BEGIN:VCALENDAR VERSION:2.0 PRODID:-//CERN//INDICO//EN BEGIN:VEVENT SUMMARY:Insights into doped trirutiline structures gained through neutron diffraction DTSTART;VALUE=DATE-TIME:20201112T065900Z DTEND;VALUE=DATE-TIME:20201112T070000Z DTSTAMP;VALUE=DATE-TIME:20260419T085827Z UID:indico-contribution-125-3919@events01.synchrotron.org.au DESCRIPTION:Speakers: Sneh Patel (University of Auckland)\nMetal oxides of formula MSb$_2$O$_6$ have garnered widespread interest in materials scien ce research as they prove to be promising materials as semiconductor photo catalysts and ionic conductors. [1] Many of these compounds (e.g. M = Co\, Zn\, Ni\, Fe etc.) are known to crystallize in a tetragonal trirutile pha se [2]\, although CuSb$_2$O$_6$ is known to exhibit a monoclinic distortio n. [3] We are investigating several ternary compounds with general formula AB$_2$O$_6$\, with substitutional doping of A (Cu$_{1-x}$Ni$_x$Sb$_2$O$_6 $) and B (ZnSb$_{2-x}$Sn$_x$O$_6$). \n\nPreliminary results have shown us that these materials show promising behavior as mixed ionic conductors due to oxygen vacancies being created through the substitutional doping. Thes e were confirmed through neutron diffraction experiments conducted at the Australian Centre for Neutron Scattering. An unexpected mixed occupation o f M/Sb positions was also revealed in these experiments. \n\nReferences\n[ 1] Singh\, J.\, Bhardwaj\, N.\, Uma\, S.\, Bull. Mater. Sci.\, (2013)\, 36 \, 287\n[2] Nikulin\, AY\, Zvereva EA\, Nalbandyan VB\, et al.\, Dalton Tr ans (2017)\, 46\, 6059\n[3] Kang H.B.\, PhD thesis\, University of Aucklan d (2017)\n\nhttps://events01.synchrotron.org.au/event/125/contributions/39 19/ LOCATION:Online Event URL:https://events01.synchrotron.org.au/event/125/contributions/3919/ END:VEVENT BEGIN:VEVENT SUMMARY:4d Transition-Metal Substitution into magnetically frustrated A1B3 Si2Sn7O16 structures DTSTART;VALUE=DATE-TIME:20201112T065900Z DTEND;VALUE=DATE-TIME:20201112T070000Z DTSTAMP;VALUE=DATE-TIME:20260419T085827Z UID:indico-contribution-125-3918@events01.synchrotron.org.au DESCRIPTION:Speakers: Joseph Vella (The University of Auckland)\nIncludes an overview of the A1B3Si2Sn7O16 (A=Fe\, B=Fe\,Mn) structural family and i t's bi-layered structure\, containing both a magnetically frustrated oxide layer and a non-magnetic FeSn6 cluster layer. It then covers the substitu tion of Fe with Ru in cluster layer and the effect this has on it's magnet ic structure\, analysed using NPD\, with comparison to the effect of other substitution schemes that have been performed on different structural sit es.\n\nhttps://events01.synchrotron.org.au/event/125/contributions/3918/ LOCATION:Online Event URL:https://events01.synchrotron.org.au/event/125/contributions/3918/ END:VEVENT BEGIN:VEVENT SUMMARY:A structural and magnetic investigation of the skyrmion host mater ial doped Cu2OSeO3 DTSTART;VALUE=DATE-TIME:20201112T065900Z DTEND;VALUE=DATE-TIME:20201112T070000Z DTSTAMP;VALUE=DATE-TIME:20260419T085827Z UID:indico-contribution-125-3917@events01.synchrotron.org.au DESCRIPTION:Speakers: Rosanna Rov (University of Auckland)\nA skyrmion is a topologically protected particle-like magnetic spin structures on the or der of 10-100 nm. Recent studies have also shown that the skyrmions can be manipulated through applications such as an external electric fields and heat. This offers the potential for development for a much more stable\, e nergy efficient and faster storage in memory devices. The magnetic skyrmio ns pack into a hexagonal lattice with the skyrmion lattice only stable in a narrow magnetic field-temperature range.$^1$$^-$$^2$ Here we present str uctural analysis of Cu$_2$OSeO$_3$ and Te-doped Cu$_2$OSeO$_3$ using neutr on and x-ray diffraction. A magnetic field-temperature phase diagram mappi ng of both Cu$_2$OSeO$_3$ and Te-doped Cu$_2$OSeO$_3$ was also achieved us ing small angle neutron scattering. Mapping of the magnetic field-temperat ure phase diagram showed that tellurium doping resulted in an enlarged sta bility range for the skyrmion phase had been achieved.$^3$\n\n1. Seki\, S. \; Kim\, J.-H.\; Inosov\, D.\; Georgii\, R.\; Keimer\, B.\; Ishiwata\, S.\ ; Tokura\, Y.\, Formation and rotation of skyrmion crystal in the chiral-l attice insulator Cu$_2$OSeO$_3$. Physical Review B 2012\, 85 (22)\, 220406 .\n2. Fert\, A.\; Reyren\, N.\; Cros\, V.\, Magnetic skyrmions: advances i n physics and potential applications. Nature Reviews Materials 2017\, 2\, 17031.\n3. R. Rov\; The Effect of Tellurium Doping on the Skyrmion Hostin g Multiferroic Material Cu$_2$OSeO$_3$. Masters Thesis\, University of Auc kland 2019\n\nhttps://events01.synchrotron.org.au/event/125/contributions/ 3917/ LOCATION:Online Event URL:https://events01.synchrotron.org.au/event/125/contributions/3917/ END:VEVENT BEGIN:VEVENT SUMMARY:Synthesis of New Cuprate’s through High Pressure Chemical Vapour Transport DTSTART;VALUE=DATE-TIME:20201112T065900Z DTEND;VALUE=DATE-TIME:20201112T070000Z DTSTAMP;VALUE=DATE-TIME:20260419T085827Z UID:indico-contribution-125-3916@events01.synchrotron.org.au DESCRIPTION:Speakers: Martin Spasovski (University of Auckland)\nChemical vapour transport (CVT) reactions has allowed for the growth of many inorga nic single crystals which would be difficult or completely impossible to g row using alternative methods like flux related methods or from congruent melt. Most CVT reactions are done in evacuated and sealed quartz tubes whe re the internal pressure is typically in the range from 1 to 1^10-3¬ bar where diffusion is the dominant contributor to transport kinetics.[1] Diff usion limited transport is preferred over convective transport because it minimises nucleation\, favouring the growth of larger single crystals with fewer defects. \n\nMany metal oxides are simply not thermodynamically sta ble under these conditions making it difficult to transport and crystallis e the desired phase or composition. We have found this to be the case for many cuprates with the braunite\, parwelite and various Cu3TeO6 related st ructures. To circumvent this limitation we have explored the unconventiona l high pressure CVT (HPCVT) method. As a result of these experiments we ha ve been able to successfully grow and solve the structures of single cryst als of new polymorphs and structures\, this includes Cu5Sb2SiO12\, Cu4MnSb 2SiO12\, Cu2GaSbO6 and Cu3Ga3SbSiO12. Samples have been characterised by X -ray and neutron diffraction and magnetic susceptibility measurements. The se structures exhibit exotic gallium and copper coordination environments making them suitable candidates for studying various magnetic phenomena. \ n\nHPCVT is a useful method not only for the growth of new inorganic compo unds but also as an alternative\, environmentally friendly method for grow ing known structures. Under pressure\, water seems to be a major contribut or to the transport reaction making it possible to grow samples without a reliance on halogens or commonly used salts like HgBr or TeCl4. Since the transport rates are high as a result of greater convective currents\, a si gnificantly smaller temperature gradient is necessary to conduct the exper iments making much simpler experimental designs possible and accessible wi thout the need for multi-zone furnaces. \n\n\n[1] Binnewies\, M.\; Glaum\ , R.\; Schmidt\, M.\; Schmidt\, P. Chemical Vapor Transport Reactions. 201 2.\n\nhttps://events01.synchrotron.org.au/event/125/contributions/3916/ LOCATION:Online Event URL:https://events01.synchrotron.org.au/event/125/contributions/3916/ END:VEVENT BEGIN:VEVENT SUMMARY:Hyaluronic acid-poloxamer thermosensitive hydrogels studied by Sma ll-Angle Neutron Scattering (SANS) and rheology: from nanostructure to bio medical applications DTSTART;VALUE=DATE-TIME:20201111T223000Z DTEND;VALUE=DATE-TIME:20201111T224200Z DTSTAMP;VALUE=DATE-TIME:20260419T085827Z UID:indico-contribution-125-3914@events01.synchrotron.org.au DESCRIPTION:Speakers: Anderson Ferreira Sepulveda (Federal University of A BC)\nPoloxamer (P)-based hydrogels have been used as drug carrier due to i ts low toxicity and ability to control drug release\, mainly due to their ability to self-assemble in micelles and supramolecular structures with di fferent phase organizations in response to physiological temperature and additives such as drugs\, salts and other polymers. These features favor t heir parenteral administration associated to hyaluronic acid (HA) for impr oving hydrogels mechanical properties and to develop biocompatible formula tions. Hydrogels formulations with P407 (15% or 30% w/w)\, HA (0.5% w/w) a nd the local anesthetics ropivacaine (RVC) or bupivacaine (BVC) (0.5% w/w) \, isolated or in binary systems with P338 (P407 15% + P338 15%)\, were pr epared in D2O and measured in V16 SANS (HZB\, Berlin-Germany) at 25 °C\, 37 °C and 40 °C. For rheological analysis\, samples were analyzed agains t frequency sweep and temperature interval from 10 to 50 °C to determine viscous (G’)\, elastic (G”) moduli and sol-gel transition temperature (Tsol-gel). SANS results revealed all P407 15% systems were organized as l amellar structures\, with decreased lattice parameters according to temper ature increase. P407 30% and P407 15% + P407 15% samples present cubic and hexagonal structures\, indicating both phases organization coexistence. S ANS data showed that BVC decreased the lattice parameter in 3 % after inco rporation into P407 30%\, and 6% in P407 30% + HA at three temperatures. A s BVC is more hydrophobic than RVC\, it is probably maintained inside mice llar hydrophobic core and expelling water molecules\, resulting in a stabl e structure even at 40 °C. For P407 30% samples\, HA decreased in 3% the lattice parameter at 25 °C but presented increased particle sizes (10 nm) . Possibly\, HA hydrophilic chains act as scaffolds around P407 supramolec ular aggregates\, stabilizing their phase organization. For binary systems \, no structural changes were observed\, since for P407 15% + P338 15% hyd rogels showed similar lattice parameter to P407 30%. Whereby P338 is more hydrophilic than P407\, with a longer polyethylene oxide hydrophilic chain s\, is possible to form highly hydrated gel structure. These structural di fferences result from the material properties: the presence of drugs RVC o r BVC in P407 30% did not shift the Tsol-gel (~22 to 23°C)\, but increase d the G’/G’’ relationship from 31 to 47-fold\, which shows enhanced structural interaction among polymeric chains. HA\, on the contrary\, redu ced the Tsol-gel value until ~21 °C and increased G’/G’’ to 38-fold when incorporated to P407 30%. P407 15% + P338 15% system displayed high Tsol-gel (~28 °C) and G’/G’’ (x40) values. Therefore\, as it is see n in our work\, the addition of additives can promote mechanical and struc tural changes\, enabling the design of the best supramolecular structure a nd mechanical properties for controlling drug release kinetics.\n\nFinanci al Support: Coordenação de Aperfeiçoamento de Pessoal de Nível Superio r (CAPES\, Finance Code 001 and CAPES-PRINT - 88887.368001/2019-00)\n\nhtt ps://events01.synchrotron.org.au/event/125/contributions/3914/ LOCATION:Online Event URL:https://events01.synchrotron.org.au/event/125/contributions/3914/ END:VEVENT BEGIN:VEVENT SUMMARY:Neutron scattering unravels the structure of tunable fibrin networ ks DTSTART;VALUE=DATE-TIME:20201112T065900Z DTEND;VALUE=DATE-TIME:20201112T070000Z DTSTAMP;VALUE=DATE-TIME:20260419T085827Z UID:indico-contribution-125-3716@events01.synchrotron.org.au DESCRIPTION:Speakers: Zhao Wang (Australian Institute for Bioengineering a nd Nanotechnology)\nThree-dimensional (3D) in vitro cell culture in natura l hydrogels has shown promising results in tissue engineering and biophysi cs as it mimics the native extracellular matrix [1]. However\, compared to biosynthetic materials\, the often uncontrollable and unstable structural and mechanical properties of natural hydrogels have hindered their wide u se. Fibrin is a natural fibrous material that has drawn much interest in t issue engineering and has been employed as a scaffold for 3D cell culture because of its inherent advantages. Yet\, the batch-to-batch variation\, r apid degradation\, uncontrollable structural and mechanical properties are the main shortcomings [2]. \nTo overcome these shortcomings\, we have est ablished a new well-defined fibrin network with tuneable architecture and mechanical properties by employing two potent recombinant snake venom prot eins. Firstly\, a Procoagulant Snake Venom Protein (PSVP)\, which rapidly activates the thrombin precursor prothrombin\, is employed for fibrin netw ork formation\; a second recombinant snake venom protein\, Anti-fibrinolyt ic Snake Venom Protein (ASVP) is also utilized to control the fibrin degra dation. Initially\, confocal laser scanning fluorescence microscopy (CLSM) was employed to characterize the micro-scale structural properties. Howev er\, while CLSM can provide detailed information about the network structu re\, the optical resolution of CLSM is not sufficient to visualize the int ernal structure of individual fibers. Moreover\, the fluorophores that are required for the detection can potentially interfere with the fibrin poly merization. \nTherefore\, we utilised combined small angle neutron scatter ing (SANS) and ultra-small angle neutron scattering (USANS) techniques to characterize and verify our new defined fibrin network system including in ternal structure of the individual fibres and the structure of the fibrin networks [3]. \nThe combined SANS and USANS data of fibrin networks reveal ed details of the hierarchical structure at multiple length scales associa ted with the network\, fibres and internal proto-fibrils\, previously not accessible by CLSM\, especially in the case of internal fibre structure. T his data is key for correlating the network structure and the mechanical p roperties\, which are fundamental for cellular responses including cell pr oliferation\, migration and differentiation.\n\nhttps://events01.synchrotr on.org.au/event/125/contributions/3716/ LOCATION:Online Event URL:https://events01.synchrotron.org.au/event/125/contributions/3716/ END:VEVENT BEGIN:VEVENT SUMMARY:Magnetic Structure and Magnetocaloric Properties of LaMn2Ge2 DTSTART;VALUE=DATE-TIME:20201112T065800Z DTEND;VALUE=DATE-TIME:20201112T065900Z DTSTAMP;VALUE=DATE-TIME:20260419T085827Z UID:indico-contribution-125-3707@events01.synchrotron.org.au DESCRIPTION:Speakers: S J 2 Campbell (UNSW Canberra )\nThe extensive set of ternary intermetallic RMn2X2 compounds (R = rare earth\, T = transitio nal metal\, X = Ge or Si) have been investigated extensively in the past f ew decades due to their interesting range of physical properties [e.g. 1-3 ]. Recently\, significant attention has been paid to the magnetocaloric ef fect (MCE) of RMn2X2 compounds for their potential application in magnetic refrigeration. Their MCE properties are important as RMn2X2 compounds en able a wide range of structural and magnetic behaviours and related transi tions to be controlled via substitution of R\, Mn\, and X atoms on the 2a\ , 4d\, and 4e sites respectively [e.g. 4-7]. \nWe have carried out a det ailed investigation of the LaMn2Ge2 compound using neutron diffraction and magnetic measurements\, focusing on the magnetic behaviour of the Mn-subl attice. With decreasing temperature\, the magnetic state changes from par amagnetism to incommensurate canted antiferromagnetism AFfs at TN ~ 360 K and then gives way to incommensurate canted ferromagnetism Fmi below TC ~ 323 K. No obvious magnetoelastic coupling were detected from refinement o f the variable neutron diffraction patterns (5 K - 450 K) while detailed a nalyses of magnetic data indicate that the magnetic phase transition is se cond order. Under magnetic field changes of 2 T and 8 T\, the maximum valu es of the magnetic entropy change (-DELTASM max) around TC reach 1.65 J/kg K and 4.42 J/kg K\, respectively. \n \nReferences\n1. Dincer I\, Elmali A \, Elerman Y\, Ehrenberg H\, Fuess H\, Isnard O. Neutron diffraction study of the magnetic structures of PrMn2-xCoxGe2 (x=0.4\, 0.5 and 0.8) with a new refinement procedure. J Phys-Condes Matter. 2004\;16(12):2081-91. \n2. Gerasimov EG\, Kanomata T\, Gaviko VS. Interrelation between electronic s tructure and interatomic distances for RMn2X2 compounds. Physica B-Condens ed Matter. 2007\;390(1-2):118-23. \n3. Wang JL\, Kennedy SJ\, Campbell SJ\ , Hofmann M\, Dou SX. Phase gap in pseudoternary R1-yRy ' Mn2X2-xXx ' comp ounds. Phys Rev B. 2013\;87(10):5. \n4. Li LW\, Nishimura K\, Hutchison WD \, Qian ZH\, Huo DX\, NamiKi T. Giant reversible magnetocaloric effect in ErMn2Si2 compound with a second order magnetic phase transition. Appl Phys Lett. 2012\;100(15):4. \n5. Din MFM\, Wang JL\, Campbell SJ\, Zeng R\, Hu tchison WD\, Avdeev M\, et al. Magnetic properties and magnetocaloric effe ct of NdMn2-xTixSi2 compounds. Journal of Physics D-Applied Physics. 2013\ ;46(44):11. \n6. Kennedy S\, Wang JL\, Campbell S\, Hofmann M\, Dou SX. Pr essure induced magneto-structural phase transitions in layered RMn2X2 comp ounds (invited). Journal of Applied Physics. 2014\;115(17):6\n7. Li GX\, W ang JL\, Cheng ZX\, Ren QY\, Fang CS\, Dou SX. Large entropy change accomp anying two successive magnetic phase transitions in TbMn2Si2 for magnetic refrigeration. Appl Phys Lett. 2015\;106(18):5\n\nhttps://events01.synchro tron.org.au/event/125/contributions/3707/ LOCATION:Online Event URL:https://events01.synchrotron.org.au/event/125/contributions/3707/ END:VEVENT BEGIN:VEVENT SUMMARY:KOOKABURRA\, THE ULTRA-SMALL-ANGLE NEUTRON SCATTERING INSTRUMENT A T ANSTO DTSTART;VALUE=DATE-TIME:20201112T065700Z DTEND;VALUE=DATE-TIME:20201112T065800Z DTSTAMP;VALUE=DATE-TIME:20260419T085827Z UID:indico-contribution-125-3673@events01.synchrotron.org.au DESCRIPTION:Speakers: Liliana de Campo (ANSTO)\, Jitendra Mata (ANSTO)\nTh e double-crystal ultra-small-angle neutron scattering (USANS) diffractomet er Kookaburra at ANSTO was made available for user experiments in 2014. Ko okaburra allows the characterization of microstructures covering length sc ales in the range of 0.1–10 µm. Use of the first- and second-order refl ections coming off a doubly curved highly oriented mosaic pyrolytic graphi te pre-monochromator at a fixed Bragg angle\, in conjunction with two inte rchangeable pairs of Si(111) and Si(311) quintuple-reflection channel-cut crystals\, permits operation of the instrument at two individual wavelengt hs\, 4.74 and 2.37 Å. This unique feature among reactor-based USANS instr uments allows optimal accommodation of a broad range of samples\, both wea kly and strongly scattering\, in one sample setup [1\,2]. The versatility and capabilities of Kookaburra have already resulted in a number of resear ch papers\, including studies on hard matter systems like rocks and coal [ 3\,4]\, as well as soft matter systems like hydrogels\, milk or worm-like micelles [5-7]. This clearly demonstrates that this instrument has a major impact in the field of large-scale structure determination. Some of the r ecent examples will be presented here. \n\n[1] C. Rehm et al\, J. Appl. Cr yst. 46 (2013) 1699-1704.\n[2] C. Rehm et al\, J. Appl. Cryst. 51 (2018) 1 -8.\n[3] T. Blach et al\, Journal of Coal Geology 186\, (2018)\, 135-144\n [4] R. Sakurovs et al\, Energy & Fuels 31(1)\, (2017)\, 231-238\n[5] J. Wh ittaker et al\, Int. J. Biol. Macromol. 114 (2018)\, 998-1007\n[6] Z. Li e t al\, Food Hydrocolloid 79\, (2018)\, 170-178.\n[7] McCoy et al.\, J. Col loid Interface Sci. 534\, (2019)\, 518-532\n\nhttps://events01.synchrotron .org.au/event/125/contributions/3673/ LOCATION:Online Event URL:https://events01.synchrotron.org.au/event/125/contributions/3673/ END:VEVENT BEGIN:VEVENT SUMMARY:Residual stress measurements for cultural heritage DTSTART;VALUE=DATE-TIME:20201113T032000Z DTEND;VALUE=DATE-TIME:20201113T034000Z DTSTAMP;VALUE=DATE-TIME:20260419T085827Z UID:indico-contribution-125-3750@events01.synchrotron.org.au DESCRIPTION:Speakers: Vladimir Luzin (ANSTO)\nThe neutron residual stress analysis can be used as a forensic method for studying non-destructively o bjects of cultural heritage. A number of case studies on ancient weaponry were collected over the period of the Cultural Heritage Project at ACNS\, ranging from the bronze age blades to more recent iron age swords. In the given presentation\, the use of the neutron diffraction method is illustra ted with these case studies together with the interpretation of the result s of stress measurements.\n\nhttps://events01.synchrotron.org.au/event/125 /contributions/3750/ LOCATION:Online Event URL:https://events01.synchrotron.org.au/event/125/contributions/3750/ END:VEVENT BEGIN:VEVENT SUMMARY:Tracking the diffusion of hydrogen rich liquids in shale rocks DTSTART;VALUE=DATE-TIME:20201112T032000Z DTEND;VALUE=DATE-TIME:20201112T033200Z DTSTAMP;VALUE=DATE-TIME:20260419T085827Z UID:indico-contribution-125-3735@events01.synchrotron.org.au DESCRIPTION:Speakers: Mohammed Siddiqui (UNSW)\nUnderstanding flow of hydr ogen rich liquids in shale rocks is critical for the recovery of unconvent ional hydrocarbon resources. The most common hydrogen rich liquids pertain ing to shale rocks are water and oil. The extensive research on water and oil flow in shale rocks has not yet been able to explain the significant u ncertainties and discrepancies in reported experimental data. Specifically \, what has perplexed the research community is that despite oil spreading more than water on shale surfaces in an inviscid medium\, its uptake by s hale pores under pure capillary forces is much less than water contrary to theoretical expectations. This causes misjudgement of shale wettability a nd the underlying physical phenomena.\nTherefore\, in this study\, we have used neutron computed tomography (CT) in combination with other experimen tal and digital rock methods to investigate water and oil flow in an organ ic-rich shale from the Beetaloo sub-basin in Northern Territory\, Australi a. The experimental techniques included\, in addition to neutron CT\, con tact angle and spontaneous imbibition tests\, X-ray CT\, and small angle X -ray scattering. We also used non-equilibrium thermodynamics to theoretica lly derive constitutive equations to support our experimental observations of configurational diffusion. \nThe results of this study indicated that the pre-existing fractures imbibe more oil than water consistent with theo ry. However\, theoretically in contrast\, the overall imbibition was highe r for water than oil. The reason for this was revealed by neutron CT to be greater water diffusion into the shale matrix (second continuum) from the fractures. It was shown that more water uptake into shale was controlled by pore size and accessibility in addition to capillary or osmotic forces i.e. the diffusion type is configurational where water molecules have easi er access to smaller pores due to their smaller molecular size compared to larger oil molecules. Thus\, even the inorganic pores which seem more oil -wet in an inviscid medium\, easily allow water molecules to pass through them compared to oil. On the other hand\, strongly oil-wet pores possessin g strong capillarity cannot even imbibe oil simply due to its large molecu lar size and physical inaccessibility to the micro-pores. A combination of neutron and x-ray CT methods revealed that different flow mechanisms are dominant in different continua of shale rocks - and that these mechanisms are dependent on the relative sizes of liquid molecules and pores. The res ults provide new insights into the previously unexplained discrepancy rega rding water and oil uptake capacity of shale rocks.\n\nhttps://events01.sy nchrotron.org.au/event/125/contributions/3735/ LOCATION:Online Event URL:https://events01.synchrotron.org.au/event/125/contributions/3735/ END:VEVENT BEGIN:VEVENT SUMMARY:The effects of Bi addition on the mechanical properties of eutecti c Sn-Ag-Cu lead-free solder alloy DTSTART;VALUE=DATE-TIME:20201113T042000Z DTEND;VALUE=DATE-TIME:20201113T043200Z DTSTAMP;VALUE=DATE-TIME:20260419T085827Z UID:indico-contribution-125-3753@events01.synchrotron.org.au DESCRIPTION:Speakers: Ayodele Olofinjana (University of the Sunshine Coast )\nSn-Ag-Cu (SAC) solders are gaining momentum as the choice of Pb free el ectrical interconnect materials because of the legislative restrictions on the use of hazardous materials in electronic devices. However\, SAC has h igh melting temperatures around 217oC. The role of Bi substitution to lowe ring solder joint processing temperatures are widely considered because of the low-temperature Sn-Bi eutectic. However\, the embrittling effects of Bi addition require clarification on the maximum limits of substitution. I n this work\, the mechanical properties of eutectic SAC with gradual Bi su bstitution up to 10wt.% Bi was followed. It is shown that fracture strengt h (σ_f) increases from 50MPa plateauing at 60MPa between 1.4 and 1.8%Bi representing the limits of solid solution strengthening. Over this substit ution range\, strain at fracture (ε_f) dropped from 30% to 10% and reduct ion in area (RA) dropped from 80% to less than 5%. The σ_f was nearly 80M Pa for 2%Bi and this increases gradually with %Bi concentration peaking at 93MPa for 7%Bi. Results of thermal analysis suggested that solidification went off eutectic after Bi concentration exceeded 2%. Using neutron diffr action techniques\, the lattice parameter measurements suggest that the so lubility limit of Bi in β Sn (in the multicomponent Sn-Ag-Cu) is about 2w t. %. The existence of Bi rich clusters was responsible for observed britt leness after 2wt.% Bi substitution. With the aid small angle neutron Scat tering (SANS) and ultra-small angle neutron scattering (USANS)\, it was fo und that the intensity changes with respect to scattering factor (Q) espe cially for high Q region when the precipitations sizes are below 12.5 nm a fter concentration exceeded 2%Bi that confirms the existence of primary n anosized Bi precipitates that starts to grow into well-defined Bi phases f or higher Bi content.\n\nhttps://events01.synchrotron.org.au/event/125/con tributions/3753/ LOCATION:Online Event URL:https://events01.synchrotron.org.au/event/125/contributions/3753/ END:VEVENT BEGIN:VEVENT SUMMARY:Defect structure-property correlations in Li doped BaTiO3 DTSTART;VALUE=DATE-TIME:20201112T223000Z DTEND;VALUE=DATE-TIME:20201112T225000Z DTSTAMP;VALUE=DATE-TIME:20260419T085827Z UID:indico-contribution-125-3741@events01.synchrotron.org.au DESCRIPTION:Speakers: Narendirakumar Narayanan (The Australian National Un iversity)\nN. Narayanan\,1\,2 Q. Lou\,3 A. Rawal\,4 T. Lu\,1 Z. Liu\,1 J. Chen\,5 J. Langley\,1 H. Chen\,5 J. Hester\,2 N. Cox\,1 H. Fuess\,6 G. J. McIntyre \,2 G. Li\,3\, D. Yu\,2\, and Y. Liu1\n\n1Research School of Chem istry\, The Australian National University\, ACT 2601\, Australia\n2Austra lian Nuclear Science and Technology Organisation (ANSTO)\, Lucas Heights N SW 2234\, Australia\n3Key Lab of Functional Materials and Devices of Chine se Academy of Sciences\, Shanghai Institute of Ceramics\, Chinese Academy of Science\, China\n4Mark Wainwright Analytical Centre\, University of New South Wales\, Sydney\, NSW 2052\, Australia\n5Centre for Advanced Microsc opy (CAM)\, The Australian National University\, ACT 2601\, Australia\n6St ructure Research Division\, Institute for Materials Science\, Darmstadt Un iversity of Technology\, 64287 Darmstadt\, Germany\n\nIn the present work we investigate the important issue of the structure and dynamics of smalle r ions in oxides and the resulting impact on its functional properties. Fo r this purpose\, we selected a 7% Li-doped BaTiO3. Li is a vital ingredien t in novel energy storage technologies such as Li-ion batteries. The small er Li-ion can influence the structural stability\, homogeneity\, local env ironment\, and dynamic behavior of the host lattice\, affecting and optimi zing the dielectric and multiferroic properties of novel polar functional materials [1-2]. However\, the Li-ion positions and dynamics in functional materials are not completely understood\, controversially discussed and a re the subject of extensive ongoing research [3]. Furthermore\, sample inh omogeneity due to Li migration to the grain boundary and/or development of multiple phases complicates the elucidation of the structure-property cor relations that may lead to incorrect interpretations [4]. The selection of BaTiO3 as the host lattice is due to materials based on this being consid ered as the alternative to the piezoelectric lead zirconate titanate\, cit ing environmental issues [5]. BaTiO3 also crystallizes in a simple perovsk ite structure and Li ions can be effectively doped into it at lower doping levels. Very recently\, field-dependent electric polarization measurement s on BaTiO3 exhibited a polarization–electric field double hysteresis lo op upon Li doping [4]. These drastic changes to the electric polarization\ , related to the doping poses a good test case for the investigation of th e Li-induced defect structure model and its influence on the functional pr operties. To elucidate the above structure-property correlations\, we comb ined several techniques\, such as neutron powder diffraction electron micr oprobe associated with the wavelength-dispersive spectroscopy\, 7Li nuclea r magnetic resonance spectroscopy (NMR)\, electron paramagnetic resonance (EPR)\, electric polarization measurement\, and theoretical calculations b ased on density functional theory [6].\n\n[1] S. Kim et al.\, Nat. Commun. 10\, 1081 (2019).\n\n[2] Y. Liu et al.\, Appl. Phys. Lett. 91\, 152907 (2 007).\n\n[3] S. Stegmaier et al.\, Chem. Mater. 29\, 4330 (2017).\n\n[4] Q . Lou et al.\, J. Am. Ceram. Soc. 101\, 3597 (2018).\n\n[5] Y. Guo et al.\ , Phys. Rev. B 83\, 054118 (2011).\n\n[6] N. Narayanan et al.\, Phys. Rev. Mater. 4\, 084412 (2020).\n\nhttps://events01.synchrotron.org.au/event/12 5/contributions/3741/ LOCATION:Online Event URL:https://events01.synchrotron.org.au/event/125/contributions/3741/ END:VEVENT BEGIN:VEVENT SUMMARY:Superconductor sandwiches DTSTART;VALUE=DATE-TIME:20201112T065600Z DTEND;VALUE=DATE-TIME:20201112T065700Z DTSTAMP;VALUE=DATE-TIME:20260419T085827Z UID:indico-contribution-125-3781@events01.synchrotron.org.au DESCRIPTION:Speakers: Ben Mallett (University of Auckland)\nMultilayers of doped Silicon are the heart of the diodes and transistors which form the basis for virtually all modern electronics. With a rapidly impending need for more energy efficient computers\, it is interesting to see what can be done with multilayers of more exotic starting materials. The superconduct or sandwiches we study are thin-film multi-layers of the high temperature superconductor YBa$_2$Cu$_3$O$_7$ and the perovskite manganite Nd$_{0.65}$ (Ca$_{0.7}$Sr$_{0.3}$)$_{0.35}$MnO$_3$. We discovered that a highly unusua l superconducting state could be induced in the YBa$_2$Cu$_3$O$_7$ by tuni ng the properties of the manganite. It remains to be determined precisely how the manganite can so radically effect the superconducting state in the adjacent layer. Here\, we discuss our current polarised neutron reflecti vity (PLATAPUS) and Bragg scattering (TAIPAN) work to investigate the role of the manganite's magnetism and magnetic ordering in causing the unusual properties of the superconductor sandwiches.\n\nhttps://events01.synchrot ron.org.au/event/125/contributions/3781/ LOCATION:Online Event URL:https://events01.synchrotron.org.au/event/125/contributions/3781/ END:VEVENT BEGIN:VEVENT SUMMARY:SANS study of Silica Aerogel as Model Material for Rock DTSTART;VALUE=DATE-TIME:20201112T065500Z DTEND;VALUE=DATE-TIME:20201112T065600Z DTSTAMP;VALUE=DATE-TIME:20260419T085827Z UID:indico-contribution-125-3704@events01.synchrotron.org.au DESCRIPTION:Speakers: Phung Nhu Hao Vu (UNSW Sydney)\nUnconventional hydro carbon resources have been of large interest in recent years\, hence\, the re are greater needs for more accurate estimations of gas reserve in the r eservoirs. Although researchers use the SANS technique to investigate open and closed porosity in rocks routinely\, the effects of nanopore condensa tion is not well understood. This study investigates the behavior of deute rated methane (CD4) in the nanopore at different gas pressures using SANS. Silica aerogel was chosen as the sample for this study due to the assumed similarity in its composition to sandstone which mainly consists of quart z. However\, the aerogel is a synthetic material with a totally opened por e structure and the lack of impurities\, which prevents other factors from affecting the interaction between CD4 and the pores. We plan to use the a erogel result to work on a model of methane condensation in nanopores whic h then can be used to evaluate the extent of this phenomenon in real rocks . We also show how the application of contrast matching measurements revea led the pore structure of the aerogel we studied at larger scales where th e features of the aerogel matrix were not as expected and were limited to certain sizes rather than exhibiting a fractal behavior found in previous SANS measurements of aerogels.\n\nhttps://events01.synchrotron.org.au/even t/125/contributions/3704/ LOCATION:Online Event URL:https://events01.synchrotron.org.au/event/125/contributions/3704/ END:VEVENT BEGIN:VEVENT SUMMARY:TBAB semi-clathrates studied by Quasi Elastic Neutron Scattering ( QENS) using Emu\, the high resolution backscattering spectrometer at ANSTO DTSTART;VALUE=DATE-TIME:20201112T065400Z DTEND;VALUE=DATE-TIME:20201112T065500Z DTSTAMP;VALUE=DATE-TIME:20260419T085827Z UID:indico-contribution-125-3699@events01.synchrotron.org.au DESCRIPTION:Speakers: Alice Klapproth (ANSTO)\nPotential applications for gas hydrates include gas purification\, water desalination\, and CO2 captu re that is possibly combined with methane extraction. All of these rely on the high selectivity of the guest gas molecules in hydrates. It has been shown\, that the addition of TBAB (i.e. Tetra-n-butyl ammonium bromide) so ftens the thermodynamic conditions of gas hydrate formation without compro mising the CO2 selectivity\, a substantial benefit in reducing the carbon output from existing fossil-fuel power plants.\n\nThe hydrate structure fo rmed using TBAB is known as a semi-clathrate which differs from the more c ommon clathrate structures that are formed from pure water and gas. For co mmon clathrate structures (sI\, sII\, or sH) only the gas molecules are en trapped in the cavities of the water structure. Semi-clathrates generally crystallize into two structure types known as type A and B.The Br-anion of TBAB participates to the water molecule framework\, while the tetra n-but yl cation is located at the center of 4 large cages. Additional smaller ca vities are available for the enclathration of gas molecules. It has been s hown recently that these cavities are distorted by the inclusion of guest molecules like CO2 (Muromachi et al.\, 2014).\n\nWe present here our first quasi-elastic neutron scattering (QENS) results for TBAB semi-clathrates formed with type A and B using the EMU backscattering spectrometer at ANST O. This technique is well suited to studying the libration of the butyl ch ains confined within the host cages\, and how the slow dynamics changes wi th the enclathration of CO2 molecules. Neutron diffraction was applied on the same samples in order to confirm their crystallographic structure. \n\ nQENS measurements are highly sensitive to hydrogen (H) atoms while being very insensitive to the deuterated (D) atoms. As well\, the method is also insensitive to the dynamics of CO2 molecules. We use these characteristic s to suppress scattering from the water framework by making it from D2O ra ther than H2O. As a result\, only the dynamics of the n-butyl chains are o bserved. Early results suggest the interaction of the CO2 molecules with t he mobile butyl chains is key to the improved selectivity of TBAB semi-cla thrates.\n\n\nReferences:\nS. Muromachi\, K.A. Udachin\, K. Shin\, S. Alav i\, I.L. Moudrakovski\, R. Ohmura\, J.A. Ripmeester\, Guest-induced symmet ry lowering of an ionic clathrate material for carbon capture\, Chem. Comm un. 50 (2014) 11476–11479\n\nhttps://events01.synchrotron.org.au/event/1 25/contributions/3699/ LOCATION:Online Event URL:https://events01.synchrotron.org.au/event/125/contributions/3699/ END:VEVENT BEGIN:VEVENT SUMMARY:Progress with Hot Commissioning and First User Experiments on the SPATZ Neutron Reflectometer DTSTART;VALUE=DATE-TIME:20201112T065300Z DTEND;VALUE=DATE-TIME:20201112T065400Z DTSTAMP;VALUE=DATE-TIME:20260419T085827Z UID:indico-contribution-125-3868@events01.synchrotron.org.au DESCRIPTION:Speakers: Tzu-Yen Huang ()\nThe SPATZ neutron reflectometer wa s originally the V18 BioRef reflectometer at the BER-II Research Reactor ( Berlin\, Germany) [1\, 2]\, and was transferred from HZB to ANSTO ownershi p during October 2016 to February 2017. The reflectometer was re-installed at ANSTO’s 20 MW OPAL Research Reactor in the Neutron Guide Hall on the end position of the newly installed CG2B cold-neutron guide. The hot comm issioning licence was issued in October 2018 with first neutrons in Novemb er 2018. Radiation surveys and shielding improvements were completed in Ma y 2019. Since this time\, hot commissioning has continued and has involved evaluating the performance of the instrument. SPATZ is a time-of-flight i nstrument\, and the ability to translate chopper 2 makes the instrument hi ghly configurable with the ability to select a time resolution from 1 to 1 2 %. A number of different sample environments have been tested including: solid-liquid cells with a HPLC pump for solvent contrast exchange\, circu lating water baths for temperature control\, and the infrared spectrometer for simultaneous neutron reflectometry and ATR-FT-IR spectroscopy. The op erating license was issued in December 2019\, and first experiments are sc heduled for the last quarter of 2020. SPATZ is now available for user prop osals in the ACNS portal [3]. This presentation will highlight the instrum ent performance and achievements during hot commissioning and give an over view of the user program to date and first data collected. \n[1] M. Strobl et al.\, *Rev. Sci. Instrum.* **82\,** 055101 (2011) \n[2] M. Trap p et al.\, *Rev Sci. Instrum.* **87\,** 105112 (2016) \n[3] https://neutro n.ansto.gov.au/\n\nhttps://events01.synchrotron.org.au/event/125/contribut ions/3868/ LOCATION:Online Event URL:https://events01.synchrotron.org.au/event/125/contributions/3868/ END:VEVENT BEGIN:VEVENT SUMMARY:Topological barrier for skyrmion lattice formation in MnSi DTSTART;VALUE=DATE-TIME:20201112T065200Z DTEND;VALUE=DATE-TIME:20201112T065300Z DTSTAMP;VALUE=DATE-TIME:20260419T085827Z UID:indico-contribution-125-3778@events01.synchrotron.org.au DESCRIPTION:Speakers: Allan Leishman (Department of Physics\, University o f Notre Dame)\nWe report the observation of a topological skyrmion energy barrier through a hysteresis of the skyrmion lattice in the prototypi cal helimagnet MnSi. Measurements of the energy barrier were made using small-angle neutron scattering and a bespoke DC field coil to allow for high-precision hysteresis loops. Data has been analyzed using an ad apted Preisach model to quantify the energy barrier for skyrmion formation and the magnetic behavior of the sample as a whole. This analysis was the n compared with minimum-energy path analysis based on atomistic spin sim ulations to verify the topological nature of the barrier. This reveals t hat the skyrmion lattice in MnSi forms with an activation barrier of several eV and in domains that are several hundred skyrmions in size.\n\n https://events01.synchrotron.org.au/event/125/contributions/3778/ LOCATION:Online Event URL:https://events01.synchrotron.org.au/event/125/contributions/3778/ END:VEVENT BEGIN:VEVENT SUMMARY:Hydrogels with tuneable dissipation for mechanotransduction studie s DTSTART;VALUE=DATE-TIME:20201112T065100Z DTEND;VALUE=DATE-TIME:20201112T065200Z DTSTAMP;VALUE=DATE-TIME:20260419T085827Z UID:indico-contribution-125-3765@events01.synchrotron.org.au DESCRIPTION:Speakers: Badri Narayanan Narasimhan (University of Auckland\, Newzealand)\nThere is a need for the development of hydrogel substrates w ith tuneable dissipation properties for various applications such as ortho pedic load-bearing applications and scaffolds for cell culture. Tuning of stiffness and toughness by using double network gels consisting of two pol ymer networks has been explored for such applications. However\, the mecha nical properties of such hydrogels are often hindered by swelling. Moreove r\, the development of hydrogels with stable mechanical properties and tun ing of dissipation in such hydrogels remains a challenge. Recently\, there has been considerable research interest in using hydrogels with tuneable loss modulus\, or dissipation properties as substrates in studies of cellu lar mechanotransduction. \n In our research\, we explored the influence o f polymerizing monomers inside a crosslinked polymer network. The second n etworks were designed to hydrogen bond with the first crosslinked polymer network. Specifically\, we used acrylic acid and tannic acid as monomers which are polymerized inside a crosslinked gel to form linear poly(acrylic acid) chains and oligomeric poly(tannic acid)\, respectively. We systemat ically studied the mechanical properties of these two gels using tensile a nd compression tests. The hydrogels exhibited high stiffness and toughness \, and the results can be attributed to the density of the hydrogen bonds between the polymers in the gel. As a proof of concept\, we tested the pos sibility of producing gels with tuneable loss modulus without significant variations in the storage modulus by polymerizing the monomers under a pri nted UV mask. The obtained mechanical properties were studied using rheolo gy. Finally\, we tested the stability of such gels in cell culture conditi ons (37 °C\, PBS). We envisage that such hydrogel substrates will be help ful in studying cells’ responses to different levels of loss modulus and loss modulus gradients. In future work\, we plan to attach adhesion ligan ds on such substrates and investigate the combined effect of mechanical pr operties and ligand density on mechanotransduction.\n\nhttps://events01.sy nchrotron.org.au/event/125/contributions/3765/ LOCATION:Online Event URL:https://events01.synchrotron.org.au/event/125/contributions/3765/ END:VEVENT BEGIN:VEVENT SUMMARY:Bottom-up fabrication of magnonic crystals utilizing polyoxometala tes and block copolymers DTSTART;VALUE=DATE-TIME:20201112T065000Z DTEND;VALUE=DATE-TIME:20201112T065100Z DTSTAMP;VALUE=DATE-TIME:20260419T085827Z UID:indico-contribution-125-3763@events01.synchrotron.org.au DESCRIPTION:Speakers: Clyde Daniel (University of Auckland)\nMagnonics is a new and emerging field of nanoscale science and technology. The goal of being able to produce magnonic devices is driven by the increasing needs o f efficiency and speed of the technological devices our society thrives on . With the increase of energy consumption in the continuously advancing mo dern age\, there needs to be ways in which energy is able to be produced e ither more sustainably\, or the current processes need to be made more eff icient. Spin-waves\, otherwise known as magnons (hence the term magnonics) \, are generated when a magnetic disturbance is introduced into a spin-ali gned material. This causes the aligned electron spins to precess\, which i n turn generates a detectable signal. Current data storage sites require a large energy consumption dedicated to cooling\, and are often held in low temperature areas like the Arctic circle due to the high amounts of heat that are given off by electronic devices\; in theory\, magnonics has the p otential to minimise the effects of heat since they are low energy systems . \nTo transport magnons in a controlled manner\, spin-wave guides are req uired to direct the signal. Periodically structured magnetic materials are an important aspect in the study of magnonics as the formation of a band gap is required to control the allowed and forbidden magnonic states. It i s also important to confine the spin-wave propagation to 2 dimensions in o rder to minimise the dispersion of the spin-waves once generated. In our r esearch we are looking at using polyoxometalates as the magnetic materials and block copolymers as the structuring agents to fabricate spin-wave gui des. Polyoxometalates were chosen as they are a promising candidate for ma gnonic wave guides\, exhibiting structural and magnetic diversity. \nIn t his work\, we have used an amphiphilic block copolymer\, poly(styrene-bloc k-N-4\, methyl vinylpyridine methyl iodide)\, to encapsulate polyoxometala te clusters in micelles. The highly anionic polyoxometalate species are ab le to undergo an ionic exchange reaction with the positively charged block of the block copolymer. We have demonstrated that the POMs used can bind to the block copolymer and form uniform micelles that can be deposited as a semi-ordered array onto substrates by spin coating. The resulting mater ials and films have been characterised at various stages along the way: FT -IR and TGA have shown that the POMs have been successfully incorporated i nto the polymer and that the amount of POMs incorporated can be controlled . SQUID results have shown that the susceptibility of the POMs is retained once incorporated into the polymer matrix. Dynamic light scattering has b een used to find the optimal conditions for micelle formation with respect to both size and polydispersity. Atomic and magnetic force microscopy hav e shown that spin coating of the micelles onto a substrate forms ordered s tructuring of the micelles\, and that these micelles do in fact show magne tic signals in their cores.\n\nhttps://events01.synchrotron.org.au/event/1 25/contributions/3763/ LOCATION:Online Event URL:https://events01.synchrotron.org.au/event/125/contributions/3763/ END:VEVENT BEGIN:VEVENT SUMMARY:Observing the synthesis of a polymer brush\, molecule by molecule DTSTART;VALUE=DATE-TIME:20201112T064900Z DTEND;VALUE=DATE-TIME:20201112T065000Z DTSTAMP;VALUE=DATE-TIME:20260419T085827Z UID:indico-contribution-125-3700@events01.synchrotron.org.au DESCRIPTION:Speakers: Isaac Gresham (The University of New South Wales)\nD ensely surface-grafted polymers have attracted considerable attention due to the desirable interfacial properties that stem from both their conforma tion and anchored liquid-like state. To create these surfaces with desirab le thicknesses and grafting densities a grafting-from approach\, wherein p olymers are grown from surface-attached initiators\, must be used to assem ble the layer. The most widely used polymerisation method for grafting-fro m approaches is Atom Transfer Radical Polymerisation (ATRP)\, due to its s implicity and versatility. The structure of such a layer is understood to modulate interactions between the coated surface and its local environment \, including changes to lubrication\, adhesion or fouling by contaminants. As such\, understanding the structure of these polymer layers (including the molecular weight distribution of the substituent chains) is essential. \n\nPrior neutron reflectometry (NR) work indicates the presence of a dens e layer adjacent to the substrate\, at the base of the brush. Gel permeati on chromatography (GPC) studies and simulations of the ATRP process indica te that this layer consists of stunted polymer chains proximal to the surf ace. The alternative explanation that has been proposed is that this dense layer is made up on initiator moieties. \n\nHere we observe the growth of a surface-initiated polymerisation *in situ* with NR\; to our knowledge\, this is the first time such an experiment has been performed. We show tha t the interior layer previously observed by NR is not due to a thick initi ator layer\, but rather a dense polymer layer that is formed during the in itial stages of the polymerisation. This experiment paves the way for furt her kinetic experiments on *PLATYPUS* that seek to study the dynamic assem bly of interfaces over timescales of 10 minutes to multiple hours.\n\nhttp s://events01.synchrotron.org.au/event/125/contributions/3700/ LOCATION:Online Event URL:https://events01.synchrotron.org.au/event/125/contributions/3700/ END:VEVENT BEGIN:VEVENT SUMMARY:Koala\, a versatile single-crystal diffractometer DTSTART;VALUE=DATE-TIME:20201112T064800Z DTEND;VALUE=DATE-TIME:20201112T064900Z DTSTAMP;VALUE=DATE-TIME:20260419T085827Z UID:indico-contribution-125-3682@events01.synchrotron.org.au DESCRIPTION:Speakers: Ross O. Piltz (ACNS)\nKOALA is a versatile diffracto meter for neutron single-crystal diffraction studies on a wide range of ap plications in chemistry\, materials science and physics. Of the many user experiments published from KOALA data\, we present two case studies relate d to materials science and physics.\nThe S=½ helical-honeycomb antiferrom agnet α-Cu2V2O7 shows a broad peak in its magnetic susceptibility ∼50 K followed by an abrupt increase below 33 K\, indicative of a phase transit ion to a magnetically ordered state. Neutron diffraction reveals that S=½ Cu2+ spins are antiferromagnetically aligning with an ordered moment of 0 .93(9) μB\, predominantly along the crystallographic a axis.\nThe photovo ltaic materials MAPbX3 (MA = CH3NH3\; X = Cl\, Br\, I) are widely studied due to their high conversion efficiencies. NMR spectra indicates dynamic r eorientation of the MA ion\, suggesting tumbling within the perovskite cag e with only the amine end of the group interacting with the inorganic netw ork. Single-crystal neutron diffraction was used to refinement all three s tructures for comparison. In each case\, the MA group is disordered and su rrounded by halogen ions with anisotropic displacement ellipsoids. However \, for the Br and Cl structures small anomalies were observed in the proba bility density of the lead ions\, possibly indicating a ferroelectric-like behaviour or a subtle difference in symmetry.\n\nhttps://events01.synchro tron.org.au/event/125/contributions/3682/ LOCATION:Online Event URL:https://events01.synchrotron.org.au/event/125/contributions/3682/ END:VEVENT BEGIN:VEVENT SUMMARY:Upgrades to the Kowari sample positioning system DTSTART;VALUE=DATE-TIME:20201112T064700Z DTEND;VALUE=DATE-TIME:20201112T064800Z DTSTAMP;VALUE=DATE-TIME:20260419T085827Z UID:indico-contribution-125-3674@events01.synchrotron.org.au DESCRIPTION:Speakers: Mark Reid (ANSTO)\nThis poster will highlight some r esent additions to improving the spatial positioning of samples on the Kow ari instrument for residual stress measurement. This includes cross laser reference point positioning at both 45 and minus 45 degree to the primary beam. In addition the new ATOS GOM structured light scanning system will b e described with a brief description on how this may allow live sample tra cking to allow for in-situ positioning error correction.\n\nhttps://events 01.synchrotron.org.au/event/125/contributions/3674/ LOCATION:Online Event URL:https://events01.synchrotron.org.au/event/125/contributions/3674/ END:VEVENT BEGIN:VEVENT SUMMARY:Advancements in the provision of Deuterated Lipids for Neutron app lications from the National Deuteration Facility DTSTART;VALUE=DATE-TIME:20201112T043500Z DTEND;VALUE=DATE-TIME:20201112T045500Z DTSTAMP;VALUE=DATE-TIME:20260419T085827Z UID:indico-contribution-125-3738@events01.synchrotron.org.au DESCRIPTION:Speakers: Rao Yepuri (Australian Nuclear Science and Technolog y Organisation)\nMolecular deuteration significantly increases the options for structure-function investigations using neutron scattering and diffra ction techniques. Chemical deuteration activities\, where catalysed 1H/2H exchange is followed by custom chemical synthesis\, have led to diverse ne utron scattering and reflectometry studies previously hampered by the lack of appropriate scattering contrast in multi-component samples. Deuteratio n of phospholipids is a common practice to elucidate membrane structure\, dynamics and function\, by providing selective visualisation in neutron sc attering. Although analogous deuterium‐ (2H) and hydrogen‐containing ( 1H) molecules have similar physicochemical properties\, these isotopes of hydrogen result in vastly different for neutron scattering signals. Over t he past few years the National Deuteration Facility (ANSTO) has increased its synthetic capability to produce complex deuterated molecules including lipids and phospholipids. Such synthetically challenging molecules are pe rdeuterated phytantriol1\, tail deuterated POPC\, and perdeuterated POPC.2 Phytantriol is an interfacially-active lipid that is chemically robust\, non-digestible and forms particles with internal bicontinuous cubic phase structures (cubosomes) when dispersed with non-ionic surfactants at physio logical temperatures.\nThe tail-deuterated POPC\, perdeuterated POPC and t ail-deuterated GMO isotopologues would also provide suitable contrast for many neutron experiments and so these have been also our synthetic targets . Recently neutron reflection was employed to investigate the impact of ph ospholipid saturation (POPC-d64) and presence of cholesterol in cell model membranes on LDL and HDL lipid exchange and removal processes.3 Neutron r eflection data that distinguish the effect of phospholipid acyl chain satu ration and the presence of cholesterol on the ability of lipoproteins to e xchange lipids to/from model membrane will be presented.\n\nReverences:\n (1) Yepuri\, N. R.\; Clulow\, A. J.\; Prentice\, R. N.\; Gilbert\, E. P.\; Hawley\, A.\; Rizwan\, S. B.\; Boyd\, B. J.\; Darwish\, T. A. J. Colloid Interface Sci. 2019\, 534\, 399.\n (2) Yepuri\, N. R.\; Darwish\, T. A.\; Krause-Heuer\, A. M.\; Leung\, A. E.\; Delhom\, R.\; Wacklin\, H. P.\; Hol den\, P. J. ChemPlusChem 2016\, 81\, 315.\n (3) Waldie\, S.\; Sebastiani\, F.\; Browning\, K.\; Maric\, S.\; Lind\, T. K.\; Yepuri\, N.\; Darwish\, T. A.\; Moulin\, M.\; Strohmeier\, G.\; Pichler\, H.\; Skoda\, M. W. A.\; Maestro\, A.\; Haertlein\, M.\; Forsyth\, V. T.\; Bengtsson\, E.\; Malmste n\, M.\; Cárdenas\, M. Biochimica et Biophysica Acta (BBA) - Molecular an d Cell Biology of Lipids 2020\, 1865\, 158769.\nKeywords: Deuteration\, ne utron reflectivity\, contrast variation\nSubmission for ■ oral or □ poster presentation\n\nhttps://events01.synchrotron.org.au/event/125/cont ributions/3738/ LOCATION:Online Event URL:https://events01.synchrotron.org.au/event/125/contributions/3738/ END:VEVENT BEGIN:VEVENT SUMMARY:Competitive specific ion effects: A neutron reflectometry study of thermoresponsive polymer brushes in mixed electrolytes DTSTART;VALUE=DATE-TIME:20201112T010500Z DTEND;VALUE=DATE-TIME:20201112T011700Z DTSTAMP;VALUE=DATE-TIME:20260419T085827Z UID:indico-contribution-125-3730@events01.synchrotron.org.au DESCRIPTION:Speakers: Hayden Robertson (University of Newcastle)\nSpecific ion effects are phenomena that depend on the identity of ions present in a system\, and not merely their valence or concentration. For example\, th e Hofmeister series orders ions on their ability to either stabilise (salt ing-in ions) or destabilise (salting-out ions) proteins and is vital in bi ochemistry.[1] In recent years\, polymer brushes\, which consist of end-te thered polymer chains to a substrate\, have been used as exemplar systems to investigate specific ion effects.[2] The effective solvent quality infl uences the conformation of these brushes (collapsed or expanded)\, which i s directly linked to application properties (e.g. switchable adhesion and self-cleaning). We have performed a significant body of work on brush conf ormation in single salt electrolytes.[2-4] However\, our understanding of the influence that mixed electrolytes have on the behaviour of polymer bru shes is currently limited\, which is necessary for real-world applications . Here\, we present the behaviour of poly(ethylene glycol) methyl ether me thacrylate (POEGMA) brushes in a variety of both pure and mixed electrolyt es\, as studied with neutron reflectometry. Reflectometry allows for the e xtraction of volume fraction profiles\, which can provide detailed informa tion regarding the influence of ion specificity on polymer brush conformat ion. Consistent results were also obtained from other techniques\, such as ellipsometry\, which is used to track overall changes in brush thickness. \nIn the presence of electrolytes composed of ions from the same end of th e Hofmeister series (salting-in and salting-in or salting-out and salting- out)\, a non-monotonic concentration-dependent influence of the two ions w as observed. The specific ion effects imparted by two salting-in ions were dependent on the influence of the ions with the polymer chains. In contra st\, the impact of two salting-out ions was dependent on the available sol vent molecules. In the presence of electrolytes composed of ions from oppo site ends of the Hofmeister series (salting-in and salting-out)\, ion beha viour was observed to be temperature-dependent.[3] Much can be gained by i mproving our knowledge of ion specificity and understanding the subtle str uctural changes of a brush are essential in order to unravel the dominant drivers behind specific ion effects.\n\n[1] W. Kunz\, J. Henle and B. W. Ninham\, *Curr. Opin. Colloid Interface Sci.*\, 2004\, **9**\, 19–37 .\n[2] T. J. Murdoch\, B. A. Humphreys\, J. D. Willott\, S. W. Presco tt\, A. Nelson\, G. B. Webber and E. J. Wanless\, *J. Colloid Interface Sc i.*\, 2017\, **490**\, 869–878.\n[3] E. C. Johnson\, T. J. Murdoch\ , I. J. Gresham\, B. A. Humphreys\, S. W. Prescott\, A. Nelson\, G. B. Web ber and E. J. Wanless\, *Phys. Chem. Chem. Phys.*\, 2019\, **21**\, 4650 –4662.\n[4] T. J. Murdoch\, B. A. Humphreys\, J. D. Willott\, K. P. Greg ory\, S. W. Prescott\, A. Nelson\, E. J. Wanless and G. B. Webber\, *Macro molecules*\, 2016\, **49**\, 6050–6060.\n\nhttps://events01.synchrotron. org.au/event/125/contributions/3730/ LOCATION:Online Event URL:https://events01.synchrotron.org.au/event/125/contributions/3730/ END:VEVENT BEGIN:VEVENT SUMMARY:refnx - The Next Generation of Reflectometry Analysis Software DTSTART;VALUE=DATE-TIME:20201112T064600Z DTEND;VALUE=DATE-TIME:20201112T064700Z DTSTAMP;VALUE=DATE-TIME:20260419T085827Z UID:indico-contribution-125-3788@events01.synchrotron.org.au DESCRIPTION:Speakers: Andrew Nelson (ANSTO)\nrefnx [1] is a next generatio n reflectometry analysis package\, building on its predecessor\, Motofit. In this presentation we discuss its main design features:\n\n - Bayesian statistics core with comprehensive uncertainty analyses and model selectio n ("how many layers can the data justify") [2].\n - modular construction of structural models\, ranging from a basic Slab up to freeform SLD profil es and Lipid membrane leaflets. These components are easily extensible.\n - Co-refinement of multiple contrast datasets.\n - Mixed Area models.\n - Python based with analyses performed in Jupyter notebooks or a Qt GUI.\ n\n\nrefnx is specifically designed to facilitate reproducible research. H ere we also discuss what reproducible research means in the context of a n eutron scattering study\, outlining how this is achieved with refnx\, and how these practices could (should) be taken up by neutron scatterers in ge neral.\n\n\n\n[1] Nelson\, A. R. J. & Prescott\, S. W.\nrefnx: neutron and X-ray reflectometry analysis in Python\nJournal of Applied Crystallograph y\, 2019\, 52\, 193-200\n[2] If you don't know what Bayesian statistics is and have always wondered\, you'll now find out.\n\nhttps://events01.synch rotron.org.au/event/125/contributions/3788/ LOCATION:Online Event URL:https://events01.synchrotron.org.au/event/125/contributions/3788/ END:VEVENT BEGIN:VEVENT SUMMARY:Crystal field interactions in the chiral compounds $RNi_3Ga_9$ (R = Tb\, Dy\, Ho and Er) studied by inelastic neutron scattering DTSTART;VALUE=DATE-TIME:20201112T064500Z DTEND;VALUE=DATE-TIME:20201112T064600Z DTSTAMP;VALUE=DATE-TIME:20260419T085827Z UID:indico-contribution-125-3705@events01.synchrotron.org.au DESCRIPTION:Speakers: Luís Gil (Federal University of Uberlandia\, Brazil )\, Raimundo Lora-Serrano (Federal University of Uberlandia\, Brazil)\nIn recent years\, compounds with chiral structures have attracted much attent ion mainly because of noncollinear and non-coplanar spin textures\, which have an important application in spintronics. In chiral compounds\, the la ck of inversion symmetry can give rise to an asymmetric spin interaction\, the so-called Dzyaloshinskii-Moriya interaction\, which contributes to th e symmetric exchange interaction and anisotropy effects from the crystal f ield. These interactions' coexistence can result in unusual magnetic prope rties and exotic magnetic structures with potential for many applications and novel phenomena. In this work\, we study the magnetic properties of th e chiral compounds $RNi_3Ga_9$ (R = Tb\, Dy\, Ho and Er)\, which crystaliz e in a trigonal ErNi3Al9-type structure with non-centrosymmetric space gro up R32 [1]. For this purpose\, we analyzed the inelastic neutron scatterin g (INS) spectra in powder samples at several temperatures (T) to study the crystal electric field (CEF) excitations and ground-state. The INS experi ments were performed at the SIKA beamline using the cold triple-axis spect rometer. The spectrum was analyzed at four temperatures for $ErNi_3Ga_9$ ( T = 8\, 20\, 50 and 100K) and two temperatures for $TbNi_3Ga_9$ (T = 50 an d 100K)\, $HoNi_3Ga_9$ (T = 30 and 100K) and $DyNi_3Ga_9$ (T = 50 and 100K ). Moreover\, transverse and longitudinal magnetic susceptibility was meas ured in single-crystalline samples to fit the CEF parameters better.\nWe d eveloped a code based on the magnetic susceptibility and differential cros s-section for magnetic scattering at low Q (dipole approximation) to proce ss and analyze the experimental data. The effective CEF hamiltonian for th e system follows the $C_3$ point symmetry\, which results in 9 CEF paramet ers overall. The least-square fitting procedure uses a machine-learning al gorithm based on particle swarm optimization. We report the energy levels scheme due to the crystal field and the CEF ground state's eigenfunctions. In particular\, the INS spectra for the ErNi3Ga9 compound showed peaks as sociated with the so-called hot transitions\, which take place between exc ited energy levels. We only observed peaks associated with transitions bet ween the ground-state and the first excited levels for R = Ho\, Tb\, and D y. The calculated INS spectra and magnetic susceptibility were in good agr eement with the experimental data. In particular\, the calculated magnetic susceptibility showed that the direction of easy magnetization occurs alo ng the c-axis for the ErNi3Ga9 compound and along the basal plane for the other compounds. It evidences the oblate and prolate nature of the rare-ea rth ions charge distributions. In summary\, we used inelastic neutron scat tering data to establish the CEF parameters for all compounds according to the $C_3$ point symmetry. The obtained parameters describe the CEF energy levels' configuration and the relative intensity of the peaks observed in the INS spectrum\, besides the transverse and longitudinal magnetic susce ptibility in the paramagnetic region.\n\n[1] L. S. Silva\, S. G. Mercena\, D. J. Garcia et al. Phys. Rev. B\, 95\, 134434 (2017).\n\nhttps://events0 1.synchrotron.org.au/event/125/contributions/3705/ LOCATION:Online Event URL:https://events01.synchrotron.org.au/event/125/contributions/3705/ END:VEVENT BEGIN:VEVENT SUMMARY:Understanding Energy Materials Function: Neutron Diffraction of Ma terials Not at Equilibrium DTSTART;VALUE=DATE-TIME:20201111T024000Z DTEND;VALUE=DATE-TIME:20201111T030000Z DTSTAMP;VALUE=DATE-TIME:20260419T085827Z UID:indico-contribution-125-3867@events01.synchrotron.org.au DESCRIPTION:Speakers: Vanessa Peterson (ANSTO)\nThe performance of functio nal materials central to energy devices\, including rechargeable batteries \, fuel cells\, as well as gas separation and storage technologies\, is de termined largely by atomic-scale materials structure and dynamic-function relations. Many functional materials undergo structural change during use\ , for example to accommodate compositional change such as in rechargeable battery electrodes that reversibly host charge-carrying ions and in gas st orage and separation materials that reversibly host molecular gas species. Robust characterization methods that quantitatively and accurately captur e these changes are essential to the strategic design of materials with su perior function\, and consequently\, to improving device performance. \n\n Historically\, a conflict existed between fast and detailed neutron scatte ring measurements of materials\, particularly for measurements of material s within devices. This conflict was sometimes alleviated by using small mo del systems in which the material function was not representative of that in the corresponding commercially-used device. Today\, advanced characteri zation methods that capture material changes in detail while they are occu rring is possible in whole devices under real-life operating conditions\, as facilitated by advances in instrumentation. This is especially true for powder diffraction\, with instruments such as the high intensity neutron powder diffractometer Wombat at the Australian Centre for Neutron Scatteri ng (ACNS) being one of the fastest of its kind globally.\n\nThis talk will give examples of real-time neutron scattering measurements of functional energy materials capturing compositional change and non-equilibrium proces ses\, with a focus on neutron powder diffraction using ACNS’s Wombat. 1- 4 \n\nReferences: \n1 G. Liang\, C. Didier\, Z. Guo\, W. K. Pang\, V. K. P eterson\, Adv. Mater.\, 2019\, 1904528. \n2. C. Didier\, W. K. Pang\, Z. G uo\, S. Schmid\, V. K. Peterson\, Chem. Mater. In Press\, 2020.\n3. J.E. A uckett\, S.G. Duyker\, D.R. Turner\, S.R. Batten\, V.K. Peterson\, ChemPlu sChem 2018\n4. S. Duyker\, V.K. Peterson\, G.J. Kearley\, A. Studer\, C.J. Kepert\, 2016\n\nhttps://events01.synchrotron.org.au/event/125/contributi ons/3867/ LOCATION:Online Event URL:https://events01.synchrotron.org.au/event/125/contributions/3867/ END:VEVENT BEGIN:VEVENT SUMMARY:Neutron Imaging: benefits and Case Studies in Palaeontology and Cu tlural Heritage DTSTART;VALUE=DATE-TIME:20201113T030000Z DTEND;VALUE=DATE-TIME:20201113T032000Z DTSTAMP;VALUE=DATE-TIME:20260419T085827Z UID:indico-contribution-125-3749@events01.synchrotron.org.au DESCRIPTION:Speakers: Joseph Bevitt (ANSTO)\nConventional and synchrotron- based X-ray computed tomography (XCT) have been utilised for many years as critical tools in uncovering 3-D internal and surface renderings of scien tifically important fossils\, cultural artefacts and other specimens held in museum and university collections. DINGO\, Australia’s thermal-neutro n micro-computed tomography (nCT) instrument\, is being used to obtain unp receded renderings of extraordinary fossilised anatomical features not vis ible with conventional imaging techniques\, and yielding new insights into ancient manufacturing methods of archaeological artefacts not attainable by other methods.\n\nNCT is a complementary tool to XCT\, and it is import ant to recognise the benefits\, and challenges with its application. Using a selection of case studies from our instrument user program\, this prese ntation will illustrate how neutrons are revealing soft-tissue remains in Jurassic stem-mammals\, being used to identify touch-ups and fraud in pala eontology\, and providing new insights into Cretaceous polar ecosystems. T hrough the ANSTO supported Cultural Heritage project\, neutron imaging is being used to reveal ancient weapons manufacturing practices\, reveal hidd en texts in a lead scroll and identify the recycling of mummified votive o fferings in ancient Egypt. Improvements in imaging technology and methods at ANSTO is enabling us to achieve higher throughput of these precious obj ects\, minimise neutron-induced activation of samples and to support an in creasing number and diversity of student-led research projects.\n\nhttps:/ /events01.synchrotron.org.au/event/125/contributions/3749/ LOCATION:Online Event URL:https://events01.synchrotron.org.au/event/125/contributions/3749/ END:VEVENT BEGIN:VEVENT SUMMARY:Protein deuteration extending structural characterisations by Smal l Angle Neutron Scattering with Contrast Variation DTSTART;VALUE=DATE-TIME:20201112T045500Z DTEND;VALUE=DATE-TIME:20201112T051500Z DTSTAMP;VALUE=DATE-TIME:20260419T085827Z UID:indico-contribution-125-3739@events01.synchrotron.org.au DESCRIPTION:Speakers: Anthony Duff (ANSTO)\nProtein deuteration enables un ique applications of neutron scattering to the life sciences\, at both low and high resolutions. In recent years\, the National Deuteration Facilit y at ANSTO have developed and published a robust and efficient method of r ecombinant protein deuteration.[1] Utilising this method enables us to ro utinely collaborate with life scientists by removing the difficulty of bio molecule deuteration from their needs for sample preparation to make best use of neutron scattering.\n \nIn this presentation I will highlight the e ssential role of protein deuteration in the structural characterization of previously poorly characterized “suppressor of copper sensitivity” pr oteins\, as recently published.[2] Using this\, and more recent work in p rogress\, I will illustrate the value of small angle scattering as a comp lementary method to high resolution techniques so as to including disorder ed-to-ordered transitions that are frequently the basis for functional mec hanisms in life and disease. Other applications of protein deuteration\, for neutron reflectometry\, neutron crystallography\, and nuclear magnetic resonance\, will be briefly explained. \n\nReferences\n\n[1] Robust high -yield methodologies for 2H and 2H/15N/13C labeling of proteins for struct ural investigations using neutron scattering and NMR\nAP Duff\, KL Wilde\, A Rekas\, V Lake\, PJ Holden\nMethods in enzymology (2015) 565\, 3-25\n\n [2] Disulfide isomerase activity of the dynamic\, trimeric Proteus mirabi lis ScsC protein is primed by the tandem immunoglobulin-fold domain of Scs B \nEJ Furlong\, HG Choudhury\, F Kurth\, AP Duff\, AE Whitten\, JL Martin \nJournal of Biological Chemistry (2018) 293(16)\, 5793-5805\n\nhttps://ev ents01.synchrotron.org.au/event/125/contributions/3739/ LOCATION:Online Event URL:https://events01.synchrotron.org.au/event/125/contributions/3739/ END:VEVENT BEGIN:VEVENT SUMMARY:Model membrane systems: Applications in ocular drug delivery and a ntimicrobial actions DTSTART;VALUE=DATE-TIME:20201112T035000Z DTEND;VALUE=DATE-TIME:20201112T043500Z DTSTAMP;VALUE=DATE-TIME:20260419T085827Z UID:indico-contribution-125-3866@events01.synchrotron.org.au DESCRIPTION:Speakers: Hsin-Hui Shen (Monash University)\nA variety of biol ogical processes occur on cell membranes. The complexity of biological mem branes makes the determination of their exact composition in a cell quite difficult. A number of simpler model membrane systems have been developed to customize the membrane size\, geometry\, and compositions with greater precision. In recent years\, model membrane systems have been explored and investigated for their interactions with nanocarriers\, drugs and antibio tics. Understanding these mechanisms of interactions is essential to the d esign and development of new drugs and efficient delivery systems. In thi s talk\, I will demonstrate the use of model lipid membranes to understand the biological mechanisms in two different fields. \n\n**i) Design of cub osomes for glaucoma drug delivery.** Glaucoma is the leading cause of irr eversible blindness. It is associated with progressive loss of retinal gan glion cells (RGCs) undergoing apoptosis. We have used cubosomes for glauco ma drug delivery due to their biocompatible constituents and high loading potential for drugs. To enhance the detection of apoptotic cells in glauco ma\, cubosomes were first modified with Annexin V. The interactions of An nexin V-containing cubosomes with the apoptotic model and cellular membran es were investigated. After that\, we used Annexin V-containing cubosomes as an active targeted delivery system to deliver neuroprotective drugs to the damaged RGCs in vivo. Biophysical studies further revealed that 17% dr ug loaded cubosomes with Pn3m symmetry have shown better in-situ and in-vi tro cell penetration effects than other formulations with Im3m symmetry. T his data has important implications for future design and formulation of n anoparticles for therapeutic applications.\n\n**ii) Interaction of antibio tics with bacterial outer membranes.** "Superbugs" are responsible for mor e than 35\,000 deaths and nearly 3 million illnesses each year. Superbugs can evade last-line antibiotics and the host immune system during a life-t hreatening infection. Studies have reported that superbugs rapidly adapt t heir bacterial membrane to circumvent antibiotic and immune killing. We ha ve used neutron reflectometry to characterise the golden staph and gram-ne gative bacterial membranes\, and found that the packing\, organisation and density of lipids in the membrane impacted the mechanism of action of ant ibiotics.\n\nhttps://events01.synchrotron.org.au/event/125/contributions/3 866/ LOCATION:Online Event URL:https://events01.synchrotron.org.au/event/125/contributions/3866/ END:VEVENT BEGIN:VEVENT SUMMARY:Dynamics in soft matter systems probed by small-angle neutron scat tering DTSTART;VALUE=DATE-TIME:20201111T020000Z DTEND;VALUE=DATE-TIME:20201111T022000Z DTSTAMP;VALUE=DATE-TIME:20260419T085827Z UID:indico-contribution-125-3793@events01.synchrotron.org.au DESCRIPTION:Speakers: Rico Tabor (Monash University)\nDue to the lower int ensity of neutron sources when compared to synchrotron X-rays\, it is ofte n assumed that small-angle neutron scattering (SANS) is best suited to the study of equilibrium samples or processes with slow dynamics. However\, o ver the last 10 years\, my group (and many others) have shown that along w ith ‘slow’ processes taking minutes or hours\, even fast dynamic proce sses in soft matter systems can be accessed using neutron scattering. Such measurements provide information on how systems rearrange at the nanoscal e\, and ultimately\, how this informs their bulk properties and behaviour. This talk will explore some interesting cases where dynamic studies using SANS uncover unique properties of self-assembled systems.\n\nDense microe mulsions are particularly suited to study using dynamic SANS [1]\, as thei r scattering intensity tends to be rather high. However\, this means that analysis of obtained scattering is often compounded by the convolution of form with a strong structure factor contribution from local interactions o r structuring between droplets. Dynamics of a dilution-induced phase chang e between lamellar and droplet-like microemulsion systems could be monitor ed with time resolution as low as 20 ms\, offering new insight into fast p rocesses where the neutron contrast offered by isotopic variation proves e ssential [1].\n\nLight as an external stimulus to cause dynamic changes in soft matter is particularly appealing\, as photons are seen as a ‘green ’ reagent that ideally allow spatiotemporal control of chemical systems. To incorporate this feature into surfactant systems\, molecules that phot oisomerise are used\, termed photosurfactants [2]. By monitoring the chang es in self-assembly structure as such systems undergo isomerisation\, insi ght can be obtained on their packing and dynamics\, aiding the design of s timulus responsive complex fluids.\n\nFinally\, the deformation of self-as sembled systems in flow is a fascinating manifestation of the complex inte rplay between structure and dynamics. Perhaps the most prototypical exampl e of this is how long\, threadlike micelles align with a flow field\, lowe ring their entanglement and therefore viscosity. By exploring different sh ear speeds\, information on how structure relates to flow\, which is essen tial in product design using these industry-favourite viscoelastic texture modifiers.\n\nReferences\n\n1. Tabor\, R. F.\, Eastoe\, J.\, Grillo\, I. Time-resolved small-angle neutron scattering as a lamellar phase evolves i nto a microemulsion. Soft Matter 2009\, 5\, 2125–2129.\n2. Tabor\, R. F. \, Pottage\, M. J.\, Garvey\, C. J.\, Wilkinson\, B. L. Light-induced stru ctural evolution of photoswitchable carbohydrate-based surfactant micelles . Chemical Communications 2015\, 51\, 5509–5512.\n3. Kelleppan\, V. T.\, Moore\, J. E.\, McCoy\, T. M.\, Sokolova\, A. V.\, de Campo\, L.\, Wilkin son\, B. L.\, Tabor\, R. F. Self-Assembly of Long-Chain Betaine Surfactant s: Effect of Tailgroup Structure on Wormlike Micelle Formation. Langmuir 2 018\, 34\, 970–977.\n\n\n [1]: https://ibb.co/qyH8DtY\n\nhttps://events 01.synchrotron.org.au/event/125/contributions/3793/ LOCATION:Online Event URL:https://events01.synchrotron.org.au/event/125/contributions/3793/ END:VEVENT BEGIN:VEVENT SUMMARY:Career Award 2020 DTSTART;VALUE=DATE-TIME:20201111T032000Z DTEND;VALUE=DATE-TIME:20201111T035000Z DTSTAMP;VALUE=DATE-TIME:20260419T085827Z UID:indico-contribution-125-3865@events01.synchrotron.org.au DESCRIPTION:https://events01.synchrotron.org.au/event/125/contributions/38 65/ LOCATION:Online Event URL:https://events01.synchrotron.org.au/event/125/contributions/3865/ END:VEVENT BEGIN:VEVENT SUMMARY:Neutron Award 2020 DTSTART;VALUE=DATE-TIME:20201111T030000Z DTEND;VALUE=DATE-TIME:20201111T032000Z DTSTAMP;VALUE=DATE-TIME:20260419T085827Z UID:indico-contribution-125-3864@events01.synchrotron.org.au DESCRIPTION:https://events01.synchrotron.org.au/event/125/contributions/38 64/ LOCATION:Online Event URL:https://events01.synchrotron.org.au/event/125/contributions/3864/ END:VEVENT BEGIN:VEVENT SUMMARY:Young Scientist 2020 DTSTART;VALUE=DATE-TIME:20201111T022000Z DTEND;VALUE=DATE-TIME:20201111T024000Z DTSTAMP;VALUE=DATE-TIME:20260419T085827Z UID:indico-contribution-125-3863@events01.synchrotron.org.au DESCRIPTION:https://events01.synchrotron.org.au/event/125/contributions/38 63/ LOCATION:Online Event URL:https://events01.synchrotron.org.au/event/125/contributions/3863/ END:VEVENT BEGIN:VEVENT SUMMARY:Student Award 2020 DTSTART;VALUE=DATE-TIME:20201111T014500Z DTEND;VALUE=DATE-TIME:20201111T020000Z DTSTAMP;VALUE=DATE-TIME:20260419T085827Z UID:indico-contribution-125-3862@events01.synchrotron.org.au DESCRIPTION:https://events01.synchrotron.org.au/event/125/contributions/38 62/ LOCATION:Online Event URL:https://events01.synchrotron.org.au/event/125/contributions/3862/ END:VEVENT BEGIN:VEVENT SUMMARY:Imaging the invisible: resolving polymer brush structure through a freeform Bayesian analysis of neutron reflectometry data DTSTART;VALUE=DATE-TIME:20201112T064400Z DTEND;VALUE=DATE-TIME:20201112T064500Z DTSTAMP;VALUE=DATE-TIME:20260419T085827Z UID:indico-contribution-125-3789@events01.synchrotron.org.au DESCRIPTION:Speakers: Isaac Gresham (The University of New South Wales)\nS urfaces covered with densely tethered polymer chains possess desirable pro perties and are ubiquitous in natural and human-made systems. These proper ties stem from the diffuse structure of these polymer brush interfaces\; c onsequently\, resolving their structure is key to better understanding and designing polymer brush systems. We have been using the *PLATYPUS* neutro n reflectometer at the ACNS to achieve this structural resolution over the past six years\, contributing to our understanding of brush structure\, a s well as fundamental polymer physics. \n\nHowever\, the analysis of colle cted reflectometry data is not without significant challenges\; Inflexible models preclude viable structures and the uncertainty around accepted pro files (known as spread) is challenging to quantify. Furthermore\, there is no guarantee of profile uniqueness in reflectivity analysis - multiple st ructures may match the data equally well. Quantifying profile uniqueness a nd determining the structures that agree with collected data (known as mul timodality) has not been previously attempted on brush systems. Historical ly\, data analyses have used least-squares approaches\, which do not satis factorily determine profile spread and bypass the possibility of multimoda lity.\n\nHere we will briefly document our journey in modelling neutron re flectometry data collected from polymer brush systems\, culminating in the presentation of our developed methodology. In this methodology\, we model our brush with a freeform profile that minimises assumptions regarding po lymer conformation while only producing physically reasonable structures. This model is built within *refnx*'s Bayesian statistical framework\, whic h enables the characterisation of structural uncertainty and multimodality through Markov Chain Monte Carlo sampling. We demonstrate the rigour of o ur approach via a round-trip analysis of a simulated system before applyin g it to real data\, examining the well-characterised collapse of a thermor esponsive brush. The method we describe is directly applicable to reflecto metry experiments on soft and diffuse systems\, but may also be generalise d to other instruments where the "inverse problem" hampers data analysis.\ n\nhttps://events01.synchrotron.org.au/event/125/contributions/3789/ LOCATION:Online Event URL:https://events01.synchrotron.org.au/event/125/contributions/3789/ END:VEVENT BEGIN:VEVENT SUMMARY:Opportunities for Catalysis Studies using the Beryllium Filter Spe ctrometer DTSTART;VALUE=DATE-TIME:20201112T064300Z DTEND;VALUE=DATE-TIME:20201112T064400Z DTSTAMP;VALUE=DATE-TIME:20260419T085827Z UID:indico-contribution-125-3787@events01.synchrotron.org.au DESCRIPTION:Speakers: Anton Stampfl (Australian Nuclear Science and Techno logy Organisation)\nThe Beryllium Filter Spectrometer (BeF) is one of the inelastic neutron spectrometers located on Taipan\, the other being a clas sical thermal triple axis spectrometer (TAS). The BeF is ideal for vibrati onal spectroscopy investigations on a molecular level. In particular as th e total scattering cross-section of hydrogen is about 82 barn\, which is m ainly due to incoherent nuclear scattering from the protium isotope\, neut ron spectroscopy is incredibly sensitive to hydrogen vibrations that can b e interpreted on a localised molecular level\, over and above most scatter ing from other isotopes. With this in mind and given the experience gained in successfully using the BeF spectrometer over the last three years\, a review of catalysis work is presented that have involved such filter-based spectrometers. In particular studies focusing on hydrogen are highlighted . One of the overarching goals of catalytic studies is the elucidation of structure-function relationships which neutron spectroscopy in Australia c ould significantly contribute to using the filter spectrometer on Taipan.\ n\nhttps://events01.synchrotron.org.au/event/125/contributions/3787/ LOCATION:Online Event URL:https://events01.synchrotron.org.au/event/125/contributions/3787/ END:VEVENT BEGIN:VEVENT SUMMARY:In situ diagnostics and optimization of single crystal compound sc intillator and semiconductor materials through energy-resolved neutron ima ging DTSTART;VALUE=DATE-TIME:20201112T064200Z DTEND;VALUE=DATE-TIME:20201112T064300Z DTSTAMP;VALUE=DATE-TIME:20260419T085827Z UID:indico-contribution-125-3786@events01.synchrotron.org.au DESCRIPTION:Speakers: Anton Tremsin (University of California at Berkeley) \nThe high cost\, low yield and inconsistency of crystal growth are among the main obstacles for the introduction of new materials to widespread app lication in various detection devices. In-situ diagnostics during crystal growth can be very helpful for the optimization of the growth process of a specific material. Neutrons appear to be unique probes providing informat ion on the distribution of elements via nuclear resonance absorption\, loc ation of liquid/solid interfaces via different contrasts between elements and some information on the crystallographic structure (such as mosaicity) via Bragg scattering. Recent development of in-situ neutron imaging techn ique conducted at pulsed neutron sources demonstrate the possibility to vi sualize in real time (in crystal growth terms) the location of the liquid/ solid interface\, uniformity of crystal orientation and lattice parameter as well as elemental distribution. In this paper we demonstrate how crysta l growth parameters can be optimized in-situ allowing substantial reductio n of time required for the optimization of growth conditions. We performed in-situ imaging during crystal growth of several gamma scintillator mater ials: BaBrCl:Eu\, Cs2LiLaBr6:Ce\, CsI:Eu and others. These crystals were g rown by the Bridgman process performed within a dedicated furnace\, design ed specifically for neutron imaging. Our experiments demonstrate the uniqu e capabilities of energy-resolved neutron imaging to measure various chara cteristics of crystal growth process with sub-mm spatial resolution and wi th a ~minute timing resolution\, sufficient for slow crystal growth proces ses.\n\nhttps://events01.synchrotron.org.au/event/125/contributions/3786/ LOCATION:Online Event URL:https://events01.synchrotron.org.au/event/125/contributions/3786/ END:VEVENT BEGIN:VEVENT SUMMARY:Neutron Laue Diffraction - A spotted history\, a scintillating fut ure DTSTART;VALUE=DATE-TIME:20201112T064100Z DTEND;VALUE=DATE-TIME:20201112T064200Z DTSTAMP;VALUE=DATE-TIME:20260419T085827Z UID:indico-contribution-125-3785@events01.synchrotron.org.au DESCRIPTION:Speakers: Garry McIntyre (Australian Nuclear Science and Techn ology Organisation)\nIn 1912\, Max von Laue first demonstrated atomic diff raction produced by passing a beam of polychromatic X-rays through a singl e crystal [1]\, and was awarded the Nobel Prize for Physics two years late r for his discovery. Laue diffraction\, as this phenomenon was later calle d\, was also demonstrated with neutrons [2]\, shortly after the pioneering monochromatic experiments by Schull and co-workers at Oak Ridge in the 19 40s. The Laue technique largely languished for many decades however\, due to the perception that harmonic overlap and complicated wavelength-depend ent corrections yielded data of lesser quality than monochromatic diffract ion. \nThe extreme demands of protein crystallography for higher data coll ection rates\, for both X-rays [3\,4] and neutrons [5]\, coupled with high -resolution\, large area detectors\, and powerful image-analysis technique s\, allowed Laue diffraction on a continuous source of radiation to return to the forefront of crystallography in terms of increasing unit-cell size \, decreasing sample volume\, and higher-throughput experiments\, advantag es that translate directly to chemical crystallography\, materials science \, and exotic physics [6]. Modern reactor-based neutron Laue diffractomete rs with large image-plate detectors permit extensive continuous sampling o f reciprocal space with high resolution in the two-dimensional projection and a wide dynamic range with negligible bleeding of intense diffraction s pots\, qualities that are highly suited to detection of incommensurate str uctures\, high-pressure crystallography\, and diffuse scattering.\nAlthoug h time-of-flight (TOF) neutron diffraction on a white beam was first demon strated at the Dubna pulsed reactor in 1964 [7]\, it was not until a posit ion-sensitive (scintillation) detector became available that the full util ity of the technique for single-crystals could be realised in a landmark e xperiment at IPNS in 1984 [8]. Using a scintillator gave negligible parall ax\, which allowed the detector to be moved close to the sample to increas e significantly the solid angle of detection and thereby make the data-col lection efficiency comparable to that on a monochromatic diffractometer wi th a point detector at a reactor source. Such detector developments [9] w ill continue to play a key role in broadening the application of neutron L aue diffraction.\nA survey of pioneering studies of neutron Laue diffracti on in the recent past at reactors and spallation sources guides us to what we can expect to achieve with upcoming instrumental and data-analysis adv ances.\n\nReferences\n\n[1] W. Friedrich\; P. Knipping\; M. von Laue\, Sit z.ber. K. Bayer. Akad. Wiss. 1912\,1912\, 303–322.\n\n[2] C.G. Schull\, Rev. Mod. Phys. 1995\, 67\, 753-757.\n\n[3] J.R. Helliwell\, Rep. Prog. Ph ys. 1984\, 47\, 1403–1497.\n\n[4] K. Moffat\; D. Szebenyi\; D. Bilderbac k\, Science\, 1984\, 223\, 1423–1425.\n\n[5] F. Cipriani\; J.C. Castagna \; C. Wilkinson\; P. Oleinek\; M.S. Lehmann\, J. Neutron Research\, 1996\, 4\, 79-85.\n\n[6] G.J. McIntyre\; M.-H. Lemée-Cailleau\; C. Wilkinson\, Physica B\, 2006\, 385-386\, 1055-1058.\n\n[7] V.V. Nitz\; Z. Papułowa\; I. Sosnowska\; J. Sosnowski\, Sov. Solid State Phys. 1964\, 6 \,1369–137 5.\n\n[8] A.J. Schultz\; K. Srinivasan\; R.G. Teller\; J.M. Williams\; C.M . Lukehart\, J. Am. Chem. Soc. 1984\, 106\, 999–1003.\n\n[9] G.J. McInty re\, J. Phys. D: Appl. Phys. 2015\, 48\, 504002.\n\nhttps://events01.synch rotron.org.au/event/125/contributions/3785/ LOCATION:Online Event URL:https://events01.synchrotron.org.au/event/125/contributions/3785/ END:VEVENT BEGIN:VEVENT SUMMARY:Scaling behaviour of the skyrmion phases of Cu2OSeO3 single crysta ls from small angle neutron scattering DTSTART;VALUE=DATE-TIME:20201112T064000Z DTEND;VALUE=DATE-TIME:20201112T064100Z DTSTAMP;VALUE=DATE-TIME:20260419T085827Z UID:indico-contribution-125-3783@events01.synchrotron.org.au DESCRIPTION:Speakers: Jorge Arturo Sauceda Flores (School of Physics\, Uni versity of New South Wales\, Sydney 2052\, Australia)\nA skyrmion is a top ological stable particle-like object comparable to a spin vortex at the na nometre scale. It consists of an about 50 nm large spin rotation and its s pin winding number is quantised. Skyrmions emerge in chiral crystals as th e result of competing symmetric exchange and asymmetric Dzyaloshinskii-Mor iya (DM) interactions and typically form two dimensional hexagonal lattice s perpendicular to an applied magnetic field. Its dynamics has links to fl ux line vortices as in high-temperature superconductors [1-2].\n\nCu$_2$OS eO$_3$ is a unique case of a multiferroic material where the skyrmion dyna mics could be controlled through the application of an external electric f ield. The direct control of the skyrmion dynamics through a non-dissipativ e method would offer technological benefits applicable in energy-efficient data storage and data processing devices or for testing fundamental theor ies also related to the Higgs Boson whose theoretical description has simi larities to skyrmions [3].\n\nThe technological applications crucially dep end on the stability conditions of the skyrmion phase up to room temperatu re. While some materials host skyrmion lattices above room temperature [3] \, Cu$_2$OSeO$_3$ is the only insulating skyrmion material discovered so f ar\, which orders magnetically below 58 K. It is interesting to note that the appearance of two different skyrmion phases have been reported along t he temperature and magnetic field phase diagram of Cu2OSeO3 when the sampl e is aligned with its main crystallographic axes parallel to the incoming neutron beam and performing Zero Field Cooling (ZFC) or Field Cooling (FC) across the high-temperature skyrmion phase. However\, the stabilisation p rocesses of these two phases and their thermodynamic connection are still under debate [4-6]. We have used small angle neutron scattering and Lorent z transmission electron microscopy [7] to study the scaling behaviour of h elical phase and the magnetic skyrmion lattices\, i.e. the systematic chan ge of their distances in single crystals of Cu$_2$OSeO$_3$ in order to gai n insight on the balance between the different competing magnetic exchange interactions. \n\nTherefore\, we have examined the field\, temperature an d sample alignment dependence of the scaling behaviour of skyrmions as an order parameter for the emergence of the two aforementioned skyrmion phase s. The obtained data provide valuable information on the formation mechani sm of the skyrmions and their stability range. This is an important step t owards the understanding of the manipulation of skyrmions\, which is requi red for technological applications. \n\n[1] S. Muehlbauer *et al*.\, *Scie nce* **323**\, 915 (2009)\n[2] S. Seki\, X. Z. Yu\, S. Ihiwata\, and Y. To kura\, *Science* **336**\, 198 (2009)\n[3] A. Fert\, N. Reyren\, V. Cros\, *Nat. Rev. Mats*. **2**\, 01731 (2017)\n[4] A. Chacon\, L. Heinen *et al* .\, *Nat. Phys*. **14**\, 936-941 (2018)\n[5] F. Qian\, L. J. Bannenberg * et al*.\, *Sci. Adv*. **4**\, eaat7323 (2018)\n[6] L. J. Bannenberg\, H. W ilhelm *et al*.\, *npj Quantum Mater*. **4**\, 11 (2019)\n[7] M.-G. Han\, J. Garlow\, Y. Kharkov\, L. Camacho\, R. Rov\, G. Vats\, J. **Sauceda Flor es**\, K. Kisslinger\, T. Kato\, O. Sushkov\, Y. Zhu\, C. Ulrich\, T. Soeh nel\, and J. Seidel\, *Sci. Adv.* **6**\, eaax2138 (2020)\n\nhttps://event s01.synchrotron.org.au/event/125/contributions/3783/ LOCATION:Online Event URL:https://events01.synchrotron.org.au/event/125/contributions/3783/ END:VEVENT BEGIN:VEVENT SUMMARY:Diffuse Scattering Studies from a Martensitic Fe-Pd Alloy DTSTART;VALUE=DATE-TIME:20201112T063900Z DTEND;VALUE=DATE-TIME:20201112T064000Z DTSTAMP;VALUE=DATE-TIME:20260419T085827Z UID:indico-contribution-125-3780@events01.synchrotron.org.au DESCRIPTION:Speakers: Trevor Finlayson (University of Melbourne)\nFrom lit eratrure reports\, Fe-Pd alloys in the vicinity of Fe-30at%Pd exhibit two martensitic transformations on being cooled from just above room temperatu re to about 100K. A preliminary study of a large single crystal of this co mposition at the KOALA beamline\, not only showed evidence for these trans formations but also revealed most interesting satellite reflections around certain Bragg reflections. The crystal has been studied further in two tr iple-axis experiments. The first was at TAIPAN\, specifically to study ela stic scattering and the second\, at SIKA\, to study quasi-elastic scatteri ng both in the vicinity of certain Bragg peaks but also around the satelli te reflections observed at KOALA. The results from both of these experimen ts will be discussed.\n\nhttps://events01.synchrotron.org.au/event/125/con tributions/3780/ LOCATION:Online Event URL:https://events01.synchrotron.org.au/event/125/contributions/3780/ END:VEVENT BEGIN:VEVENT SUMMARY:Synthesis-Controlled Polymorphism and Magnetic Properties of Li3Co 2SbO6 DTSTART;VALUE=DATE-TIME:20201112T063800Z DTEND;VALUE=DATE-TIME:20201112T063900Z DTSTAMP;VALUE=DATE-TIME:20260419T085827Z UID:indico-contribution-125-3779@events01.synchrotron.org.au DESCRIPTION:Speakers: Alex Brown (Mr)\nLi3Co2SbO6 has been synthesized usi ng high temperature solid-state methods. Li3Co2SbO6 is found to adopt two highly distinct structural forms: a pseudohexagonal (monoclinic C2/m) laye red O3-LiCoO2 type phase with “honeycomb” 2:1 ordering of Co and Sb\, and an orthorhombic Fddd phase\, isostructural with Li3Co2TaO6 but with th e addition of significant Li/Co ordering. Pure samples of both phases can be obtained by conventional solid-state synthesis via a precursor route us ing Li3SbO4 and CoO\, by controlling particle size\, initial lithium exces s\, and reaction time. Both phases show relatively poor performance as lit hium-ion battery cathode materials in their as-made states\, but complex a nd interesting low-temperature magnetic properties.\n\nThe monoclinic hone ycomb phase is the first of its type to show A-type antiferromagnetic orde r (ferromagnetic planes\, antiferromagnetically coupled)\, with TN = 14 K. Isothermal magnetisation and in-field neutron diffraction below TN show c lear evidence for a metamagnetic transition at H ≈ 0.7 T to three-dimens ional ferromagnetic order. The orthorhombic phase orders antiferromagnetic ally below TN = 112 K and then undergoes two more magnetic phase transitio ns at 80 and 60K. Neutron diffraction data show that the ground state is i ncommensurate.\n\nIn this presentation the crystal structures of both poly morphs of Li3Co2SbO6 will be discussed as elucidated by X-ray powder diffr action and neutron powder diffraction. The low-temperature magnetic ground -states and magnetic behaviour\, including in-field metamagnetism displaye d by the honeycomb phase will also be discussed.\n\nhttps://events01.synch rotron.org.au/event/125/contributions/3779/ LOCATION:Online Event URL:https://events01.synchrotron.org.au/event/125/contributions/3779/ END:VEVENT BEGIN:VEVENT SUMMARY:High-q\, High Intensity Small Angle Neutron Scattering to Probe Fo rmaldehyde-Methanol-Water Mixtures DTSTART;VALUE=DATE-TIME:20201112T063700Z DTEND;VALUE=DATE-TIME:20201112T063800Z DTSTAMP;VALUE=DATE-TIME:20260419T085827Z UID:indico-contribution-125-3777@events01.synchrotron.org.au DESCRIPTION:Speakers: Swarit Dwivedi (Monash University)\nMethanol-water m ixtures are known for their unusual thermodynamic behaviour. On varying mi xture composition\, the thermodynamic properties do not vary linearly. Thi s is attributed to the formation of structures at a molecular length scale \, called as micro-phase. When formaldehyde is solvated in methanol-water mixtures\, its chemical and physical behaviour is very much dependent on i ts micro-phase environment. Recently\, liquid phase heterogeneous catalyti c routs for the production of formaldehyde and its higher order oligomers are being developed1\,2. The liquid phase (generally\, methanol-water mix ture) increases formaldehyde’s yield after its desorption from the catal ytic surface1. Therefore\, the study of formaldehyde's solvation in methan ol-water mixtures may be crucial to further develop these liquid phase cat alytic reaction pathways. However\, the understanding of the structure of formaldehyde–methanol-water mixtures at molecular length scales is a cha llenge to the contemporary experimental techniques due to their dynamical and chemical nature. We use molecular dynamics simulations and the Small A ngle Neutron Scattering (SANS) measurements to predict the molecular clust ering in these mixtures.\n\nClassical Molecular Dynamics (MD) simulations were performed using GROMACS software package3 and the OPLS-AA forcefield parameters were used to describe bonded and non-bonded interactions. The r adial pair distribution function g(r) and the coordination number were use d to estimate the cluster composition and to compose backgrounds for these ternary mixtures. The Neutron Scattering data was collected at the Quokka beamline of the Australian Nuclear Science and Technology Organisation (A NSTO). The data modelling program SASview was used to model the scattering data and five different curve-fitting models were used\, namely\, the Gui nier model\, sphere model\, sticky-hardsphere (SHS) sphere model\, and SHS ellipsoid model. The sticky-hardsphere model fitting parameters were deri ved from the Potential of Mean Force (PME)\, calculated by the MD simulati ons.\n\nWe observe a hydrophobic clustering of methanol around methoxymeth anol molecule (i.e.\, the metastable solvated form of formaldehyde) at for maldehyde–methanol-water mixtures where 1 mole-percent formaldehyde is d issolved in xm ≤ 0.3 methanol-water mixture. The SHS-sphere model result s in a sphere of 4.29 Å radius\, which\, when drawn from the centroid of a molecular cluster obtained via MD data\, perfectly encapsulates it. On f urther increasing the methanol concentration\, we do not observe any molec ular clusters for xm > 0.5. In summary\, we formulate a framework of analy sing the dynamic ternary liquid mixtures for molecular clustering using SA NS measurements and MD simulations and report hydrophobic clustering in fo rmaldehyde-methanol-water ternary mixtures at low methanol composition.\n\ nReference:\n1) Bahmanpour\, A. M.\; Hoadley\, A.\; Mushrif\, S. H.\; Tank sale\, A. Hydrogenation of Carbon Monoxide into Formaldehyde in Liquid Med ia. ACS Sustain. Chem. Eng. 2016\, 4 (7)\, 3970–3977. https://doi.org/10 .1021/acssuschemeng.6b00837.\n2) Ahmad\, W.\; Chan\, F. L.\; Chaffee\, A. L.\; Wang\, H.\; Hoadley\, A.\; Tanksale\, A. Dimethoxymethane Production via Catalytic Hydrogenation of Carbon Monoxide in Methanol Media. ACS Sust ain. Chem. Eng. 2020\, 8 (4)\, 2081–2092. https://doi.org/10.1021/acssus chemeng.9b06913.\n3) Van Der Spoel\, D.\; Lindahl\, E.\; Hess\, B.\; Groen hof\, G.\; Mark\, A. E.\; Berendsen\, H. J. C. GROMACS: Fast\, Flexible\, and Free. J. Comput. Chem. 2005\, 26 (16)\, 1701–1718. https://doi.org/1 0.1002/jcc.20291.\n\nhttps://events01.synchrotron.org.au/event/125/contrib utions/3777/ LOCATION:Online Event URL:https://events01.synchrotron.org.au/event/125/contributions/3777/ END:VEVENT BEGIN:VEVENT SUMMARY:Giant shifts of crystal field excitations with temperature as a co nsequence of internal magnetic exchange interactions DTSTART;VALUE=DATE-TIME:20201112T063600Z DTEND;VALUE=DATE-TIME:20201112T063700Z DTSTAMP;VALUE=DATE-TIME:20260419T085827Z UID:indico-contribution-125-3776@events01.synchrotron.org.au DESCRIPTION:Speakers: Joel O'Brien ()\nCrystal field theory\, invented in the 1930s by Hans Bethe\, provides an explanation of the crystal field exc itations (CFE) observed in inelastic neutron scattering (INS) spectra of r are-earth compounds [1]. However\, some long withstanding problems remain. Our inelastic neutron scattering experiments on vanadates CeVO3 and TbVO3 did reveal an unexpected large shift of the energies of the crystal field excitations as a function of temperature. Thus far\, only few publication s on INS experiments mention shifts in crystal field excitation (CFE) ener gy in spectra above and below magnetic phase transition temperatures [2\,3 \,4]. Recent IR transmission measurements also identified a CFE energy shi ft in hexagonal DyMnO3 with temperature and upon the application of an ext ernal magnetic field [5]. However\, no studies report a detailed microscop ic theory and to the best of our knowledge does not exist in literature.\n \nThe vanadates CeVO3 and TbVO3 share the same orthorhombic Pbnm crystallo graphic structure featuring tilted\, corner-sharing octahedra and possess a Cz-type antiferromagnetic structure below Néel temperatures 124 K and 1 10 K\, respectively [6-9]. In both vanadates the CFE energies shift strong ly below the magnetic phase transitions. \n\nWe have used quantum-mechanic al point-charge calculations to determine the energies of observed CFEs to model their large shift as a function of temperature. Two mechanisms have been simulated: (i) distortions of the crystallographic lattice due to ma gnetostriction\, or (ii) internal magnetic exchange interactions with CF l evels at the onset of the magnetic order. The effect of lattice distortion s measured by neutron diffraction [7\,8] produces a negligibly small shift of CFE energy\, therefore cannot drive the shift. Results accounting for internal magnetic exchange fields arising from the ordered V3+ spins revea l a shift which agrees excellently with neutron data. The CFE energy shift is well reproduced with the same shift in CFE energy and intensity. There fore\, the unexpected large shift of CFE energies with temperature has bee n confirmed by point-charge model theoretical calculations and can be attr ibuted to an internal magnetic exchange interaction. \n\nIn addition to th e CFEs\, spin-wave excitations (magnons) are present in both vanadate mate rials below the magnetic phase transition. In TbVO3 there appears to be an anticrossing-like behaviour between magnon and CFE at 14 meV. Such an ant icrossing has been reported in far-IR transmission investigations in Tb3Fe 5O12 garnet [12]. In order to investigate this observation in TbVO3\, magn on dispersion calculations have been performed to clarify the exact nature of the interaction.\n\n\n\n[1] H. Bethe\, Annalen der Physik 3\, 133- 206 (1929). \n[2] K. C. Turberfield\, et al.\,J. Appl. Phys. 42\, 1746 -1754 (1971). \n[3] K. W. Becker\, et al.\,Z. Phys.\, B\, Condens Matt er 28\, 9–18 (1977).\n[4] H. U. Rahman\, et al.\,J Phys Chem Solids 27\, 11-12 (1966). \n[5] S. Jandl\, et al.\,J Phys-Condens Mat 25\, 47 5403 (2013). \n[6] S. Miyasaka\, et al.\,Phys. Rev. B 68\, 100406 (200 3).\n[7] J. Fujioka\, et al.\,Phys. Rev. B 82\, 144425 (2010).\n[8] M. Reehuis\, et al.\,Phys. Rev. B 73\, 094440 (2006).\n[9] M. Reehuis\, et a l.\,Eur. Phys. J. B 64\, 27–34 (2008).\n[10] T. Kang\, et al.\,Phys. Rev . B 82\, 014414 (2010).\n\nhttps://events01.synchrotron.org.au/event/125/c ontributions/3776/ LOCATION:Online Event URL:https://events01.synchrotron.org.au/event/125/contributions/3776/ END:VEVENT BEGIN:VEVENT SUMMARY:Canted magnetism in modulated thin-film superlattices DTSTART;VALUE=DATE-TIME:20201112T063500Z DTEND;VALUE=DATE-TIME:20201112T063600Z DTSTAMP;VALUE=DATE-TIME:20260419T085827Z UID:indico-contribution-125-3775@events01.synchrotron.org.au DESCRIPTION:Speakers: Oliver Paull ()\nInteractions at interfaces of magne tic materials such as giant magnetoresistance (GMR) form the physical foun dation of many technological devices in today's market. Although GMR techn logies are now somewhat dated\, interactions at the interface between laye rs of oxide materials continue to demonstrate attractive mechanisms for te chnology applications due to the wide variety of available oxide materials as well as their ability to be well lattice-matched to form heterostructu res. \n\nMagnetic thin-film superlattices made of 15 repetitions of La$_{2 /3}$Sr$_{1/3}$MnO$_3$ (LSMO) and LaNiO$_3$ (LNO) have been shown to exhibi t a magnetic exchange interaction in LNO that is dependent upon its thickn ess $n$ (where $n$ is the number of unit cells of LNO) between LSMO layers [1]. At $n=1$\, the LSMO layers are ferromagnetically aligned with eachot her. At $n=3$ however\, the LSMO layers are canted by 110$^{\\circ}$ with respect to one another. This canting is reportedly driven by an emergent c -axis spin-helix in LNO that arises due to charge transfer at the interfac es between LNO and LSMO [2].\n\nWe have fabricated superlattices of simila r quality to Ref. [1] using Reflected High Energy Electron Diffraction (RH EED) assisted Pulsed Laser Deposition (PLD)\, where RHEED is used to ensur e unit-cell precision in layer thicknesses. These superlattices have been designed so they exhibit $n=3$ and $n=1$ interactions within the same sup erlattice in a modulated pattern. This modulation of the effective LNO exc hange interaction in these samples creates a toy model of coupled magnetic layers to explore. The modulated design of these samples create "frustrat ed" environments where the effective exchange interaction is different on each side of an LSMO layer within the superlattice. We utilise polarised n eutron reflectometry using PLAYPUS to reveal the complex magnetic profile of these modulated superlattices by measuring the non-spin-flip (R$^{++}$ \, R$^{--}$)\, and spin-flip (R$^{+-}$\, R$^{-+}$) cross sections. Present ed are the current progress and prospects in the fitting process of these complex datasets. \n\n[1] J. Hoffman et al. Phys. Rev. X 6\, 041038 (2016) \n[2] G. Fabbris et al. Phys. Rev. B 98\, 180401(R) (2018)\n\nhttps://even ts01.synchrotron.org.au/event/125/contributions/3775/ LOCATION:Online Event URL:https://events01.synchrotron.org.au/event/125/contributions/3775/ END:VEVENT BEGIN:VEVENT SUMMARY:Composition and temperature dependent structural investigation of perovskite-type sodium-ion solid electrolyte series Na1/2-xLa1/2-xSr2xZrO3 DTSTART;VALUE=DATE-TIME:20201112T063400Z DTEND;VALUE=DATE-TIME:20201112T063500Z DTSTAMP;VALUE=DATE-TIME:20260419T085827Z UID:indico-contribution-125-3772@events01.synchrotron.org.au DESCRIPTION:Speakers: Frederick Yang (University of Sydney)\nThe developme nt of new solid electrolytes is becoming increasingly important\, e.g. in rechargeable batteries for electric vehicles\, where current organic elect rolytes cause major safety concerns. The ABO3 perovskite metal oxides have shown excellent lithium and sodium ion conductivity owing to their stabil ity and structural flexibility. This has led to the development of several perovskite-type solid electrolytes such as Li3xLa2/3-xTiO3 and Na1/2-xLa1 /2-xSr2xZrO3\, which have shown high ionic conductivity.\n\nThe Na1/2-xLa1 /2-xSr2xZrO3 perovskite-type sodium-ion solid electrolyte system was recen tly published by Zhao et al. [1] with the x=1/6 member\, i.e. Na1/3La1/3Sr 1/3ZrO3\, found to have the highest ionic conductivity. The structure was reported to adopt a cubic crystal system with the space group P213. Howeve r\, this is highly unlikely as both theoretical end members of the series\ , Na1/2La1/2ZrO3 and SrZrO3\, have orthorhombic symmetry[2\, 3]. Given the high ionic conductivity reported for the system\, it is important to dete rmine its structure reliable and with the best available data. Using neutr on and X-ray powder diffraction data we have been able to confirm that the symmetry across the series is lowered to orthorhombic indeed. Variable te mperature neutron powder diffraction data collected for the x=1/6 member o f the system from room temperature to 1100 ◦C helped to identify a struc tural phase transition from orthorhombic to tetragonal symmetry at 800 ◦ C.\n\n\n\n\n[1] Y.Z. Zhao\, Z.Y. Liu\, J.X. Xu\, T.F. Zhang\, F. Zhang\, X .G. Zhang\, Synthesis and characterization of a new perovskite-type solid- state electrolyte of Na1/3La1/3Sr1/3ZrO3 for all-solid-state sodium-ion ba tteries\, J Alloy Compd\, 783 (2019) 219-225.\n[2] B.J. Kennedy\, C.J. How ard\, B.C. Chakoumakos\, High-temperature phase transitions in SrZrO3\, Ph ys Rev B\, 59 (1999) 4023-4027.\n[3] M.C. Knapp\, P.M. Woodward\, Ohio Sta te University. Department of Chemistry\, Investigations into the structure and properties of ordered perovskites\, layered perovskites\, and defect pyrochlores\, in\, Ohio State University\,\, Columbus\, Ohio\, 2006\, pp. xvii\, 161 p.\n\nhttps://events01.synchrotron.org.au/event/125/contributio ns/3772/ LOCATION:Online Event URL:https://events01.synchrotron.org.au/event/125/contributions/3772/ END:VEVENT BEGIN:VEVENT SUMMARY:Disorder By Design: Long- and Short-Range Pyrochlore Ordering DTSTART;VALUE=DATE-TIME:20201112T063300Z DTEND;VALUE=DATE-TIME:20201112T063400Z DTSTAMP;VALUE=DATE-TIME:20260419T085827Z UID:indico-contribution-125-3771@events01.synchrotron.org.au DESCRIPTION:Speakers: Bryce Mullens (University of Sydney)\nCarbon-neutral energy generation is being developed in order to combat climate change. T wo technologies of current interest\, which are related to renewable and n uclear energy respectively\, are next-generation oxygen-ion conductors for fuel cells and materials suitable for long-term storage and disposal of r adioactive nuclear wastes [1-2]. \n\nPyrochlores of the structure $A_{2}B_ {2}$O$_{7}$ have found immense applications in each of the above areas. Io nic conductors for fuel cells require flexibility and movement in their an ionic sublattice\, whereas the storage of radioactive nuclear wastes needs a robust lattice from which ions cannot escape. This is a seemingly contr adiction in requirements. It is believed that the oxygen vacancies present in the pyrochlore structure allow for the development of short-range diso rder\, whilst keeping the long-range order intact [3]. \n\nThe pyrochlore structure can be viewed as a superstructure of the defect-fluorite structu re. The defect-fluorite structure ($A_{2}B$O$_{5}$) consists of a random d istribution of cations and oxygen vacancies. However\, by choosing *A* and *B* with a particular ionic radii ratio\, the ordered pyrochlore superstr ucture may form under ambient conditions. This ordering of oxygen vacancie s may be analysed using neutron powder diffraction and used to reason the enhanced properties and applications of pyrochlores [4]. \n\nThe current w ork aims to characterise oxygen-vacancy disorder in defect pyrochlores so to enable the rational design of defect pyrochlores that are optimised for specific applications. We have done this by looking at ‘stuffed’ pyro chlores of the form $A_{2}(B_{2-x}A_{x})$O$_{7-x/2}$ where the smaller *B* -type cation\, in this case Ti$^{4+}$\, is progressively replaced by a la rger *A*-type cation (Tm$^{3+}$). We wish to determine whether controlling the disorder in the cation sublattice will allow us to tailor-make stuffe d pyrochlores targeting specific applications across ionic conductivity\, magnetism\, photocatalysis and the storage of long-term radioactive waste. \n\nSeries of stuffed pyrochlores have been synthesised using conventiona l solid-state methods and their long-range average structures characterise d by Rietveld refinement against combined neutron and synchrotron X-ray di ffraction data. The local short-range order has been characterised by Rama n spectroscopy and XANES. Other measurements have also been performed rega rding their applications\, demonstrating a vast improvement in their ionic conductivity at high temperatures. \n\nThese results will be presented\, along with a judgement as to whether inducing certain types of disorder wi thin the pyrochlore structure can lead to them being purposely engineered for specific applications. \n\n[1] - Heremans\, C.\; Wuensch\, B. J.\; Sta lick\, J. K.\; Prince\, E.\; *J. Solid State Chem.*\, **1995**\, *117*\, 1 08-121.\n[2] - Ewing\, R. C.\; Weber\, W. J.\; Lian\, J.\; *J. Appl. Phys. *\, **2004**\, *95*\, 5949-5971. \n[3] - Zhang\, Z.\; Avdeev\, M.\; de los Reyes\, M.\; Lumpkin\, G. R.\; Kennedy\, B. J.\; Blanchard\, P. E. R.\; L iu\, S.\; Tadich\, A.\; Cowie\, B. C. C.\; *J. Phys. Chem. C*\, **2016**\, *120*\, 26465-26479. \n[4] – Mullens\, B. G.\; Zhang\, Z.\; Avdeev\, M. \; Brand\, H. E. A.\; Cowie\, B. C. C.\; Saura Múzquiz\, M.\; Kennedy\, B . J.\; *In Preparation*.\n\nhttps://events01.synchrotron.org.au/event/125/ contributions/3771/ LOCATION:Online Event URL:https://events01.synchrotron.org.au/event/125/contributions/3771/ END:VEVENT BEGIN:VEVENT SUMMARY:In situ Neutron Diffraction Study on Layered Oxides Na0.5Ni0.25Mn0 .75O2 DTSTART;VALUE=DATE-TIME:20201112T063100Z DTEND;VALUE=DATE-TIME:20201112T063200Z DTSTAMP;VALUE=DATE-TIME:20260419T085827Z UID:indico-contribution-125-3767@events01.synchrotron.org.au DESCRIPTION:Speakers: Jiatu Liu (USyd)\nLayered oxides based on first-row transition metals dominate cathode materials for commercial batteries and remain highly interesting as well as challenging in their structural study during electrochemical reactions. Neutron diffraction is a powerful metho d to obtain periodic structural information complementary to that obtained by X-ray diffraction. Although inferior to X-ray diffraction in signal re solution\, neutron diffraction reveals more reliable structural evolution as the whole bulk of materials are fluxed with neutron beam. Na0.5Ni0.25Mn 0.75O2 is a potential sodium ion battery cathode due to its high operating voltage 3.2 V vs Na+/Na and high capacity 130 mAh/g. Its stoichiometry is designed to only utilize the redox couple Ni4+/Ni2+ to avoid the unstable redox couple Mn4+/Mn3+. The high voltage phase for this material has been under debate. The fact that sodium-containing layered oxides are highly h ydroscopic\, especially at low sodium content\, makes it hard to study the final phase ex situ. In the work presented here\, we have pushed the sign al resolution of in situ neutron diffraction to the limit by loading the o ptimized material mass at the positive side and the corresponding amount o f amorphous hard carbon at the negative side of a pouch cell. The result i s the first robust proof of the reversible structural evolution from P3\, O3 to O3s on charging and back to O3\, P3 on discharging.\n\nhttps://event s01.synchrotron.org.au/event/125/contributions/3767/ LOCATION:Online Event URL:https://events01.synchrotron.org.au/event/125/contributions/3767/ END:VEVENT BEGIN:VEVENT SUMMARY:Element Effects on High-Entropy Alloy Vacancy and Heterogeneous La ttice Distortion Subjected to Quasi-equilibrium Heating DTSTART;VALUE=DATE-TIME:20201112T063000Z DTEND;VALUE=DATE-TIME:20201112T063100Z DTSTAMP;VALUE=DATE-TIME:20260419T085827Z UID:indico-contribution-125-3766@events01.synchrotron.org.au DESCRIPTION:Speakers: E-Wen Huang (National Chiao Tung University)\nWe app lied neutron diffraction and positron measurements to estimate the vacancy of CoCrFeNi and CoCrFeMnNi high-entropy alloys (HEAs) using Cu as a bench mark. The corresponding formation enthalpies and associated entropies of t he HEAs and Cu were calculated. The vacancy-dependent effective free volum es in both CoCrFeNi and CoCrFeMnNi alloys are greater than those in Cu\, i mplying the easier formation of vacancies by lattice structure relaxation of HEAs at elevated temperatures. Spatially resolved synchrotron X-ray mea surements revealed different characteristics of CoCrFeNi and CoCrFeMnNi HE As subjected to quasi-equilibrium conditions at high temperatures. Element -dependent behavior revealed by X-ray fluorescence (XRF) mapping indicates the effect of Mn on the Cantor Alloy.\n\nhttps://events01.synchrotron.org .au/event/125/contributions/3766/ LOCATION:Online Event URL:https://events01.synchrotron.org.au/event/125/contributions/3766/ END:VEVENT BEGIN:VEVENT SUMMARY:Understanding disorder in the Y2Sn2-xZrxO7 pyrochlore oxides DTSTART;VALUE=DATE-TIME:20201112T062900Z DTEND;VALUE=DATE-TIME:20201112T063000Z DTSTAMP;VALUE=DATE-TIME:20260419T085827Z UID:indico-contribution-125-3762@events01.synchrotron.org.au DESCRIPTION:Speakers: Frederick Marlton (University of Sydney)\nSolid oxid e fuel cells (SOFCs) offer clean alternatives to current carbon emitting e nergy sources\; however\, reducing their operation temperature is a major challenge for widespread application. Hence\, the development of novel ele ctrolyte materials with high room temperature ionic conductivity is crucia l. Pyrochlore oxides\, of the general chemical formula A2B2O7\, exhibit ch emical and structural flexibility\, resulting in a diverse range of physic al properties and technological applications\, such as host matrices in th e immobilization of actinide-rich nuclear wastes. In particular\, they hav e gained interest as fast-ion conductors for electrolytes in SOFCs. \n\nTh e pyrochlore structure is highly ordered\, which limits long-range oxygen diffusion. This can be altered via disordering\, which results in the form ation of oxygen Frenkel pairs that improve conductivity. The pyrochlore st ructure can adopt the disordered-fluorite structure via changes in composi tion\, temperature\, pressure and radiation. The disordered-fluorite exhib its lower formation energy of the Frenkel defect\; however\, this increase in structural disorder can increase the activation energies needed for lo ng-range migration\, which results in optimal conductivity occurring in pa rtially disordered materials. Hence\, the interplay between disorder and o rder in the atomic structure is key to the physical properties of these ma terials.\n\nThere have been many studies dedicated to understanding the st ructural order and disorder in pyrochlore and disordered-fluorite oxides\, with a recent study claiming the local structure of the disordered-flouri te to be weberite. It was proposed that the overall structure of a disorde red-fluorite consists of randomly arranged orthorhombic weberite domains t hat result in the long-range cubic disordered-fluorite.\n\nIn this study w e use low temperature (15 K) neutron pair distribution function (PDF) and big box modelling to understand the local-scale structure of the Y2Sn2-xZr xO7 system. We show that the local structure of the Y2Zr2O7 disordered flu orite does not contain ordered weberite domains\, which emphasizes the imp ortance of low temperature measurements in the local structure analysis of disordered oxide materials. Our analysis of the Y2Sn2-xZrxO7 series serve s as a direct method for quantifying disorder and Frenkel defects. Underst anding and quantifying these atomic-scale distortions is essential in simu lations and design as it directly influences the energy landscape for anio n mobility. These techniques can be used in the development and engineerin g of novel and advanced electrolyte materials for SOFCs.\n\nhttps://events 01.synchrotron.org.au/event/125/contributions/3762/ LOCATION:Online Event URL:https://events01.synchrotron.org.au/event/125/contributions/3762/ END:VEVENT BEGIN:VEVENT SUMMARY:Neutron Study of Magnetic Phase Transition in SrCoO3 Thin Films DTSTART;VALUE=DATE-TIME:20201112T062800Z DTEND;VALUE=DATE-TIME:20201112T062900Z DTSTAMP;VALUE=DATE-TIME:20260419T085827Z UID:indico-contribution-125-3718@events01.synchrotron.org.au DESCRIPTION:Speakers: Samuel Yick (UNSW and ANSTO)\nTransition metal oxide s represent a wide set of materials with a broad range of functionalities which can be tuned by the careful choice of parameters such as strain\, ox ygen content\, and applied electric or magnetic fields. When the material exhibits more than one primary ferroic ordering- ferromagnetism\, ferroele ctricity\, ferroelasticity or ferrotoridicity in the same phase\, it becom es multiferroic. Such class of materials are of immense technological inte rest as magnetic and electric transitions can be driven through external f actors. This opens new avenues for fundamental research and technical appl ications in spintronic or magnonic devices. Here\, we present results we o btained from neutron-based techniques to investigate the magnetic properti es of SrCoO3 and similar thin films. \n\nSrCoO3 provides a particularly in teresting system for these investigations. Lee and Rabe have simulated the effect of strain and have predicted that the magnetic state can be tuned through compressive or tensile strain with a ferromagnetic-antiferromagnet ic phase transition. Such a phase transition would be accompanied by a met al-to-insulator phase transition and a transition to a ferroelectric polar ized state. \nBy using different substrates\, we investigated the effect d ifferent epitaxial strain has on SrCoO3 thin films. Previously\, our neutr on diffraction experiments on these 40 nm thin films have confirmed the pr edicted but hitherto unobserved phase transition from ferromagnetism to G- type antiferromagnetism when the film was grown on SrTiO3 and DyScO3 subst rate respectively. As such\, SrCoO3 would constitute a new class of multif erroic material where magnetic and electric polarizations can be driven th rough external strain. This tunability makes them ideal candidate material s for use in developing novel information and energy technologies.\n\nhttp s://events01.synchrotron.org.au/event/125/contributions/3718/ LOCATION:Online Event URL:https://events01.synchrotron.org.au/event/125/contributions/3718/ END:VEVENT BEGIN:VEVENT SUMMARY:Understanding the structural disorder of (AgxCu1-x)2ZnSnSe4 based Kesterite semiconductor by neutron diffraction study. DTSTART;VALUE=DATE-TIME:20201112T062700Z DTEND;VALUE=DATE-TIME:20201112T062800Z DTSTAMP;VALUE=DATE-TIME:20260419T085827Z UID:indico-contribution-125-3717@events01.synchrotron.org.au DESCRIPTION:Speakers: Shaham Quadir (Academia Sinica)\nThe quaternary semi conductor Cu2ZnSnSe4 (CZTSe) is a promising environment-friendly and low-c ost material as a solar cell absorber layer with a power conversion effici ency of 11.6%. Its photovoltaic performance is currently limited due to it s disorder between the Copper & Zinc lattice sites\, which creates band ta iling and creates voltage deficit. By replacing Cu in CZTSe with isovalent Ag\, whose ionic radius is larger than that of Cu and Zn\, the density of I–II antisite defects could be suppressed. This work has been done to q uantify the cation disorders on all cation symmetry sites and the effect o f substitution of Ag in the CZTSe crystal structure. (AgxCu1-x)2ZnSnSe4 (A /CZTSe) samples with different compositions were synthesized by a solid-st ate reaction of the pure element in an evacuated quartz tube. Structural a nalysis of stoichiometric & off- stoichiometric samples were performed usi ng Raman and synchrotron powder diffraction including Rietveld refinement. A neutron diffraction experiment is performed to fully understand the cat ion distribution analysis in A/CZTSe powder sample as Cu+ and Zn2+ are not distinguishable using conventional X-ray diffraction method due to their isoelectronic character but there is a significant difference in their neu tron scattering length (bCu = 7.718 fm\, bZn = 5.680 fm). It is found that powder A/CZTSe adopts the kesterite type structure with a partial disorde r of copper and zinc on the two Wyckoff position 2c and 2d. Sn has been fo und on Wyckoff position 2b (0\, 0\, ½ )\, whereas Cu/Zn is located on 2a (0\, 0\, 0)\, 2c (0\, ½ \, 1/4) and 2d (0\, ½ \, ¾ ) sites. There is a presence of copper vacancies (VCu)\, various cation anti-site defects (CuZ n\, ZnCu\, ZnSn\, and SnZn) have been found for different compositions. Th is work will also answer the effectiveness of Ag as a substitution of Cu i n kesterite based CZTSe\, to suppress anti-site disorder.\n\nhttps://event s01.synchrotron.org.au/event/125/contributions/3717/ LOCATION:Online Event URL:https://events01.synchrotron.org.au/event/125/contributions/3717/ END:VEVENT BEGIN:VEVENT SUMMARY:Lead-free (Ag\,K)NbO3 materials for high-performance energy conver sion DTSTART;VALUE=DATE-TIME:20201112T062600Z DTEND;VALUE=DATE-TIME:20201112T062700Z DTSTAMP;VALUE=DATE-TIME:20260419T085827Z UID:indico-contribution-125-3715@events01.synchrotron.org.au DESCRIPTION:Speakers: Zhen Liu (the Australian National University)\nExplo sive energy conversion materials with extremely rapid response times have a diverse and growing range of applications in energy\, medical\, and mini ng areas. Research into the underlying mechanisms and the search for new c andidate materials is so limited that Pb0.99(Zr0.95Ti0.05)0.98Nb0.02O3 is still the dominant material after half a century. In this work\, we report the discovery of a new\, lead-free ferroelectric material\, (Ag0.935K0.06 5)NbO3 for explosive energy conversion applications. This material not onl y possesses a record-high energy storage density of 5.401 J/g\, but also e xhibits excellent temperature stability (up to a disruptive ferroelectric to ferroelectric phase transition at 150oC) by comparison with Pb0.99(Zr0. 95Ti0.05)0.98Nb0.02O3 (which exhibits the ferroelectric to ferroelectric p hase transition but at the much lower temperature of 41~70oC). (Ag0.935K0. 065)NbO3 enables extremely high power\, energy conversion within 1.8 micro seconds\, generating a pulse with e.g. a current ~ 22 A. Furthermore\, pre ssure-dependent physical characterization\, together with transmission ele ctron microscopy\, in-situ neutron diffraction analysis and theoretical mo delling\, reveals the mechanism underlying the observed explosive energy c onversion behavior. It is found that the fast release of the stored energy can be attributed to a pressure-induced octahedral tilt change from a-a-c + to AgNbO3-type a-a-c-/a-a-c+\, in accordance with an irreversible pressu re driven FE-AFE phase transition. This work provides not only an alternat ive (with significantly better performance) to the current commercially-em ployed lead-containing materials\, but also provides guidance for the furt her development of new materials and devices for explosive energy conversi on applications.\n\nhttps://events01.synchrotron.org.au/event/125/contribu tions/3715/ LOCATION:Online Event URL:https://events01.synchrotron.org.au/event/125/contributions/3715/ END:VEVENT BEGIN:VEVENT SUMMARY:A high-performance and long-cycle-life spinel lithium-ion battery cathode achieved by site-selective doping DTSTART;VALUE=DATE-TIME:20201112T062500Z DTEND;VALUE=DATE-TIME:20201112T062600Z DTSTAMP;VALUE=DATE-TIME:20260419T085827Z UID:indico-contribution-125-3714@events01.synchrotron.org.au DESCRIPTION:Speakers: Gemeng Liang (PhD student\, Institute for Supercondu cting and Electronic Materials (ISEM) Innovation Campus\, University of Wo llongong)\nLithium-ion batteries (LIBs) form an important part of our dail y life\, powering portable electronic devices\, as well as electric and hy brid electric vehicles. However\, the limited energy density of current LI Bs results in their failure to meet the increasing requirements of rapidly developing technologies. Since the performance limitation in existing LIB technology is the cathode\, exploring high-energy-density cathode candida tes becomes extremely important. Spinel LiNi0.5Mn1.5O4 (LNMO) is considere d one of the most promising cathode materials for next-generation high ene rgy-density LIBs\, owing to its high operating voltage of 4.7 V vs. Li\, l ow fabrication cost\, and high energy density approaching 650 Wh kg-1\, wh ich is beyond that of most other LIB cathode materials\, such as LiFePO4 a t ∼560 Wh kg-1\, LiMn2O4 at ∼480 Wh kg-1\, and LiMn1/3Ni1/3Co1/3O2 at ∼510 Wh kg-1. Unfortunately\, LNMO suffers from rapid capacity decay and unsatisfactory cycle stability\, limiting its practical application and c ommercialization. Various doping strategies have been widely adopted to en hance the electrochemical stability of LNMO. Although the electrochemical performance of LNMO is enhanced through doping\, the mechanism by which th e performance is improved remains unclear\, with the chemistry- and struct ure-function relationships for chemically modified LNMOs relatively unknow n.\nIn this work\, we not only demonstrate a site-selective doping strateg y for an easily-prepared high-performance LNMO cathode through Mg doping\, but also comprehensively reveal the underlying enhancement mechanisms usi ng a series of in operando and ex situ characterization techniques. Mg dop ants\, selectively residing at 8a and 16c sites of the Fd-3m structure\, c hange the way how LNMO responses to the lithium intercalation and de-inter calation during charge-discharge processes. Meanwhile\, the addition of Mg ions at such sites significantly prohibits the partially-irreversible two -phase behavior of LNMO\, mitigates against the dissolution of transition metals\, thus preventing the formation of the undesirable rock-salt phase and reducing the Jahn-Teller distortion and voltage polarization\, consequ ently offering the extraordinary structure stability to LNMO. Consequently \, the modified LNMO exhibits excellent extended-long-term electrochemical performance\, retaining ~ 86 % and ~ 87 % of initial capacity after 1500 cycles at 1 C and 2200 cycles at 10 C\, respectively in half cell configur ation\, which is reported for the first time and demonstrates their great commercial potential. Such excellent cycle and rate performance are also r eflected in a prototype full-battery with a novel TiNb2O7 counter electrod e. This work provides a new strategy for the chemical modification of elec trode materials that may be applied more generally in battery researches\, whereby dopants may be used strategically to address specific electrode i ssues.\n\nhttps://events01.synchrotron.org.au/event/125/contributions/3714 / LOCATION:Online Event URL:https://events01.synchrotron.org.au/event/125/contributions/3714/ END:VEVENT BEGIN:VEVENT SUMMARY:Influence of tempering and surface grinding on the residual stress of 415SS laser clad hypereutectoid rail components DTSTART;VALUE=DATE-TIME:20201112T062400Z DTEND;VALUE=DATE-TIME:20201112T062500Z DTSTAMP;VALUE=DATE-TIME:20260419T085827Z UID:indico-contribution-125-3713@events01.synchrotron.org.au DESCRIPTION:Speakers: Olivia Kendall ()\nA growing reliance on critical tr ansport infrastructure combined with the dependence upon railway for minin g and mineral export has heightened operational requirements and lead to p remature failure of rail components under severe loading conditions caused by plastic deformation\, rolling contact fatigue and accelerated wear rat es. Rail replacement is a costly and disruptive undertaking therefore in-s itu maintenance is necessary for ongoing repairs to keep these extensive r ailway networks operational. Traditional maintenance techniques such as ar c welding can be damaging to the rail and promote undesirable microstructu ral changes and softening due to the large thermal input. Laser cladding i s an emerging regenerative maintenance strategy that utilises a high energ y laser to metallurgically bond a deposition layer that imparts superior m echanical and tribological properties to restore the rail profile. Despite the smaller heat affected zone (HAZ) generated from the reduced thermal i nput\, laser cladding produces a complex residual stress state due to ther mal gradients\, phase changes and solidification shrinkage. It is the comb ination of residual stress and cyclic wheel-rail contact stresses that gov ern the rail fatigue behaviour and susceptibility to wear and defect forma tion\, therefore high internal stresses may increase the likelihood of fai lure. \n\n415SS is a new martensitic stainless steel alloy developed to re condition hypereutectoid rail substrates and contains beneficial compressi ve stresses in the untempered cladding deposition\, determined using neutr on diffraction techniques. For in field applications\, laser cladding repa irs require further tempering and rail grinding procedures to prepare the surface for wheel contact by achieving the required mechanical properties and reducing surface roughness to minimise friction\, wear and noise. Both thermal and machining processes alter the post cladding internal stress s tate which in turn impacts the fatigue behaviour.\n\nNon-destructive neutr on diffraction has been undertaken on the Kowari strain scanner at ANSTO t o assess the effect of post cladding tempering and surface grinding on the residual stress of 415SS clad high carbon rail. The triaxial residual str ess distribution was measured after 350oC and 540oC tempering processes an d surface grinding to remove 0.5 mm and 1.4 mm from the cladding surface. Strain scanning was also performed on a disc with a 0.4µm surface finish. The research outcomes from this investigation will assist in better under standing the effect of post cladding processes on the rail fatigue behavio ur as accurate measurement of the internal stress state is a critical aspe ct in developing a viable laser cladding maintenance strategy. These findi ngs will be used in conjunction with full microstructural and mechanical p roperty evaluation to determine the influence of cladding repairs on rail performance and identify the most desirable parameters for post cladding p rocedures to optimise the operation lifetime of rail components.\n\nhttps: //events01.synchrotron.org.au/event/125/contributions/3713/ LOCATION:Online Event URL:https://events01.synchrotron.org.au/event/125/contributions/3713/ END:VEVENT BEGIN:VEVENT SUMMARY:Assisting polarized neutron experimentalists: Extracting magnetic depth profiles from ab-initio calculations DTSTART;VALUE=DATE-TIME:20201112T062300Z DTEND;VALUE=DATE-TIME:20201112T062400Z DTSTAMP;VALUE=DATE-TIME:20260419T085827Z UID:indico-contribution-125-3711@events01.synchrotron.org.au DESCRIPTION:Speakers: Cortie David (University of Wollongong)\nThe polaris ed neutron reflectometry (PNR) technique measures the magnetic depth profi le with nanometre-scale resolution in thin film structures. Although the r aw experimental data can a rich source of qualitative information\, to ext ract the full quantitative details\, the experimentalist must solve the in verse-problem by postulating models to fit the data to yield the full set information. In PNR\, this can lead to numerous free variables in the mode l\, and unconstrained models are seldom reliable. For solid-state systems \, the number of free variables can be greatly reduced by using a variety of complementary techniques including transmission electron microscopy and Rutherford back-scattering to measure the thin film chemical profile\, an d therefore constrain the nuclear scattering length density of the PNR mod el. Owing to the unique sensitivity of PNR\, however\, there are very few complementary experimental probes that can cross-checking the validity of the magnetic aspect of the model. For this reason\, our group has develope d new approaches using spin polarised DFT calculations to simulate the spi n electronic density and perform averaging to mimic the PNR spatial resolu tion\, to compare with experimental data. These ab-initio techniques only require a crystallographic starting model\, and full ionic relaxation is p erformed in large slab models using the GADI supercomputer to reconstruct ultra-thin films (with thicknesses 1-10 nm). For thicker films\, our group has explored semi-empirical models based on micromagnetic or Monte Carlo simulations where a model Hamiltonian is simulated. \n\nThis poster provid e a few demonstrations of these theoretical techniques supporting PNR for studying ion-beam induced effects in exchange-biased effects in Co/Pd hydr ogen sensors [1]\, NiFe/Fe2O3 bilayers [2] and FePt3 alloys [3].\n\nhttps: //events01.synchrotron.org.au/event/125/contributions/3711/ LOCATION:Online Event URL:https://events01.synchrotron.org.au/event/125/contributions/3711/ END:VEVENT BEGIN:VEVENT SUMMARY:Magnetic properties of the porous coordination polymer Ni3(OH)2(C4 O4)2.3D2O DTSTART;VALUE=DATE-TIME:20201112T062200Z DTEND;VALUE=DATE-TIME:20201112T062300Z DTSTAMP;VALUE=DATE-TIME:20260419T085827Z UID:indico-contribution-125-3709@events01.synchrotron.org.au DESCRIPTION:Speakers: Richard Mole (ANSTO)\nThe magnetism of porous coordi nation polymers is of long standing interest as changes to the hydration l evel of the pore have been shown to drive small changes in the structure o f the framework\, which in turn give rise to large differences in the magn etic properties. This capacity for magneto-structural correlations natura lly leads to ideas such as utilising these properties as a magnetic switch or sensor\, but also allude to the ability of tuning the magnetic propert ies of the material. In the current contribution\, I will report on the c haracterisation of Ni3(OH)2(C4O4)2.3D2O. This porous coordination polymer has a magnetic topology where chains of alternating edge and vertex coupl ed triangles display ferromagnetic exchange interactions. These chains ar e then coupled antiferromagnetically. Application of small magnetic field s can give rise to a ferromagnetic state\, but unusually this does not dis play a magnetic hysteresis. The magnetic phase diagram also shows some ot her unconventional behaviour. We have performed inelastic neutron scatter ing experiments on this materials using the Pelican time-of-flight spectro meter and have analysed the data using linear spin wave theory.\n\nhttps:/ /events01.synchrotron.org.au/event/125/contributions/3709/ LOCATION:Online Event URL:https://events01.synchrotron.org.au/event/125/contributions/3709/ END:VEVENT BEGIN:VEVENT SUMMARY:Elucidation Of The Wave Function Of The Ground Doublet In A Tb Com plex Using INS In A Magnetic Field DTSTART;VALUE=DATE-TIME:20201112T062100Z DTEND;VALUE=DATE-TIME:20201112T062200Z DTSTAMP;VALUE=DATE-TIME:20260419T085827Z UID:indico-contribution-125-3706@events01.synchrotron.org.au DESCRIPTION:Speakers: Simone Calvello (The University of Melbourne)\, Rich ard Mole (ANSTO)\nLanthanoid Single Molecule Magnets (SMMs) are molecular materials that exhibit slow relaxation of the magnetisation of molecular o rigin\, thus showing promise for a wide range of technological application s\, such as spintronic devices\, qubits for quantum computers and molecula r memories. The origin of the energy barrier to the reorientation of the m agnetic moment in a lanthanoid SMM lies in the weak splitting of the atomi c lowest-lying spin-orbit multiplet of the $\\mathrm{Ln}^{III}$ ion\, indu ced by the electron density of the ligands\, into a set of crystal field s tates. Since the crystal field splitting is significantly weaker than othe r energy contributions in lanthanoid complexes\, the details of the ligand -Ln interaction are crucial for the development of SMMs which can operate at high temperatures. \nFor this reason\, it is crucial to achieve a detai led understanding on how the crystal field influences the relaxation of $\ \mathrm{Ln}^{III}$ SMMs\, and to this end computational and theoretical me thods have been very useful to rationalise experimental results\, and are routinely employed in the molecular magnetism literature. On the other han d\, comparison of simulations with different experimental measurements can showcase the shortcomings of the theoretical or computational approach\, providing a rationale on the improvements to introduce in order to improve their ability to successfully describe the properties of the system.\nPre viously\, we have performed Inelastic Neutron Scattering (INS) measurement s on the complex $[\\mathrm{Tb}(\\mathrm{bpy})_2(\\mathrm{Cl}_4\\mathrm{Ca t})(\\mathrm{Cl}_4\\mathrm{CatH})(\\mathrm{MeOH})]$ using the PELICAN inst rument\, where we observed a shoulder to the elastic line which\, after fi tting\, was established to arise from a single transition. While theoretic al calculations of the low-lying energy spectrum of the complex rationaliz ed the observed transition as arising from the quantum tunnelling of the g round Ising doublet\, the predicted tunnelling gap is significantly smalle r than what observed experimentally\, highlighting the inability of such c alculations to correctly predict the electronic properties of the ground s tate of the molecule. \nIn this study\, therefore\, we have measured the I NS spectra for the aforementioned complex\, under the same experimental co nditions of the previous experiment\, employing the newly commissioned mag net on PELICAN\, where the evolution of the observed transition in an incr easing magnetic field would provide useful information on (i) the properti es of the ground state and (ii) the nature of the magnetic transition obse rved in the zero-field spectrum. The measurements show that\, with increas ing magnetic field\, the INS transition (i) becomes less intense\, thus co nfirming our theoretical description of the observed peak as arising from the quantum tunnelling of the ground state\, and (ii) splits into multiple peaks\, both as a result of the usage of a powder sample and the complex spin-orbit composition of the wave function of the ground Ising doublet.\n \nhttps://events01.synchrotron.org.au/event/125/contributions/3706/ LOCATION:Online Event URL:https://events01.synchrotron.org.au/event/125/contributions/3706/ END:VEVENT BEGIN:VEVENT SUMMARY:Investigating methods of minting Ancient Greek silver plated copp er coins: studies in Neutron Tomography\, Texture and Phase Analysis. DTSTART;VALUE=DATE-TIME:20201112T062000Z DTEND;VALUE=DATE-TIME:20201112T062100Z DTSTAMP;VALUE=DATE-TIME:20260419T085827Z UID:indico-contribution-125-3703@events01.synchrotron.org.au DESCRIPTION:Speakers: Scott Olsen (ANSTO)\nNeutron tomographic\, texture a nd phase analyses undetaken on the Neutron Beam Instruments Dingo\, Kowari and Echidna have been employed to investigate plated silver coins minted in Athens and in the Greek colonies of Kroton and Metapontum (Southern Ita ly) during the 6th and 5th centuries BC. The investigation aims to define the plating method by characterising the manufacturing conditions and morp hological and structural features of the specimens. Thickness maps of the silver plating and porosity give an indication on the similarity of the p roduction techniques. The texture analysis gives an indication on the mech anical processes and temperature under which these coins were struck. The status of these coins is uncertain: were they official issues by state-aut horities during periods of silver shortages or the product of ancient or m odern counterfeiters?\n\nhttps://events01.synchrotron.org.au/event/125/con tributions/3703/ LOCATION:Online Event URL:https://events01.synchrotron.org.au/event/125/contributions/3703/ END:VEVENT BEGIN:VEVENT SUMMARY:Deciphering the quaternary structure of PEDOT:PSS solution by comb ining SAXS and SANS characterizations DTSTART;VALUE=DATE-TIME:20201112T061900Z DTEND;VALUE=DATE-TIME:20201112T062000Z DTSTAMP;VALUE=DATE-TIME:20260419T085827Z UID:indico-contribution-125-3702@events01.synchrotron.org.au DESCRIPTION:Speakers: PENG ZHANG (School of Materials Science and Engineer ing\, Sun Yat-sen University)\, Zhen Liu (Sun Yat-sen university)\nPoly(3\ ,4-ethylenedioxythiophene) (PEDOT) is a widely used conductive polymer mat erial for organic thermoelectric device\, stretchable bioelectronics\, opt oelectronics and so on. Its success is largely attributed to the availabil ity of the polymer dispersion. Recently people try to decipher the highly conductive nature of the PEDOT:PSS hybrid from molecular assembly with str uctural hierarchy. Meanwhile\, a quaternary structure is well recognized i n the complex systems like proteins\, and it plays crucial roles in determ ining the protein functionality.Small angle scattering is a widely employe d technique for the structural deciphering of protein solution.In this pre sentation\, we will introduce our recent work on dicphering the quaternary structure of PEDOT:PSS solution based on the combined SAXS and SANS data. \n\nhttps://events01.synchrotron.org.au/event/125/contributions/3702/ LOCATION:Online Event URL:https://events01.synchrotron.org.au/event/125/contributions/3702/ END:VEVENT BEGIN:VEVENT SUMMARY:Exploring a Gallium-Tantalum Dual Doped Lithium Garnet DTSTART;VALUE=DATE-TIME:20201112T061800Z DTEND;VALUE=DATE-TIME:20201112T061900Z DTSTAMP;VALUE=DATE-TIME:20260419T085827Z UID:indico-contribution-125-3696@events01.synchrotron.org.au DESCRIPTION:Speakers: Timothy Christopher (University of Auckland)\nLithiu m garnet oxides have been put forward as a solid-state alternative for Li- ion electrolytes since the Li$^{+}$ conducting abilities of Li$_{7}$La$_{3 }$M$_{2}$O$_{12}$ (M = Ta\, Nb) was discovered in 2003. [1] These solid st ate materials exhibit physical and chemical properties desired for more ef ficient and safer Li-ion battery electrolytes. [2] Lithium garnet oxides c an exist in tetragonal and cubic phase isomorphs with the latter exhibitin g higher conductivities. Li$_{7}$La$_{3}$Zr$_{2}$O$_{12}$ undergoes a phas e transition from cubic to tetragonal due to the thermodynamic unstable na ture of the cubic arrangement. [3] Ionic conductivities of up to 1 x 10$^{ -3}$ S cm$^{-1}$ have been reported for cubic phase garnet materials of Li $_{6.4}$La$_{3}$Zr$_{1.4}$Ta$_{0.6}$O$_{12}$. [4] Here we present a dual d oped garnet series of Li$_{6.75-3x}$Ga$_{x}$La$_{3}$Zr$_{1.75}$Ta$_{0.25}$ O$_{12}$ and attempt to mimic the high conductivities seen in that Li$_{6. 4}$La$_{3}$Zr$_{1.4}$Ta$_{0.6}$O$_{12}$. The successful synthesis of the p roposed series was achieved via standard solid-state sintering from galliu m doping up to x = 0.5. X-ray and neutron powder diffraction characterisat ion revealed that Ga has a preference to occupy the Li tetrahedral (Li24d) site over the octahedral (Li96h) site. High-temperature neutron diffracti on studies show the relationship between temperature\, Ga content\, and Li displacement between the Li24d and Li96h sites. \n\nReferences\n\n[1]. V. Thangadurai\, et al.\, *Journal of the American Ceramic Society*\, 2003\, **86**\, 437-440.\n[2]. V. Thangadurai\, et al.\, *Chemical Society Revie ws*\, 2014\, **43**\, 4714-4727.\n[3]. G. Larraz\, et al.\, *Journal of Ma terials Chemistry A*\, 2013\, **1**\, 11419-11428.\n[4]. M. M. Ahmad\, et al.\, *Journal of Materials Science: Materials in Electronics*\, 2015\, ** 26**\, 8136-8142.\n\nhttps://events01.synchrotron.org.au/event/125/contrib utions/3696/ LOCATION:Online Event URL:https://events01.synchrotron.org.au/event/125/contributions/3696/ END:VEVENT BEGIN:VEVENT SUMMARY:New insights into colloidal phase transitions using neutron scatte ring techniques DTSTART;VALUE=DATE-TIME:20201112T061700Z DTEND;VALUE=DATE-TIME:20201112T061800Z DTSTAMP;VALUE=DATE-TIME:20260419T085827Z UID:indico-contribution-125-3695@events01.synchrotron.org.au DESCRIPTION:Speakers: Katherine Chea (RMIT University)\nK. Chea a\, C. Gar vey b\, W. van Megen a and G. Bryant a\na School of Science (Physics)\, RM IT University\, Melbourne\, Australia.\nb Australian Nuclear Science and T echnology Organisation\, Lucas Heights\, Australia.\n\n\nThe fundamentals of crystallisation and glass formation in atomic systems are not yet fully understood. Hard-sphere colloidal nanoparticles have been shown to be pro mising model systems for understanding crystallisation and glass formation in atomic systems: As colloidal motion is Brownian\, rather than ballisti c\, kinetics and dynamics are orders of magnitude slower than in atomic sy stems and can be studied in real-time. However\, despite previous work\, k ey elements are still missing from our understanding of phase transition i n colloidal suspensions especially regarding metastability\, supercooling and the glass transition. In particular\, there is still no clear understa nding of the effects of polydispersity: although studies of both polydispe rse and binary mixtures of hard sphere colloids have been performed\, a sy stematic study of the effects of polydispersity on structure\, crystallisa tion kinetics and particle dynamics is still lacking.\n\nOne of the reason s for this is the relatively limited types of suspensions which have be st udied - most particles used for such studies need to be suspended in mixed solvents for refractive index matching for light scattering studies\, whi ch introduces potential problems such as selective solvation and evaporati on. In this work we explore the possibility of using ionic liquids (ILs) a nd deep eutectic solvents (DESs) as the suspending solvent\, as these can be tuned to match the refractive index of the particles\, and don’t suff er from evaporation. We will then develop suitable binary colloidal suspen sions consisting of deuterated & non-deuterated nanoparticles suspended in the solvent. With a combination of lab techniques and beam time allocatio ns at the Australian Synchrotron\, ANSTO and overseas neutron facilities\, we will expansively investigate the nature of metastability\, crystallisa tion and the glass transition\, and provide a significant advance on our c urrent understanding of these processes.\n\nhttps://events01.synchrotron.o rg.au/event/125/contributions/3695/ LOCATION:Online Event URL:https://events01.synchrotron.org.au/event/125/contributions/3695/ END:VEVENT BEGIN:VEVENT SUMMARY:Biomedical Applications Of Model Membranes DTSTART;VALUE=DATE-TIME:20201112T061600Z DTEND;VALUE=DATE-TIME:20201112T061700Z DTSTAMP;VALUE=DATE-TIME:20260419T085827Z UID:indico-contribution-125-3694@events01.synchrotron.org.au DESCRIPTION:Speakers: Alex Ashenden (Flinders University)\nAll living orga nisms rely on membranes that act as selectively permeable barriers control ling movement in and out of cells. Model systems such as tethered-bilayer lipid membranes (tBLMs) can be designed to replicate the fundamental struc ture and function of their biological counterparts. This creates a simplif ied pathway for determination of the effects that antimicrobial medicines can have on cell membranes\, as well as opening the door for the developme nt of membrane-based biosensors. \nThe formation of tBLMs involves the bin ding of tethering amphiphilic lipids to a gold surface to create a monolay er tightly bound through gold-sulphur interactions. Further lipid addition results in a highly stable bilayer design that can be used to mimic bacte rial or eukaryotic cell membranes. \nThe structure of tBLMs and how they c hange when exposed to antimicrobials and other molecules can be analysed u sing electrochemical impedance spectroscopy and neutron reflectometry. Res istive and capacitive properties of a model membrane can be approximated w ith an electrical circuit modelling impedance spectroscopy data\, whilst n eutron reflectometry provides a layer-by-layer profile of the membrane’s core structure.\nThis work focuses on the use of these techniques to show 1) how pre-treating a model gram-negative bacterial membrane with gold na noparticles can increase the efficacy of the antibiotic colistin\, 2) how model membranes could be used as a more effective screening mechanism for determining efficacy of antimicrobial polymers and 3) how the stability of model membranes can be effected by temporary dehydration through removal of electrolyte solution.\n\nhttps://events01.synchrotron.org.au/event/125/ contributions/3694/ LOCATION:Online Event URL:https://events01.synchrotron.org.au/event/125/contributions/3694/ END:VEVENT BEGIN:VEVENT SUMMARY:QCM-D and Neutron Reflectometry Study of Effect of Plasma Tretamen t on Cellulose-Mucin Interactions Towards ETSA DTSTART;VALUE=DATE-TIME:20201112T061500Z DTEND;VALUE=DATE-TIME:20201112T061600Z DTSTAMP;VALUE=DATE-TIME:20260419T085827Z UID:indico-contribution-125-3693@events01.synchrotron.org.au DESCRIPTION:Speakers: Arslan Siddique (UNSW Sydney)\nEpidemic thunderstorm asthma (ETSA)[1] is associated with inhalation of airborne pollen grains and aerosolized pollen fragments\, causing hypersensitive immune reactions [2] that might lead to an asthma attack. The wall of pollen grains (intine ) contains cellulose which is hypothesized to initially interact with the nasal and tracheal mucous layer[3] when inhaled. The air-way mucous layer is comprised of mucin (a major glycosylated proteinaceous element) and wat er\, which serves as a first-line-of-defence against inhaled pollen partic les. Although immunological and meteorological studies have been conducted in this regard\, the fundamental cause and mechanism of ETSA are under-in vestigated. This study is focused on unraveling inherent cellulose-mucin i nteractions employing quartz crystal microbalance with dissipation (QCM-D) and neutron reflectometry (NR) examining the adsorption of mucin on cellu lose while mimicking a thunderstorm environment\, such as the affect of pl asma treatment on cellulose-mucin interactions. Here\, we generate air-pl asma and plasma-activated water to treat our model cellulose surfaces[4]\, simulating the ionized surface chemistry of thunderstorm-borne pollen par ticles and examine subsequent interactions.\n\nIn this poster\, we describ e the use of QCM-D and NR to investigate cellulose-mucin interactions and the effect of plasma treatment on these biointerfacial interactions. The a dvanced molecular and structural data obtained from this study\, coupled w ith immunological and meteorological investigations\, will enable the mech anistic understanding\, treatment\, and prevention of ETSA.\n\nReferences\ n\n[1] D. W. Cockcroft\, The Lancet Planetary Health 2018\, 2\, e236-e237. \n[2] K. Hosoki\, I. Boldogh\, S. Sur\, Current opinion in allergy and cli nical immunology 2015\, 15\, 79.\n[3] J. Van Cleemput\, K. C. Poelaert\, K . Laval\, F. Impens\, W. Van den Broeck\, K. Gevaert\, H. J. Nauwynck\, Sc ientific reports 2019\, 9\, 1-15.\n[4] K. Kolářová\, V. Vosmanská\, S. Rimpelová\, V. Švorčík\, Cellulose 2013\, 20\, 953-961.\n\nhttps://ev ents01.synchrotron.org.au/event/125/contributions/3693/ LOCATION:Online Event URL:https://events01.synchrotron.org.au/event/125/contributions/3693/ END:VEVENT BEGIN:VEVENT SUMMARY:The ANSTO contribution to a project to provide experimental standa rds for SAS profile prediction DTSTART;VALUE=DATE-TIME:20201112T061400Z DTEND;VALUE=DATE-TIME:20201112T061500Z DTSTAMP;VALUE=DATE-TIME:20260419T085827Z UID:indico-contribution-125-3692@events01.synchrotron.org.au DESCRIPTION:Speakers: Andrew Whitten (ANSTO)\nThe program CRYSOL1\, was th e first method developed to rapidly calculate small-angle scattering (SAS) profiles from atomic coordinates of biomolecules. It was a major breakthr ough\, providing the missing link between high-resolution structures and s olution SAS data. The importance of this breakthrough is evident in the fa ct that decades later\, alternate methods continue to be published with va rious claims of improvement. \n\nTo date\, each of the alternate methods p ublished have been validated using different data sets and models. A conse nsus set of high quality data would be of considerable value in benchmarki ng the different approaches. In order to evaluate different approaches to including the hydration layer contribution to the SAS profile\, it is desi rable to have data obtained using X-rays (SAXS) and neutrons (SANS)\, the latter in H2O and D2O\, as the hydration layer contribution differs signif icantly for each of these measurements. \n\nTo develop a consensus s et of high quality data\, an international project involving the efforts o f 37 researchers from 11 different X-ray and 3 different neutron scatterin g facilities across Asia\, Europe and North America was undertaken. Here\, we report on the contribution of ANSTO to this international project.\n\n 1Svergun (1995) J. Appl. Cryst. 28:768\n\nhttps://events01.synchrotron.org .au/event/125/contributions/3692/ LOCATION:Online Event URL:https://events01.synchrotron.org.au/event/125/contributions/3692/ END:VEVENT BEGIN:VEVENT SUMMARY:Developments on the Platypus Neutron Reflectometer DTSTART;VALUE=DATE-TIME:20201112T061300Z DTEND;VALUE=DATE-TIME:20201112T061400Z DTSTAMP;VALUE=DATE-TIME:20260419T085827Z UID:indico-contribution-125-3687@events01.synchrotron.org.au DESCRIPTION:Speakers: Stephen Holt (Australian Nuclear Science and Technol ogy Organisation)\nPLATYPUS is the initial neutron reflectometer at the Au stralian Centre for Neutron Scattering with the capability to study surfac e and interface systems ranging from biomolecules\, soft matter through to magnetic thin films [1-3]. There have been a number of significant improv ements to both the instrument and data reduction and treatment software [4 ] over the last two years. On the hardware front the original detector has been replaced yielding higher count-rate capabilities\, greater detection efficiency at shorter wavelengths and significantly lower background. The slits which define the neutron beam have been replaced with upgraded posi tioning mechanisms enabling greater flexibility in experimental setup. The se changes have significantly enhanced the instrument performance with imp roved reproducibility. This presentation will highlight the enhancements a nd recent publications.\n\nhttps://events01.synchrotron.org.au/event/125/c ontributions/3687/ LOCATION:Online Event URL:https://events01.synchrotron.org.au/event/125/contributions/3687/ END:VEVENT BEGIN:VEVENT SUMMARY:Taipan – recent results from the thermal spectrometer at ANSTO DTSTART;VALUE=DATE-TIME:20201112T061200Z DTEND;VALUE=DATE-TIME:20201112T061300Z DTSTAMP;VALUE=DATE-TIME:20260419T085827Z UID:indico-contribution-125-3686@events01.synchrotron.org.au DESCRIPTION:Speakers: Kirrily Rule (ANSTO)\nThe Australian Centre for Neut ron Scattering at ANSTO hosts a suite of four inelastic neutron spectromet ers for investigating dynamics in materials over a variety of energy scale s (up to 200 meV) and energy resolutions (down to 1 μeV). The thermal spe ctrometer\, Taipan\, has operated as a triple-axis spectrometer since 2010 \, and more recently from 2016 it has also incorporated an alternative sec ondary spectrometer\, a beryllium filter analyser spectrometer.\nWe will d escribe the capabilities of Taipan and present some recent scientific high lights. From this we hope to show the versatility of Taipan for measuring both elastic and inelastic data for samples under a wide range of sample environment conditions.\n\nhttps://events01.synchrotron.org.au/event/125/c ontributions/3686/ LOCATION:Online Event URL:https://events01.synchrotron.org.au/event/125/contributions/3686/ END:VEVENT BEGIN:VEVENT SUMMARY:Recent highlights from the cold-neutron triple-axis spectrometer S IKA DTSTART;VALUE=DATE-TIME:20201112T061100Z DTEND;VALUE=DATE-TIME:20201112T061200Z DTSTAMP;VALUE=DATE-TIME:20260419T085827Z UID:indico-contribution-125-3685@events01.synchrotron.org.au DESCRIPTION:Speakers: Shinichiro Yano (NSRRC)\nIn this presentation\, we w ill show the Taiwanese built cold-neutron triple-axis spectrometer SIKA at ACNS which was funded by the Ministry of Science and Technology (MoST)\, Taiwan. We are now running the user program since 2015 with over 20 papers published since then. The cold-neutron triple-axis spectrometer SIKA exce ls at measuring well-defined regions in S(Q\, ω) space with very low back ground allowing for parametric studies (eg varying temperature or magnetic field) to be conducted efficiently. Also\, triple-axis spectrometers hav e the advantage of accommodating a wide variety of sample environments and operating with polarized neutrons for both inelastic and elastic scatteri ng experiments. Triple axis spectrometers have been one of the most versat ile neutron scattering instruments for many areas of neutron science. The cold neutrons available at SIKA allow us to investigate physical phenomena with high energy and momentum resolution. With other inelastic scattering instruments PELICAN\, EMU\, and TAIPAN in ACNS\, ACNS can cover a large a rea of S(Q\, ω) space of your research. \n We will outline the components \, capabilities\, sample environment\, software\, and statistics of SIKA. We will present some of our recent scientific highlights from SIKA since t he last AANSS2018. Finally\, we will present the current instrument develo pments on SIKA to accommodate 3He Polarization analysis. Polarized neutron s can help users to study the properties of materials from proteins to qua ntum magnets in greater detail.\n\nhttps://events01.synchrotron.org.au/eve nt/125/contributions/3685/ LOCATION:Online Event URL:https://events01.synchrotron.org.au/event/125/contributions/3685/ END:VEVENT BEGIN:VEVENT SUMMARY:SANS time-of-flight instrument Bilby at ACNS\, ANSTO DTSTART;VALUE=DATE-TIME:20201112T061000Z DTEND;VALUE=DATE-TIME:20201112T061100Z DTSTAMP;VALUE=DATE-TIME:20260419T085827Z UID:indico-contribution-125-3684@events01.synchrotron.org.au DESCRIPTION:Speakers: Anna Sokolova (Dr)\nANSTO for more than ten years su ccessfully operates Small Angle Neutron Scattering (SANS) instrument Quokk a [1] and in 2016 commenced user operation of the second SANS instrument\, Bilby [2]. Ultra-small angle scattering machine Kookaburra [3] is complet ing the set of the SANS instruments at ANSTO.\nBilby exploits neutron Time -of-Flight (ToF) to extend the measurable Q-range\, over and above what is possible on a conventional reactor-based monochromatic SANS instrument. I n ToF mode\, the choppers are used to create neutron pulses of variable (~ 3% ‒ 30%) wavelength resolution.\nTwo arrays of position-sensitive detec tors in combination with utilizing of wide wavelength range provide the ca pability to collect scattering data of wide angular diapason without chang ing the experimental set-up (maximum accessible Q on the instrument is 0.0 01-1.8Å-1). Additionally to the ToF\, Bilby can operate in monochromatic mode.\nThe question is how the advanced design features can be applied to the real scientific questions.\nIn short\, having a large dynamic range av ailable in one go opens up a possibility to study complex systems like mic elles and hierarchical materials. Additionally\, there is a range of sampl e environments available allowing to change conditions in situ\, which is priceless for study a range of samples stretching from colloids to metals. \nIn my presentation\, I will be giving several examples demonstrating how ToF SANS can bring light to structural changes of the surfactant wormlike micelles structure under various conditions.\nSome cases will be presente d to show that the monochromatic mode is also the one producing valuable r esults.\nThe main accent will be made on a recently published work\, done solely on Bilby along with examples of combining SANS and USANS techniques .\n\n[1] K.Wood et al\, J. Appl. Crystallogr. 51\, 294-341 (2018)\n[2] A. Sokolova et al\, J. Appl. Crystallogr. 52\, 1-12 (2019)\n[3] C. Rehm et al \, J. Appl. Crystallogr. 51\, 1-8 (2018)\n\nhttps://events01.synchrotron.o rg.au/event/125/contributions/3684/ LOCATION:Online Event URL:https://events01.synchrotron.org.au/event/125/contributions/3684/ END:VEVENT BEGIN:VEVENT SUMMARY:Development of Direct Laser Melting (DLM) deposition system for in -situ use on neutron beam instruments DTSTART;VALUE=DATE-TIME:20201112T060900Z DTEND;VALUE=DATE-TIME:20201112T061000Z DTSTAMP;VALUE=DATE-TIME:20260419T085827Z UID:indico-contribution-125-3683@events01.synchrotron.org.au DESCRIPTION:Speakers: Chris Baldwin (ANSTO)\nDirect Laser Melting (DLM) de position is an additive manufacturing technique in which a high power lase r is used to create a melt pool on a workpiece while a jet of metal powder is applied\, resulting in localised material deposition. This technique i s used in industry for additive repairs\, cladding with dissimilar metals\ , or\, in conjunction with a CNC milling machine\, as a full-fledged 3D ad ditive fabrication platform. As the prominence of this technology rises\, so too does interest in characterising deposition dynamics over a vast par ameter space. Neutron beam instruments offer unique capabilities for such characterisation.\n\nAs part of the NSW Research Attraction and Accelerati on Program\, ACNS is developing world first sample environment capabilitie s enabling in-situ laser metal deposition\, for use on KOWARI and DINGO be amline. The system will utilise a self-contained motion stage and laser cl adding head which will construct a thin wall structure on a user specified substrate\, utilising up to two metal powders at a time. Neutron studies of the melt pool or heat affected zone can then be performed during and af ter printing.\n\nThis paper will present the technical specifications and capabilities of the system\, which will be available to the user community in late 2021.\n\nhttps://events01.synchrotron.org.au/event/125/contributi ons/3683/ LOCATION:Online Event URL:https://events01.synchrotron.org.au/event/125/contributions/3683/ END:VEVENT BEGIN:VEVENT SUMMARY:Polarised neutron capabilities at ACNS DTSTART;VALUE=DATE-TIME:20201112T060800Z DTEND;VALUE=DATE-TIME:20201112T060900Z DTSTAMP;VALUE=DATE-TIME:20260419T085827Z UID:indico-contribution-125-3681@events01.synchrotron.org.au DESCRIPTION:Speakers: Andrew Manning (ANSTO)\nThe Australian Centre for Ne utron Scattering offers neutron spin filters for six instruments (WOMBAT\, PELICAN\, QUOKKA\, PLATYPUS\, TAIPAN and SIKA)\, using a combination of s upermirrors and polarised $^3$He cells. The infrastructure required to use $^3$He spin filters is particularly complicated\, and a clear understandi ng of this is pivotal to designing and carrying out successful experiments which take advantage of polarised neutron scattering. Such experiments ty pically investigate systems where detailed study of magnetic effects or t he separation of coherent and incoherent scattering is needed. \n\nHere\, the capabilities for polarised neutron scattering experiments for each of these instruments are summarised\, including compatible sample environment s such as cryostats\, magnets and sample changers\, and a discussion of ke y considerations when planning experiments using polarised neutrons. A new ly-acquired 7 tesla compensated vertical magnet will also be described\, a nd some initial results for its use on the SANS instrument QUOKKA will be presented. Finally\, some possible future directions to further develop th e polarised neutron capabilities at ACNS are outlined.\n\nhttps://events01 .synchrotron.org.au/event/125/contributions/3681/ LOCATION:Online Event URL:https://events01.synchrotron.org.au/event/125/contributions/3681/ END:VEVENT BEGIN:VEVENT SUMMARY:Scientific computing support for neutron scattering experiments at ANSTO DTSTART;VALUE=DATE-TIME:20201112T060700Z DTEND;VALUE=DATE-TIME:20201112T060800Z DTSTAMP;VALUE=DATE-TIME:20260419T085827Z UID:indico-contribution-125-3680@events01.synchrotron.org.au DESCRIPTION:Speakers: Ramzi Kutteh (ACNS - ANSTO)\nThe purpose of the scie ntific computing support at ANSTO is to aid in the interpretation of both\ nstructural and dynamical data from the neutron scattering instruments usi ng atomistic modelling\ncalculations. Most of these calculations are done with ab initio scientific software packages based on\nDensity Functional T heory\, including VASP\, WIEN2K\, ABINIT\, SIESTA\, PHONON\, and QUANTUM\n ESPRESSO\, although some are performed with packages based on classical fo rce\nfields\, such as LAMMPS\, DL_POLY\, NAMD\, and GULP. Analysis of the results of these calculations\nexploits tools such as VMD\, NMOLDYN\, XCRY SDEN\, and ISAACS\, in addition to in-house code.\nCalculations and analys is are carried out locally on a scientific computing Linux cluster compris ing\nboth ACNS dedicated cores and ANSTO shared ones\, with jobs managed b y PBS. We give a brief\noverview of all of the above capabilities and an e xample of a typical calculation/analysis.\n\nhttps://events01.synchrotron. org.au/event/125/contributions/3680/ LOCATION:Online Event URL:https://events01.synchrotron.org.au/event/125/contributions/3680/ END:VEVENT BEGIN:VEVENT SUMMARY:New cell for studying porosity under mechanical and chemical stres s DTSTART;VALUE=DATE-TIME:20201112T060600Z DTEND;VALUE=DATE-TIME:20201112T060700Z DTSTAMP;VALUE=DATE-TIME:20260419T085827Z UID:indico-contribution-125-3679@events01.synchrotron.org.au DESCRIPTION:Speakers: Yeping Ji ()\nTracking Changes in porosity at realis tic underground conditions is of great scientific and technological intere st to the resource industry\, underground aquifer management\, and materia l science\, to name a few. Small Angle Neutron Scattering (SANS) and Ultra -Small Angle Neutron Scattering (USANS) are complementary techniques that can non-destructively investigate open and closed pore structure informati on in 2nm to 20μm range. The recent high-pressure cell developed by Blach is capable of applying uniaxial stress and fluid penetration of the sampl e with a pressure of up to 100MPa independently. This allows contrast matc hing and pore-fluid penetration to be studied at different mechanical load s. We report on our latest results from Quokka and Kookaburra\, showing th e effect of uniaxial strain on the porosity of tight shale rock. As we are in the process of extending the capability of the cell to temperatures ab ove 500°C and adding triple axial strain capability\, we also report on t he optimization of sample thickness and windows. Moreover\, we report on a dditional cell extension work that allows diffraction and X-ray/neutron To mography to be used to study the samples. We are developing the new capabi lities in cooperation with ANSTO\, and we hope to have the system availabl e to general users in 2022.\n\nhttps://events01.synchrotron.org.au/event/1 25/contributions/3679/ LOCATION:Online Event URL:https://events01.synchrotron.org.au/event/125/contributions/3679/ END:VEVENT BEGIN:VEVENT SUMMARY:Recent scientific highlights from the Pelican user programme DTSTART;VALUE=DATE-TIME:20201112T060500Z DTEND;VALUE=DATE-TIME:20201112T060600Z DTSTAMP;VALUE=DATE-TIME:20260419T085827Z UID:indico-contribution-125-3678@events01.synchrotron.org.au DESCRIPTION:Speakers: Dehong Yu (Australian Nuclear Science and Technology Organisation)\nThe direct geometry\, time-of-flight spectrometer Pelican has been in the user programme since October 2014 at the OPAL research rea ctor at the Australian Nuclear Science and Technology Organsiation (ANSTO) . Situated on the cold guide CG1\, Pelican is suited to measuring low ene rgy excitation's from varying materials. This encompasses phenomena that are as diverse as the diffusion of water in clays to the observation of cr ystal field splitting in rare earth magnets. In the current contribution we will highlight some of the recent work that has used Pelican including experiments that use our available range of sample environment equipment w hich includes dilution temperatures\, gas and vapour delivery\, a high tem perature furnace and a conventional cryostat.\n\nhttps://events01.synchrot ron.org.au/event/125/contributions/3678/ LOCATION:Online Event URL:https://events01.synchrotron.org.au/event/125/contributions/3678/ END:VEVENT BEGIN:VEVENT SUMMARY:Status\, statistics\, and recent research highlights from Echidna DTSTART;VALUE=DATE-TIME:20201112T060400Z DTEND;VALUE=DATE-TIME:20201112T060500Z DTSTAMP;VALUE=DATE-TIME:20260419T085827Z UID:indico-contribution-125-3677@events01.synchrotron.org.au DESCRIPTION:Speakers: Max Avdeev (Australian Nuclear Science and Technolog y Organisation\, Australian Centre for Neutron Scattering)\, James Hester (ANSTO)\, Chin-Wei Wang (NSRRC)\nThe Echidna high-resolution powder diffra ctometer remains a reliable and productive ACNS instrument contributing an nually to about 50 published studies done on a wide range of topics\, from magnetic\, energy and planetary materials to cultural heritage and additi ve manufacturing. We will discuss how Echidna has been affected by COVID-1 9 measures\, latest and planned developments\, user programme statistics\, and recent research highlights.\n\nhttps://events01.synchrotron.org.au/ev ent/125/contributions/3677/ LOCATION:Online Event URL:https://events01.synchrotron.org.au/event/125/contributions/3677/ END:VEVENT BEGIN:VEVENT SUMMARY:Wombat – the high intensity diffractometer at OPAL DTSTART;VALUE=DATE-TIME:20201112T060300Z DTEND;VALUE=DATE-TIME:20201112T060400Z DTSTAMP;VALUE=DATE-TIME:20260419T085827Z UID:indico-contribution-125-3676@events01.synchrotron.org.au DESCRIPTION:Speakers: Andrew Studer (ACNS ANSTO)\nWombat is a high intensi ty neutron diffractometer located in the OPAL Neutron Guide Hall. It is pr imarily used as a high-speed powder diffractometer\, but has also expanded into texture characterisation and single-crystal measurement. The high p erformance comes from the combination of a high speed area detector with a large beam guide and correspondingly large crystal monochromator. Wombat can also operate with polarization/analysis.\n \nWombat has been used to e xplore a broad range of materials\, including: novel hydrogen-storage mate rials\, negative-thermal-expansion materials\, methane-ice clathrates\, pi ezoelectrics\, high performance battery anodes and cathodes\, high strengt h alloys\, multiferroics\, superconductors and novel magnetic materials. O ur poster will highlight both the capacity of the instrument\, and some re cent results.\n\nhttps://events01.synchrotron.org.au/event/125/contributio ns/3676/ LOCATION:Online Event URL:https://events01.synchrotron.org.au/event/125/contributions/3676/ END:VEVENT BEGIN:VEVENT SUMMARY:PELICAN –a Time of Flight Cold Neutron Spectrometer – New Capa bilities DTSTART;VALUE=DATE-TIME:20201112T060200Z DTEND;VALUE=DATE-TIME:20201112T060300Z DTSTAMP;VALUE=DATE-TIME:20260419T085827Z UID:indico-contribution-125-3675@events01.synchrotron.org.au DESCRIPTION:Speakers: Dehong Yu (ANSTO)\nThe time-of-flight direct-geometr y neutron spectrometer\, Pelican\, has been in user programme since 2014 a t the OPAL research reactor\, at the Australian Nuclear Science and Techno logy Organisation (ANSTO). The Pelican instrument was designed to meet the diverse requirements of the Australian scientific community from physics\ , chemistry\, material science\, to biology. A wide range of research fiel ds is covered. These include crystal-field excitations\, phonon densities of states\, magnetic excitations for various multifunctional materials inc luding high Tc superconductors\, novel magnetic\, thermoelectric\, ferroel ectric and piezoelectric materials\; molecular dynamics in hydrogen-bonded and storage materials\, catalytic materials\, cements\, soils and rocks\; and water dynamics in proteins and ion diffusion in membranes. Polarized neutrons and polarisation analysis option makes the full use of the neutro n spin to study magnetism and to separate the coherent and incoherent scat terings.\n\nTo cover the broad range of scientific fields\, a series of sa mple environment equipment has been developed. These include a standard c ryofurnace capable of providing sample temperature from 1.5 K to 800 K\, a nd special sample environments such as gas sorption\, light irradiation\, electric fields and dilution temperatures at 50 mK. Recently\, we have fur ther extended the instrument capabilities to high magnetic fields up to 7 T\, a fast dilution system reaching 10 mK\, and a high pressure cell suita ble for pressures up to 2 GPa. These new sample environment capabilities h ave opened up new scientific opportunities on the instrument. In this pres entation\, we shall describe the performance of the new equipment and the potential new science associated with them.\n\nhttps://events01.synchrotro n.org.au/event/125/contributions/3675/ LOCATION:Online Event URL:https://events01.synchrotron.org.au/event/125/contributions/3675/ END:VEVENT BEGIN:VEVENT SUMMARY:Quokka\, the Pinhole Small-Angle Neutron Scattering Instrument at ANSTO DTSTART;VALUE=DATE-TIME:20201112T060100Z DTEND;VALUE=DATE-TIME:20201112T060200Z DTSTAMP;VALUE=DATE-TIME:20260419T085827Z UID:indico-contribution-125-3672@events01.synchrotron.org.au DESCRIPTION:Speakers: Kathleen Wood (Australian Nuclear Science and Techno logy Organisation)\nQuokka was the first Small Angle Neutron Scattering in strument to be in operation at the Australian research reactor\, OPAL [1]. It is a 40 m pinhole instrument operating with a neutron velocity selecto r\, an adjustable collimation system providing source-sample distances of up to 20 m and a two dimensional 1 metre square position-sensitive detecto r\, capable of measuring neutrons scattered from the sample over a seconda ry flight path of up to 20 m. Also offering incident beam polarization and analysis capability as well as lens focusing optics\, Quokka has been des igned as a general purpose SANS instrument with a large sample area\, capa ble of accommodating a variety of sample environments. Calibrated absolute scattering intensity measurements in a standard setup may be made over a range of wavelengths between 4 x 10-3 Å-1 and 0.7 Å-1.\nHere we describe Quokka's design characteristics\, performance and operation\, including a high count rate detector\, installed in 2018.\nOutputs from Quokka have b een published in diverse fields such as magnetism\, metallurgy\, mineralog y\, structural biology\, polymers\, food science and soft matter. We pres ent here a selection of recent scientific highlights.\n\n[1] K. Wood [...] and G. Elliot\, J. Appl. Cryst. 51 (2018) 294.\n\nhttps://events01.synchr otron.org.au/event/125/contributions/3672/ LOCATION:Online Event URL:https://events01.synchrotron.org.au/event/125/contributions/3672/ END:VEVENT BEGIN:VEVENT SUMMARY:Synthesis and structure of ALaTiO4 and A2La2Ti3O10 (A = Na¬+\, K+ ) Ruddlesden-Popper type photocatalysts DTSTART;VALUE=DATE-TIME:20201112T060000Z DTEND;VALUE=DATE-TIME:20201112T060100Z DTSTAMP;VALUE=DATE-TIME:20260419T085827Z UID:indico-contribution-125-3773@events01.synchrotron.org.au DESCRIPTION:Speakers: Junwei Li (the University of Sydney\, school of Chem istry)\nGlobal warming is a current hot topic due to its potential for irr eversible environmental damage. Ambitions were made within the Paris agree ment to limit the temperature rise to be below 1.5 ºC pre-industrial leve l. Alternative fuel sources are needed to replace fossil fuel\, reducing t he emission of greenhouse gases including CO2. Hydrogen gas is one popular choice to replace fossil fuels\, due to its high energy density per unit weight\, with existing technologies utilising hydrogen as energy generator . Hydrogen can be generated renewably by sunlight driven\, photocatalytic water-splitting. Metal oxides\, including those with a Ruddlesden-Popper t ype structures are being studied as potential photocatalysts. The structu re's multiple cationic sites\, which allows for different combinations of metal cations that can be used to adjust the bandgap. The layered structur ing also allows for the intercalation of different cations within the stru cture that allows for modifications post synthesis. KLaTiO4 is a n=1 Ruddl esden-Popper type layered perovskite. KLaTiO4 can be used as a Hydrogen Ev olution Catalyst (HEC)\, producing 9.540 μmol of H2 gas per hour from 20 mg of catalyst\, when using methanol as sacrificial electron donor and pla tinum co-catalyst. \nKLaTiO4 was prepared using traditional solid-state ch emistry methods to provide a sample for both catalytic testing and structu ral studies using neutron diffraction. Synthesis of KLaTiO4 above 900 °C resulted in the presence of K2La2Ti3O10 impurity in the product. K2La2Ti3O 10 is structurally similar to KLaTiO4\, both being layered perovskite of t he Ruddlesden-Popper type structure\, with layers of TiO6. The main differ ence between the two is KLaTiO4 has 1-layer of perovskite-like TiO6 blocks \, while K2La2Ti3O10 has 3-layer perovskite slabs. The sodium analogues\, NaLaTiO4 and Na2La2Ti3O10 can also be made and these are isostructural to their potassium counterparts.\nIn this presentation\, two factors importan t for the synthesis of ALaTiO4 and A2La2Ti3O10 (A = Na¬+\, K+) will be di scussed. The first factor to consider is the volatility of alkaline metal ions at elevated temperatures. Due to this volatility\, excess Na or K nee ds to be included in the initial reagent mixture. Ex-situ XRD measurements showed that if the excess of Na2CO3 was limited to 10%\, neither NaLaTiO4 nor Na2La2Ti3O10 could be made. Successful synthesis of NaLaTiO4 or Na2La 2Ti3O10 required 50 % (minimum tested) alkaline metal reagent excess. The second factor to consider is related to sintering temperature. Multiple sa mples of NaLaTiO4 or Na2La2Ti3O10 were made using traditional solid-state synthesis methods at temperature between 750 °C to 950 °C. Incomplete re action was observed if the temperature was kept below 750 °C during the synthesis\, XRD revealing unreacted La2O3\, as well as other unidentified impurities. It was also discovered that when reagents with the stoichiomet ry to make NaLaTiO4 (with Na2CO3 excess) were sintered above 900 °C Na2La 2Ti3O10 impurities were present\, which is a lower temperature than most l iterature reports. Finally\, Na2La2Ti3O10 was made at 800 °C\, which is l ower than other literature reports\, and the temperature which NaLaTiO4 wa s found to be made at good purity.\n\nhttps://events01.synchrotron.org.au/ event/125/contributions/3773/ LOCATION:Online Event URL:https://events01.synchrotron.org.au/event/125/contributions/3773/ END:VEVENT BEGIN:VEVENT SUMMARY:Australian Centre for Neutron Scattering Update DTSTART;VALUE=DATE-TIME:20201111T040000Z DTEND;VALUE=DATE-TIME:20201111T042000Z DTSTAMP;VALUE=DATE-TIME:20260419T085827Z UID:indico-contribution-125-3861@events01.synchrotron.org.au DESCRIPTION:Speakers: Jamie Schulz (ANSTO)\nThe Australian Centre for Neut ron Scattering (ACNS) utilises neutrons from Australia's multi-purpose res earch reactor\, OPAL\, to solve complex research and industrial problems f or Australian and international users via merit-based access and user-pays programs. Neutron scattering techniques provide the research community an d industry with unique tools to study the structure\, dynamics and propert ies of a range of materials\, helping scientists understand why materials have the properties they do\, and helping tailor new materials.  \n\nAn u pdate will be given on the OPAL reactor and its neutron beam facilities\, the status of the neutron beam instruments and supporting capabilities\, u ser program\, and future plans.\n\nhttps://events01.synchrotron.org.au/eve nt/125/contributions/3861/ LOCATION:Online Event URL:https://events01.synchrotron.org.au/event/125/contributions/3861/ END:VEVENT BEGIN:VEVENT SUMMARY:Neutron scattering for quantum magnetism DTSTART;VALUE=DATE-TIME:20201111T070000Z DTEND;VALUE=DATE-TIME:20201111T080000Z DTSTAMP;VALUE=DATE-TIME:20260419T085827Z UID:indico-contribution-125-3795@events01.synchrotron.org.au DESCRIPTION:Speakers: Andrey Zheludev (ETH Zürich)\nArguably\, materials magnetism has benefited from neutron scattering experiments more than almo st any other field of condensed matter physics. For this there are good re asons. Neutron diffraction directly couples to the magnetic order paramete r\, even in complex structures with non-trivial propagation vectors. In ma ny cases it is the only experimental tool available to study the latter. A t the same time\, inelastic neutron scattering has a large contribution fr om elementary excitations (spin waves). Using modern neutron instrumentati on measuring magnon dispersion relations\, structure factors and lifetimes has become almost ridiculously easy. Once we know the ground state and el ementary excitations\, we know almost all there is to know about a magneti c material. In this way\, a comprehensive neutron scattering investigation has definitively "closed the book" on many a problem in magnetism. At lea st\, such was the state of affairs in **quasiclassical** magnetism...\n\nT he focus today is on **quantum** magnets. To understand the beautiful and complex physics of these deceptively simple systems we need neutron scatte ring more than ever. Unfortunately\, its advantages are less overwhelming than in the quasiclassical case. First of all\, many of the more interesti ng quantum magnets do not have any dipolar order in the ground state\, mak ing neutron diffraction essentially useless. Some systems remain truly dis ordered even at T=0 due to zero point spin fluctuations. Others\, such as spin nematics\, have order parameters that are invisible to neutron scatte ring. Spin liquids\, presently the "hottest" topic in quantum magnetism ha ve peculiar topological order that entirely eludes detection. The situatio n with excitations is no better. Elementary excitations in quantum spin sy stems are often not magnons but exotic quasiparticles with fractional quan tum numbers. Magnetic inelastic scattering is of course present\, but is a diffuse and often rather featureless multiparticle continuum. Dispersion relations of the actual elementary excitations are inaccessible.\n\nDoes t his mean that neutron scattering is useless in the study of quantum magnet ism? Of course not! It only means that neutrons are no longer the ultimate silver bullet and should be intelligently combined with other methods: ma gnetic thermodynamics\, local probe techniques (NMR\, muSR)\, light scatte ring and even dielectric measurements. For correct data interpretation qua ntitative theoretical numerical modeling of neutron spectra becomes crucia lly important. So does sample quality and a good control of materials-rela ted issues. Neutron experiments themselves need to be taken to a new level in terms of resolution\, intensity and quantitative accuracy. \n\nMy talk will be divided into two parts. In the first half I will illustrate the a bove-mentioned points with some recent examples of successful (and not-so- successful) neutron scattering studies of novel quantum spin systems from literature. In the second half I will present a more in-depth case study f rom my own research: the investigation of "presaturation" phases in frustr ated quantum ferro-antiferromagnets and the ongoing search for the quantum spin nematic state.\n\nhttps://events01.synchrotron.org.au/event/125/cont ributions/3795/ LOCATION:Online Event URL:https://events01.synchrotron.org.au/event/125/contributions/3795/ END:VEVENT BEGIN:VEVENT SUMMARY:Current high-pressure capabilities at ACNS and future plans DTSTART;VALUE=DATE-TIME:20201113T051500Z DTEND;VALUE=DATE-TIME:20201113T053500Z DTSTAMP;VALUE=DATE-TIME:20260419T085827Z UID:indico-contribution-125-3808@events01.synchrotron.org.au DESCRIPTION:Speakers: Helen Maynard-Casely (Australian Nuclear Science and Technology Organisation)\nHigh-pressure (>1 Kbar) is a marvellous variabl e\, which can reveal mechanical properties\, structural transitions and ex otic behaviours. This pairs very well with neutron scattering\, where the highly penetrating nature of neutron beams is idea for accessing sample w ithin complex sample environments. The Australian Centre for Neutron Sca ttering (ACNS) has developed a number of capabilities for high-pressure ex periments\, mainly revolving around the use of our Paris-Edinburgh press b ut more recently with miniature diamond-anvil cells. Some of these\, such as our ability to compress radioactive samples as well as combining high- pressure and high-electric fields are unique in the world. Here we review the high pressure capabilities at ACNS\, and outline some directions for capabilities and measurements.\n\nhttps://events01.synchrotron.org.au/even t/125/contributions/3808/ LOCATION:Online Event URL:https://events01.synchrotron.org.au/event/125/contributions/3808/ END:VEVENT BEGIN:VEVENT SUMMARY:Thermal and Mechanical Analyses of Dental Composites for Class II Cavity Restoration in a Molar Tooth: A Finite Element Study DTSTART;VALUE=DATE-TIME:20201113T045400Z DTEND;VALUE=DATE-TIME:20201113T051400Z DTSTAMP;VALUE=DATE-TIME:20260419T085827Z UID:indico-contribution-125-3751@events01.synchrotron.org.au DESCRIPTION:Speakers: Jerrin Thadathil Varghese (School of Mechanical and Manufacturing Engineering\,)\nFlowable dental resin composites have subst ituted mercury-based amalgam as dental restorations over the past decade d ue to amalgam’s biological adverse effect. The flowable dental resin com posites are more preferred due to their material properties\, aesthetics\, and minimal invasiveness. Therefore\, the effect of thermal and mechanica l stimuli on resin dental composites is an area of active research. This s tudy describes the construction of three-dimensional finite element models of a posterior molar tooth based on data obtained from micro-CT. The scan ned tooth consisted of 872 slices that were segmented and meshed in Mimics Innovation Suite software to obtain separate geometric models of enamel\, dentine\, and pulp. The segmentation process involved mask creation throu gh threshold sets\, followed by manual inputs through multiple slice editi ng. Geometric models were imported to a commercial finite element analysis (FEA) software and conditions such as an intact\, cavitied\, and filled t ooth were simulated for Class II dental cavity restoration. The material p roperties of each model were assumed to be homogenous and isotropic with e lastic behaviour. Transient thermal analysis was conducted to determine th e temperature change within each model. The ambient tooth temperature was assumed to be 37°C with extremities in thermal stimuli to be 2°C and 50 °C. Moreover\, the models were subjected to loading of 400N on the occlus al surface to imitate a bite force at ambient tooth temperature. The strai n and stress distributions in the tooth\, and tooth restoration\, due to t hermal and mechanical loading\, were studied to optimise the Class II dent al cavity restoration. The finite element simulations showed that restorat ive filling materials with higher Young’s modulus and larger coefficient of thermal expansion independently results in higher stress levels. The r egions of higher stress on the tooth model were detected and the effects o f temperature and mechanical load variations on restoration microleakage w ere discussed. This study investigated the potential application of three- dimensional finite element modelling for optimizing restorative materials. \n\nKeywords: Dental composite\; Thermal stress\; Temperature distribution \; Strain analysis\; Finite element method\; amalgam\; Flowable\n\nhttps:/ /events01.synchrotron.org.au/event/125/contributions/3751/ LOCATION:Online Event URL:https://events01.synchrotron.org.au/event/125/contributions/3751/ END:VEVENT BEGIN:VEVENT SUMMARY:Austenite formation kinetics from multicomponent cementite-ferrite aggregates by in situ neutron powder diffraction DTSTART;VALUE=DATE-TIME:20201113T043300Z DTEND;VALUE=DATE-TIME:20201113T045300Z DTSTAMP;VALUE=DATE-TIME:20260419T085827Z UID:indico-contribution-125-3754@events01.synchrotron.org.au DESCRIPTION:Speakers: Yuxiang Wu (Monash University)\nThe development of t hird generation advanced high strength steels (AHSS) as the next generatio n sheet steel grade is driven by the automotive industry. The key processi ng step is called ‘intercritical annealing’ at temperatures in the reg ion of the ferrite and austenite two-phase field. The transformed austenit e during intercritical annealing will be retained at a metastable state in the final microstructure. Controlling the fraction and chemistry of auste nite and resulting mechanical properties is critical for many AHSS. \n\n \ nThe kinetics of austenite formation depend sensitively on the initial mic rostructure and annealing conditions. In this talk\, we will present detai led kinetic studies of austenite formation from cementite-ferrite aggregat e in a range of AHSS grades via in situ neutron powder diffraction at WOMB AT. The quantitative phase analyses highlight that the saturation of trans formation kinetics in relation to global equilibrium is affected by the co mpetition between different interface migration. Depending on the relative contribution of cementite dissolution in respect to migrating interface o f austenite/ferrite\, the incomplete dissolution of enveloped cementite li mited by slow diffusion in austenite could result in austenite plateauing below equilibrium\, while fast dissolution of matrix cementite could resul t in austenite plateau above equilibrium. Both contributions need to be co nsidered and modelled to describe the austenite formation kinetics. The ex perimental and computational work in this contribution would guide future processing and alloy design of AHSS.\n\nhttps://events01.synchrotron.org.a u/event/125/contributions/3754/ LOCATION:Online Event URL:https://events01.synchrotron.org.au/event/125/contributions/3754/ END:VEVENT BEGIN:VEVENT SUMMARY:‘One layer at a time’: Unlocking Novel Materials and Structure s for Neutron Radiation Environments through Additive Manufacturing DTSTART;VALUE=DATE-TIME:20201113T035000Z DTEND;VALUE=DATE-TIME:20201113T042000Z DTSTAMP;VALUE=DATE-TIME:20260419T085827Z UID:indico-contribution-125-3797@events01.synchrotron.org.au DESCRIPTION:Speakers: Jonathan Knott (University of Wollongong)\nThe fact that neutrons can penetrate deeply makes them an excellent tool for probin g the inner \nstructures of materials\, however this property also means t hat effective management of neutron \nradiation is a central challenge in nuclear engineering\, neutron beam science and in the \nelectronics indust ry. Neutrons also form a significant proportion of space radiation\, and t herefore \nnovel\, lightweight materials and structures for space radiatio n shielding are at the forefront of \nAustralian and international space s cience development.\nAdditive Manufacturing provides opportunities for cre ating novel structures with often complex \ngeometries\n– and in materia ls not otherwise possible with traditional manufacturing techniques.\nWe h ave brought together a team through the ANSTO-UOW Seed Funding Scheme to f ocus on the question: \n“Can the structures and materials made possible by additive manufacturing enable novel solutions \nfor neutron radiation e nvironments?”\nOur work to date has focused on three main themes:\n**THE ME 1** – Polymers for neutron shielding and collimation: particularly fo cusing on boron \nnitride/polymer composites and the possibilities these c omposites\, coupled with 3D printing \ntechniques\, can open for neutron s hielding and collimation applications – both terrestrial- and \nspace-ba sed\;\n**THEME 2** – Low-hydrogen polymers for neutron sample environmen ts: focusing on 3D-printable polymers \nfor additive manufacturing low-bac kground components for neutron sample environments\;\n**THEME 3** – Meta ls and alloys for neutron sample environments: investigating additive manu facturing \nof metals\n– particularly aluminium – and alloys for neutr on environment components.\nThis presentation discusses the opportunities and some of the promising approaches for neutron \nenvironment additive ma nufacturing and novel composite materials – with specific examples\nand initial results from this collaborative endeavour.\n\n \n\n*Figure 1 - Neu tron transmission reduction from different thickness/BN % configurations o f boron \nnitride/polyurethane composite ples - taken at ANSTO using the T aipan instrument (left)\; and \ntitanium 3D printed 'sample t) showing the\ncapabilities of metal additive manufactur ing for producing neutron environment components.*\n\nhttps://events01.syn chrotron.org.au/event/125/contributions/3797/ LOCATION:Online Event URL:https://events01.synchrotron.org.au/event/125/contributions/3797/ END:VEVENT BEGIN:VEVENT SUMMARY:Neutron techniques in Archaeometry DTSTART;VALUE=DATE-TIME:20201113T023000Z DTEND;VALUE=DATE-TIME:20201113T030000Z DTSTAMP;VALUE=DATE-TIME:20260419T085827Z UID:indico-contribution-125-3794@events01.synchrotron.org.au DESCRIPTION:Speakers: Filomena Salvemini (ANSTO)\nThe application of scien ce and technology to the characterization and the conservation of heritage materials has significantly increased over the last decades. Due to the m anifold nature and the value of artefact of cultural heritage significance \, studies in archaeometry require a transdisciplinary approach as well as the use of non-invasive multiple analytical techniques. \nToday ANSTO’s large suite of capabilities and expertise is available for cultural herit age research. In order to promote access by cultural institution and resea rchers to the unique range of nuclear methods available across ANSTO’s c ampuses\, a strategic scientific research project on Cultural Heritage was initiated in 2015. \nThis paper will showcase how neutron methods have be en successfully applied in a series of forensic investigations conducted i n close collaboration with Australian and international museums\, institut ions and universities.\n\nhttps://events01.synchrotron.org.au/event/125/co ntributions/3794/ LOCATION:Online Event URL:https://events01.synchrotron.org.au/event/125/contributions/3794/ END:VEVENT BEGIN:VEVENT SUMMARY:Sub-3nm cobalt nanoparticles embedded in titania glass via ion imp lantation studied by polarised neutron reflectometry DTSTART;VALUE=DATE-TIME:20201113T011400Z DTEND;VALUE=DATE-TIME:20201113T012600Z DTSTAMP;VALUE=DATE-TIME:20260419T085827Z UID:indico-contribution-125-3746@events01.synchrotron.org.au DESCRIPTION:Speakers: Abuduliken Bake (University of Wollongong)\nSynthesi s of stable metallic cobalt particles at the nanoscale is challenging usin g chemical methods due to their unstable nature and their tendency to oxid ise. Nevertheless\, ultra-small metallic cobalt nanoparticles offer unusua l electronic and magnetic properties including large spin moments and magn etic anisotropy[1] [2]. Here we report the use of ion beam implantation to synthesis stable metallic cobalt nanoparticles embedded within TiO2-x thi n films. Scanning transmission electron microscopy (STEM) images revealed that the Co nanoclusters were around 1-3 nm in size. The blocking temperat ure of Co nanoparticles is estimated to be TB = 6.5 K from the field-coole d and zero-field-cooled magnetization curves. Polarised neutron reflectome try (PNR) measurements reveal superparamagnetic behaviour with a strong te mperature dependency due to the small size of the nanoclusters. The nuclea r scattering length density\, together with near-edge X-ray absorption spe ctroscopy (NEXAFS) show that the magnetic cobalt clusters are metallic and unoxidized below the TiO2-x surface\, whereas near the surface the cluste rs are prone to form cobalt oxides in a magnetic dead layer that extends o ver a few nanometers. Our results show that ion beam synthesis can produce ultra-small particles that are not possible with other methods\, and thes e particles survive for long periods without much oxidation.\nReferences:\ n1. Controlling Cobalt Nanoparticles. Science\, 2001. 291(5511): p. 2043-2 043.\n2. Cortie\, D.L.\, et al.\, Enhanced Magnetization of Cobalt Defect Clusters Embedded in TiO2− δ Films. ACS applied materials & interfaces\ , 2017. 9(10): p. 8783-8795.\n\nhttps://events01.synchrotron.org.au/event/ 125/contributions/3746/ LOCATION:Online Event URL:https://events01.synchrotron.org.au/event/125/contributions/3746/ END:VEVENT BEGIN:VEVENT SUMMARY:Inelastic Neutron Scattering of Lanthanoid-Radical Molecular Nanom agnets DTSTART;VALUE=DATE-TIME:20201113T010200Z DTEND;VALUE=DATE-TIME:20201113T011400Z DTSTAMP;VALUE=DATE-TIME:20260419T085827Z UID:indico-contribution-125-3744@events01.synchrotron.org.au DESCRIPTION:Speakers: Maja Dunstan (University of Melbourne)\nSingle-molec ule magnets (SMMs) are materials which exhibit slow relaxation of magnetiz ation and quantum tunneling of molecular origin. These properties make the m promising for future applications in high-density data storage\, as qubi ts in quantum computing\, and in molecular spintronics.[1] The best perfor ming SMMs are complexes of the late trivalent lanthanoid (Ln(III)) ions. T he energy barrier to reversal of magnetization here stems from the crystal field (CF) splitting of the spin-orbit coupled ground state with total an gular momentum *J*. The identity and geometry of the coordinated ligands d etermines the relative order\, energy and composition of these CF states\, such that appropriate choice of ligands can tune the CF splitting and the refore the SMM behaviour. \n\nIncorporation of organic radicals can be use d to improve SMM behaviour\, by shifting quantum tunneling of the magnetis ation\, a through-barrier relaxation pathway\, from zero field.[2] The nat ure of magnetic exchange coupling between a Ln(III) ion and another parama gnetic moiety is\, however\, hard to determine\, and often cannot be deter mined directly due to the large spin-orbit coupling inherent in many Ln co mpounds. Inelastic neutron scattering is a powerful experimental technique for directly measuring the CF splitting and exchange coupling in Ln(III) compounds.[3]\n\nOur group has been studying a family of compounds with fo rmula [Ln(dbsq)Tp2]\, Tp– = tris(pyrazolyl)borate\, dbsq– = 3\,5-di-te rt-butyl-semiquinonate\, which show exchange coupling between the Ln(III) ion and the dbsq organic radical.[4] We have studied the INS spectra the L n = Tb\, Ho\, Er\, and Yb analogues on the cold neutron time-of-flight spe ctrometer PELICAN\, as well as their magnetic properties. We observe tempe rature dependent CF transitions\, which are compared to the energy level s plitting obtained from electronic structure calculations\, as well as exch ange transitions in two analogues\, which give us both the magnitude of an d spatial information about the exchange coupling in this family of compou nds. \n\n[1] S. T. Liddle\, J. van Slageren\, *Chem. Soc. Rev.* **2015**\ , *44*\, 6655–69.\n[2] S. Demir\, I.-R. Jeon\, J. R. Long\, T. D. Harri s\, *Coord. Chem. Rev.* **2015**\, *289–290*\, 149–176.\n[3] M. A. Du nstan\, R. A Mole\, C. Boskovic\, *Eur. J. Inorg. Chem.* **2019**\, *8*\, 1090-1105.\n[4] A. Caneschi\, A. Dei\, D. Gatteschi\, S. Poussereau\, L. Sorace\, *Dalton Trans.* **2004**\, *24*\, 1048–1055.\n\nhttps://events0 1.synchrotron.org.au/event/125/contributions/3744/ LOCATION:Online Event URL:https://events01.synchrotron.org.au/event/125/contributions/3744/ END:VEVENT BEGIN:VEVENT SUMMARY:Comparing inelastic neutron scattering with theory to understand t he complex magnetic interactions in a low-dimensional frustrated magnet DTSTART;VALUE=DATE-TIME:20201113T005000Z DTEND;VALUE=DATE-TIME:20201113T010200Z DTSTAMP;VALUE=DATE-TIME:20260419T085827Z UID:indico-contribution-125-3747@events01.synchrotron.org.au DESCRIPTION:Speakers: Jackson Allen (Australian Centre for Neutron Scatter ing)\nFrustrated magnetic systems have gained a lot of recent interest as they can exhibit exotic magnetic quantum states such as spin-liquid and sp in-nematic states [1\,2]. The natural mineral atacamite\, Cu$_2$Cl(OH)$_3$ \, is one such material which has been reported to exhibit magnetic behavi our characteristic of a frustrated quantum magnet [3]. It also shares stru ctural similarity with another cuprate\, herbertsmithite\, whose kagomé l attice is predicted to host a spin liquid ground state [4]. \n\nLittle is understood about the magnetic properties of the natural orthorhombic struc ture of atacamite in contrast to its other structural polymorphs. This wor k studies this lesser understood orthorhombic atacamite\, where Cu$^{2+}$ ions form a pyrochlore lattice. The novel magnetic interactions and quantu m states in materials like atacamite lends itself to spintronic applicatio ns where understanding spin interactions can unveil opportunities for inte ntionally manipulating these spins. \n\nTime-of-flight inelastic neutron s cattering measurements on single crystalline atacamite have been performed at Pelican with an incident wavelength of 4.69Å. Excitations were observ ed at 1.5K\, and weakened as temperature was increased beyond the antiferr omagnetic transition temperature of T$_N$ = 9.0K [5] to 20K. The strongest dispersion was found along the H00 direction with two nested modes observ ed up to an energy transfer of 3meV. Relatively weak dispersion was seen a long 00L\, and a flat mode was observed in out-of-plane scattering coverin g a narrow section in 0K0. \n\nAb initio band structure calculations have indicated a 1D sawtooth chain model for the dominant magnetic exchange pat hs in atacamite [6]. This chain model can be consolidated with our neutron scattering measurements and SpinW calculations. However\, the relative ma gnitudes and directions of the predicted exchange couplings indicate the s trongest interactions to be along 0K0\, and this does not agree with the s trongest dispersion measured experimentally in the H00 direction at zero f ield.\n\nTo better understand the interactions in atacamite\, in-field tim e-of-flight measurements have also been conducted in magnetic fields up to 6.5T\, applied along the crystallographic *b*-axis. Data were collected u sing Pelican and the new open geometry\, fully compensated\, 7T vertical m agnet.\n\nWe will present the results of these inelastic neutron scatterin g measurements along with corresponding SpinW calculations to address the inconsistencies between theory and data when considering the exchange inte ractions in atacamite. \n\n\nReferences:\n[1] A. V. Chubukov\, Phys. Rev. B **44**\, 4693\, (1991) \n[2] L. Balents\, Nature **464**\, 199\, (2010) \n[3] X.G. Zheng et al. Phys. Rev. B **71**\, 174404\, (2005) \n[4] T. Han et al. Nature **492**\, 406\, (2012)\n[5] X.G. Zheng et al. Solid State C ommun. **130**\, 107\, (2004)\n[6] L. Heinze et al.\, arXiv:1904.07820 (20 19)\n\nhttps://events01.synchrotron.org.au/event/125/contributions/3747/ LOCATION:Online Event URL:https://events01.synchrotron.org.au/event/125/contributions/3747/ END:VEVENT BEGIN:VEVENT SUMMARY:Infrared catastrophe in two-dimensional quantum antiferromagnets: spectral damping without quasiparticle decay. DTSTART;VALUE=DATE-TIME:20201113T003000Z DTEND;VALUE=DATE-TIME:20201113T005000Z DTSTAMP;VALUE=DATE-TIME:20260419T085827Z UID:indico-contribution-125-3748@events01.synchrotron.org.au DESCRIPTION:Speakers: Oleg Sushkov (University of New South Wales)\nWe con sider two-dimensional quantum antiferromagnets in disordered phases. The d isorder can be due to a finite temperature or due to the quantum Lifshitz criticality. In these situations quasiparticles have very long or even infinite lifetime. We demonstrate that in spite of very long lifetime of quasiparticles such systems manifest a broad non-Lorentzian frequency res ponse to a physical probe. This analysis forms the basis for a new paradig m describing the interaction of experimental probes with a physical system \, where broadening is due neither to the lifetime\, nor to the emergence of fractional quasiparticles. Instead\, strong fluctuations drive the prob e to absorb and radiate an infinite number of arbitrarily low energy quasi particles\, leading us to draw parallels with the infrared catastrophe in quantum electrodynamics.\n\nhttps://events01.synchrotron.org.au/event/125/ contributions/3748/ LOCATION:Online Event URL:https://events01.synchrotron.org.au/event/125/contributions/3748/ END:VEVENT BEGIN:VEVENT SUMMARY:Neutron scattering study on materials with colossal barocaloric ef fects DTSTART;VALUE=DATE-TIME:20201113T000000Z DTEND;VALUE=DATE-TIME:20201113T003000Z DTSTAMP;VALUE=DATE-TIME:20260419T085827Z UID:indico-contribution-125-3745@events01.synchrotron.org.au DESCRIPTION:Speakers: Bing Li (Institute of Metal Research Chinese Academ y of Sciences)\nCaloric materials are systems that exhibit significant the rmal effects at phase transitions induced by external fields like temperat ure\, pressure\, stress\, magnetic fields\, and so forth. They can be used for the solid-state refrigeration through a designated cooling cycle. The core physical issue of caloric materials is the evolutions of atomic stru ctures and interactions as a function of these driving forces in multiple spatial and temporal scales. State-of-the-art characterization techniques based on large-scale facilities such as neutron scattering are highly desi rable in this case due to the powerful experimental abilities and versatil e sample environments. In this presentation\, I will report several case s tudies of colossal barocaloric effects using neutron scattering techniques . Pressure-dependent neutron scattering measurements on the prototype neop entylglycol as well as other novel systems reveal that colossal barocalori c effects can be attributed to the interplay between extensive orientation al disorder and anharmonic lattice dynamics of materials.\n\nhttps://event s01.synchrotron.org.au/event/125/contributions/3745/ LOCATION:Online Event URL:https://events01.synchrotron.org.au/event/125/contributions/3745/ END:VEVENT BEGIN:VEVENT SUMMARY:Morphological transitions in aqueous surface active ionic liquid i nfluenced by additives investigated through SANS DTSTART;VALUE=DATE-TIME:20201112T233000Z DTEND;VALUE=DATE-TIME:20201112T235000Z DTSTAMP;VALUE=DATE-TIME:20260419T085827Z UID:indico-contribution-125-3743@events01.synchrotron.org.au DESCRIPTION:Speakers: Monika Jain ()\nDesigning microscopic interactions j udiciously in the amphiphilic systems with added additives is advantageous in order to design various morphologies. Apart from the biological releva nce\, ease of formation\, and long-term stability\, catanionic systems cou ld form various morphologies including vesicles\, which are the best alter natives to liposomes and niosomes and are potentially the best ever cavity to carry the drug molecules within its cage/bilayer. In a quest for the b est catanionic system to sequester functional molecules\, herein we have i nvestigated the concentration/composition induced morphological transition s in the catanionic systems comprising of surface-active ionic liquids (SA ILs) and various inorganic and organic electrolytes. The variables studied for the phase transition and the shape and size of the aggregates include s\; alkyl chain length and head group structures of the SAILs and the conc entration and structure of the additives. We used various spectroscopic\, microscopic and scattering techniques to determine the size and shape of t he aggregates including SANS. The micelle to vesicle transition through ad ded additive is investigated by SANS. The size of micelle\, vesicle and bi layer thickness of vesicle is also determined through SANS. For the first time\, we used fluorescence resonance energy transfer (FRET) to determine the size of the aggregates and prove the significance of this technique by correlating data with SANS data. This work could be of interest in the fi eld of drug delivery as the possible new age nanocarriers.\n\nhttps://even ts01.synchrotron.org.au/event/125/contributions/3743/ LOCATION:Online Event URL:https://events01.synchrotron.org.au/event/125/contributions/3743/ END:VEVENT BEGIN:VEVENT SUMMARY:Investigating the Aqueous Swelling and Stability of Plasma Polymer ised Acrylic Acid Films DTSTART;VALUE=DATE-TIME:20201112T231000Z DTEND;VALUE=DATE-TIME:20201112T233000Z DTSTAMP;VALUE=DATE-TIME:20260419T085827Z UID:indico-contribution-125-3740@events01.synchrotron.org.au DESCRIPTION:Speakers: Karyn Jarvis (Swinburne University of Technology)\nP lasma polymer films have been deposited on planar surfaces for a wide vari ety of applications\, such as controlling cell growth or adding anchor mol ecules for biosensors. They can however also be deposited onto three dimen sional objects\, such as tissue engineering scaffolds\, biomedical implant s or 3D printed devices. Coating three-dimensional objects however is more complex as greater monomer fragmentation occurs closer to the electrode. It is therefore important to understand the properties of the plasma polym er films deposited at varying distances from the electrode. The use of pla sma polymer films in biomedical applications also requires suitably stable films under physiological conditions\, which will also be influenced by t he distance from the electrode. Significant changes in film properties in aqueous conditions have serious implications on the incorporation of these films into a number of devices.\n\nAcrylic acid is a commonly used monome r for plasma polymerisation to produce negatively charged carboxylic acid terminated surfaces\, which have been used for a number of biomedical appl ications by manipulating cell growth. To gain a greater understanding of t he spatially dependent behaviour of plasma polymerized acrylic acid (ppAAc ) films deposited in our custom-built stainless steel T-shaped reactor\, p pAAc films were deposited at varying distances from the electrode (3 – 1 9 cm) at different deposition powers (5 – 80 W). The surface chemistry w as analysed with X-ray photoelectron spectroscopy while the film thickness was determined using spectroscopic ellipsometry. Film swelling of a selec ted group of samples was investigated with neutron reflectometry. Aqueous stability was investigated via immersion in Milli-Q and phosphate buffered saline. The film thicknesses and aqueous stability decreased while the ca rboxyl group concentrations increased as the distance from the electrode i ncreased and/or the deposition power decreased due to reduced monomer frag mentation further from the electrode and at lower powers. For films deposi ted 11 cm from the electrode\, complete film loss occurred at 20 W with fi lm swelling at 30 W but no swelling at 40 W. This work highlights the impo rtance of having a spatially well characterised plasma reactor to enable t he deposition of plasma polymer films with the desired properties\, which has significant implications on the incorporation of these films into a nu mber of applications.\n\nhttps://events01.synchrotron.org.au/event/125/con tributions/3740/ LOCATION:Online Event URL:https://events01.synchrotron.org.au/event/125/contributions/3740/ END:VEVENT BEGIN:VEVENT SUMMARY:Effect of molybdenum on the precipitation in ferritic niobium-cont aining steels produced by strip casting DTSTART;VALUE=DATE-TIME:20201112T225000Z DTEND;VALUE=DATE-TIME:20201112T231000Z DTSTAMP;VALUE=DATE-TIME:20260419T085827Z UID:indico-contribution-125-3742@events01.synchrotron.org.au DESCRIPTION:Speakers: Lu Jiang (Deakin University)\nMolybdenum (Mo) is oft en alloyed into the steels containing niobium (Nb)\, in order to enhance t he formation of harder microstructures\, such as bainite and acicular ferr ite\, and denser and finer precipitates. However\, the effect of Mo on the nano-precipitates formed in the ferrite of Nb steels is still subject to debate\, mostly due to its experimentally challenging nature. In addition\ , direct strip casting is a revolutionary casting technique that integrate s casting and subsequent rolling together with rapid solidification and co oling rates\, which not only simplifies the process\, but also confers sup erior energy-saving as compared to conventional alloy thermomechanical pro cessing. In this work\, therefore\, we have studied the effect of Mo on th e precipitation in the ferrite of a Nb-containing micro-alloyed steel prod uced by strip casting using various advanced characterisation techniques. Isothermal ageing treatments were carried out at 650 °C up to 10\,000 s t o form precipitates\, and the strength was measured using shear punch test . Transmission electron microscopy (TEM) observation showed that precipita tes were formed along dislocations in both steels with and without Mo. Ato m probe tomography (APT) analyses revealed that the addition of Mo increas ed both size and volume fraction of solute clusters after short ageing tim es\, which provided a much higher cluster strengthening. Precipitation of Nb-rich carbonitrides were found after longer ageing treatments. However\, no significant Mo was observed to segregate to the precipitate. Small-ang le neutron scattering (SANS) results indicated that the addition of Mo red uced the average precipitate size. X-ray diffraction (XRD) results suggest ed that this was attributed to the higher dislocation density that increas ed the number of nucleation sites.\n\nThis work has been published in:\nL. Jiang\, R.K.W. Marceau\, B. Guan\, T. Dorin\, K. Wood\, P.D. Hodgson\, N. Stanford\, The effect of molybdenum on clustering and precipitation behav iour of strip-cast steels containing niobium\, Materialia 8 (2019) 100462. \n\nhttps://events01.synchrotron.org.au/event/125/contributions/3742/ LOCATION:Online Event URL:https://events01.synchrotron.org.au/event/125/contributions/3742/ END:VEVENT BEGIN:VEVENT SUMMARY:Kinetic Analysis of Oil Exchange between Surfactant-Stabilized Emu lsions Using Time- Resolved Small Angle Neutron Scattering DTSTART;VALUE=DATE-TIME:20201112T220000Z DTEND;VALUE=DATE-TIME:20201112T223000Z DTSTAMP;VALUE=DATE-TIME:20260419T085827Z UID:indico-contribution-125-3755@events01.synchrotron.org.au DESCRIPTION:Speakers: Lilo D Pozzo (University of Washington)\nEmulsion sy stems are dynamic and several physical mechanisms can lead to mass transpo rt between droplets (e.g. coalescence\, diffusion\, micelle-driven). Under standing how oil exchanges between emulsions is also critical to developin g applications such as new drug-delivery vehicles and emulsion polymerizat ion processes. Researchers have aimed to fundamentally examine mass transp ort between stabilized emulsions using characterization techniques such as differential scanning calorimetry\, microscopy\, pulse gradient NMR\, and turbidity measurements. However\, all of these require the use of dissimi lar oils and/or labeling droplets with fluorescent molecules.\nHere\, we t ake advantage of large differences in neutron scattering length density be tween hydrogenated and deuterated versions of alkane oils to use time-reso lved small angle neutron scattering to directly examine mass transport bet ween emulsions with identical chemical compositions. We specifically exami ned mixing between alkanes in oil- in-water emulsions stabilized by anioni c (i.e. sodium dodecyl sulfate) and non-ionic surfactants. Fully deuterate d and partially hydrogenated hexadecane emulsions with equal contrast rela tive to the solvent were prepared identically (e.g. sonication) and subseq uently mixed to monitor oil exchange kinetics. As oil exchanges between dr oplets over time\, a decrease is observed in scattering intensity due to c ontrast-matching conditions between the solvent and the fully-mixed oil ph ases. When emulsions are ideally mixed\, minimal scattering is detected. T his talk will summarize findings of measurements of mass-transport for emu lsion systems with a large number of variable parameters including surfact ant concentration\, surfactant type\, temperature and oil- type. Multiple physical mechanisms are suggested to play important roles in controlling t ransport in emulsion systems.\n\nhttps://events01.synchrotron.org.au/event /125/contributions/3755/ LOCATION:Online Event URL:https://events01.synchrotron.org.au/event/125/contributions/3755/ END:VEVENT BEGIN:VEVENT SUMMARY:Resolving the DNA interaction of the MexR antibiotics resistance r egulatory protein DTSTART;VALUE=DATE-TIME:20201112T051500Z DTEND;VALUE=DATE-TIME:20201112T052700Z DTSTAMP;VALUE=DATE-TIME:20260419T085827Z UID:indico-contribution-125-3737@events01.synchrotron.org.au DESCRIPTION:Speakers: Francesca Caporaletti (Linkopings universitiet & ins titut Laue Langevin)\nSmall Angle scattering is a powerful tool for analys ing the shape and conformational changes of macromolecules\; in particular \, protein-DNA complexes need to be highly dynamic in order to be able to respond to external factors for the regulation.\nAcquired multidrug resist ance (MDR) in pathogenic microbials is a worldwide threat to human health. Several MarR–like proteins regulate the expression of efflux pumps\, wh ich are multiprotein self-assembly complexes actively extruding High toxic compounds to the host organism. Since incapacitating the repressor protei n leads to continuously high production of the efflux proteins and thus in creased survival for the bacteria\, there is high mutational pressure for acquired MDR\; MexR is a crucial member of the MarR family. \nAccording to the DNA binding site for MexR dimer appears to involve an inverted repeat of the sequence\; furthermore\, it is possible to identify two closely lo cate bindings fragments\, dubbed as PI and PII. In this work\, we will use SANS to reveal the structure of the protein-DNA complex of MexR with its PII and entire (PI+PII) operator regions. This analysis is an essential st ep for the comprehension of the binding of MarR family proteins with DNA because very few of those proteins have crystallised with DNA and none wit h two dimer sites. The ongoing analysis will apply to the entire MarR fami ly\, and thus provide critical knowledge on pathogenic bacteria\, of relev ance for clinical understanding and future drug design.\n\nhttps://events0 1.synchrotron.org.au/event/125/contributions/3737/ LOCATION:Online Event URL:https://events01.synchrotron.org.au/event/125/contributions/3737/ END:VEVENT BEGIN:VEVENT SUMMARY:Hydrohalite formation in frozen clay brines. DTSTART;VALUE=DATE-TIME:20201112T030000Z DTEND;VALUE=DATE-TIME:20201112T032000Z DTSTAMP;VALUE=DATE-TIME:20260419T085827Z UID:indico-contribution-125-3734@events01.synchrotron.org.au DESCRIPTION:Speakers: Will Will Gates (Institute for Frontier Materials\, Deakin University)\nHydrated forms of cryosalts in frozen brines play impo rtant roles in the polar landscape and troposphere of Earth [1]\, and thei r melting [2] is implicated in recurring slope lineae (RSL) in Antarctica ’s McMurdo Dry Valley [3] and equator-facing\, mid-latitude (42ºN-52ºS ) slopes of Mars [4]. Observation of the widespread occurrence of clay min erals and salts on the Martian surface [5] indicates that saline groundwat er [6] may still be present on Mars. The surface of Mars ranges in tempera ture from 293 K on the equator at noon to 120 K at the poles and mobility of sub-surface water ice will depend on the local temperature and the mobi lity of confined water in the crustal clays.\nWe applied quasielastic neut ron scattering using the backscattering spectrometer EMU (Australian Nucle ar Science and Technology Organisation) at 1 µeE resolution\, to the syst em: sodium montmorillonite – 5M NaCl (Na-Mt-NaCl and calcium montmorillo nite – 5M CaCl2 (Ca-Mt-CaCl2)\; to establish boundary conditions influen cing the dynamics of confined water. Results from elastic fixed window (EF W) data indicate a substantial increase in the mean square displacement of hydrogen (H) in the brine conditions at all temperatures above 100K\, ind icating enhanced mobility of water in the presence of brines. A phase tran sition was observed in Na-Mt-NaCl at 255K (on heating) indicating the pres ence of the cryosalt hydrohalite (NaCl·2H2O)\, but no phase transition wa s observed in Ca-Mt-CaCl2. In addition\, quasielastic neutron scattering ( QENS) spectra highlighted that water in the Ca-Mt-CaCl2 system was strongl y confined at room temperature. Recently [6] hydrohalite was observed to form in frozen gels of Na-Mt brines\, but not in Ca-Mt brines. They consid ered that textural differences in the two forms allowed the gel pores of t he Na-Mt to retain liquid saline pore water to well below the freezing poi nt of pure water. Based on our analysis\, water is restricted to rotation al mobility in the Na-Mt-NaCl below 255K\, but presents more translational mobility above 255K. These findings largely support those of Yesilbas [7] in the importance of pore structure in controlling cryosalt formation\, a nd further implicate their role in associated phenomena such as RSL. \n\n[ 1] Wise\, M.E.\, Baustian\, K.J.\, Koop\, T.\, Freedman\, M.A.\, Jensen\, E.J.\, Tolbert\, M.A.\, Atmosphere Chemistry an-d Physics\, 12:1121–1134 (2012).\n[2] Heinz\, J.\, Schultze-makuch\, D.\, Kounaves\, S.P.\, Geophy sical Research Letters\, 43: 4880v4884 (2016). \n[3] Dickson\, J.L.\, Head \, J.W.\, Levey J.S.\, Marchant\, D.R.\, Scientific Reports\, 2:1166(1–8 ) (2013).\n[4] McEwen\, A. S.\, L. Ojha\, C. M. Dundas\, S. S. Mattson\, S . Byrne\, J. J. Wray\, S. C. Cull\, S. L. Murchie\, N. Thomas\, and V. C. Gulick. Science\, 333(6043)\, 740–743 (2011). \n[5] Weitz\, C.M.\, Bisho p\, J.L. Icarus\, 219\, 392-406 (2019).\n[6] Orosei\, R.\, et al.\, Radar evidence of subglacial liquid water on Mars. Science\, 2018. 361(6401): p. 490-493.\n[7] Yesilbas\, M.\, Lee\, C.C.\, Boily\, J.-F.\, ACS Earth and Space Chemistry\, 2:314–319 (2018).\n\nhttps://events01.synchrotron.org. au/event/125/contributions/3734/ LOCATION:Online Event URL:https://events01.synchrotron.org.au/event/125/contributions/3734/ END:VEVENT BEGIN:VEVENT SUMMARY:Water dynamics in minerals on the surface of Mars DTSTART;VALUE=DATE-TIME:20201112T023000Z DTEND;VALUE=DATE-TIME:20201112T030000Z DTSTAMP;VALUE=DATE-TIME:20260419T085827Z UID:indico-contribution-125-3736@events01.synchrotron.org.au DESCRIPTION:Speakers: Gail Iles (RMIT)\nWater was discovered 1.5 km below the surface of Mars in 2018 and some liquid water may occur transiently on the Martian surface in the spectrally dominant phyllosilicate group\, sme ctite. In the same year\, NASA confirmed that water ice is present in sili cates on the surface of the Moon in the polar regions. This discovery has prompted the return of people to the Moon\, whereby the Artemis program pl anned for 2024 will see the next man and the first woman land at the South Pole. The extraction of trapped and frozen water from minerals on other p lanetary bodies such as the Moon and Mars is a technical challenge if huma nity is to implement an innovative and sustainable program of exploration enabling human expansion across the solar system. \nWe have investigated the hydration properties of clays and minerals found on Mars using time-of -flight neutron spectroscopy. [1] From Quasi-Elastic Neutron Scattering da ta we determined water diffusion coefficients for input into our model to identify possible sites where the water resides in Na-smectites. Additiona l characterisation of montmorillonite has been conducted at the Australian Synchrotron facility using far-infrared radiation to obtain proportions o f bound and unbound water in Na- and Ca-smectite. We observed the cation rattle at low energy (~45 cm-1) as a distinct signal from that of the bulk -like water and cationic bound water\, where the latter is ‘trapped’ w ithin the clay layers. [2\,3]\nUnderstanding of water hydration processes in these abundant soils and minerals will be of use not just on other plan etary bodies but also in extreme environments such as Antarctica. On Earth \, knowledge of water dynamics at clay mineral surfaces can be utilised to improve performance and durability of lining materials for barriers used in environmental protection. [4]\n\n[1] W.P. Gates\, L.P. Aldridge\, G.G. Carnero-Guzman\, R.A.Mole\, D.Yu\, G.N. Iles\, A. Klapproth\, H.N. Bordal lo. (2017) App. Clay Sci. 147 (2017) 97–104\n[2] G.N. Iles\, W.P.Gates\, G.G. Carnero Guzman. “Quantifying bound water in smectites using Far-IR ”. Australian Synchrotron Proposal M13427 (2018) \n[3] G. N. Iles\, D. A ppadoo\, A. Fehervari\, A. Mentor\, W. P. Gates. Cation rattle in Martian minerals holds key to water mobility. (In preparation) \n[4] W.P. Gates\, H.N. Bordallo\, A. Bouazza\, G.G. Carnero-Guzman\, L.P. Aldridge\, A. Klap proth\, G.N. Iles\, N. Booth\, R.A.Mole. “Unfrozen water in frozen mud ”. Nature (Submitted 2020)\n\nhttps://events01.synchrotron.org.au/event/ 125/contributions/3736/ LOCATION:Online Event URL:https://events01.synchrotron.org.au/event/125/contributions/3736/ END:VEVENT BEGIN:VEVENT SUMMARY:Hydrogen-Bonded Anion Clusters in Choline Phenylalaninate\, an Une xpected Origin of Nanostructure in Biocompatible Ionic Liquid DTSTART;VALUE=DATE-TIME:20201112T011700Z DTEND;VALUE=DATE-TIME:20201112T012900Z DTSTAMP;VALUE=DATE-TIME:20260419T085827Z UID:indico-contribution-125-3728@events01.synchrotron.org.au DESCRIPTION:Speakers: Shurui Miao ()\nRecently\, a number of choline amino -acid salts have been reported to form ionic liquids (ChILs)\, creating th e possibility of biocompatible ILs with a sustainable production cycle.[1\ ,2] Since their discovery\, these designer solvents have proven useful acr oss many applications\, including drug synthesis and delivery\, electroche mistry\, biomass processing and CO2 capture\, often in mixtures with water .[3] However\, little is still known about how the structure of their cons tituent ions determines properties and performance of both the pure IL and its solutions\, limiting the capacity to design task-specific ILs and opt imise for large scale applications. In this study\, we investigate choline DL-phenylalaninate (ChPhe) using time-of-flight neutron diffractionand mo delled its structure with simulations. Our aim is to understand how its am phiphilic liquid nanostructure arises from atomic correlations. Surprising ly\, we discovered the aromatic moieties of the phenylalaninate anion form distinct\, small clusters or non-polar domains\, but with no evidence for pi-pi stacking. Detailed analysis of the atomic correlations reveals that inter-anion hydrogen bonds are the main stabilisation factor of these non -polar clusters. This is the first example of self-assembled ionic liquid nanostructure not of solvophobic origin. The unusual suite of interactions also explains its water miscibility but inability to retain nanostructure upon water dilution\,[4] as well as its poor performance for biomass pret reatment (relative to other nanostructured ChILs)\,[5] and provides a new strategy by which to engineer and tune ionic liquid nanostructure for the design of application-specific\, renewable solvent systems.\n\nReferences\ n[1] K. Fukumoto\, M. Yoshizawa\, and H. Ohno\, Journal of the American Ch emical Society 127\, 2398 (2005).\n[2] Q.-P. Liu\, X.-D. Hou\, N. Li\, and M.-H. Zong\, Green Chemistry 14\, 304 (2012).\n[3] L. Gontrani\, Biophysi cal reviews 10\, 873 (2018).\n[4] S. Miao\, R. Atkin\, and G. G. Warr\, Ph ysical Chemistry Chemical Physics 22\, 3490 (2020).\n[5] X. D. Hou\, T. J. Smith\, N. Li\, and M. H. Zong\, Biotechnology and Bioengineering 109\, 2 484 (2012).\n\nhttps://events01.synchrotron.org.au/event/125/contributions /3728/ LOCATION:Online Event URL:https://events01.synchrotron.org.au/event/125/contributions/3728/ END:VEVENT BEGIN:VEVENT SUMMARY:Hydration mechanisms and lattice distortions in 6H-Ba4Ta2O9 DTSTART;VALUE=DATE-TIME:20201112T004500Z DTEND;VALUE=DATE-TIME:20201112T010500Z DTSTAMP;VALUE=DATE-TIME:20260419T085827Z UID:indico-contribution-125-3731@events01.synchrotron.org.au DESCRIPTION:Speakers: Chris Ling (University of Sydney)\nMixed ionic-elect ronic conductors have a wide range of applications\, including in solid ox ide fuel cells\, batteries and sensors. Perovskite oxides are well suited for these wide variety of applications due to their robust structures that can be engineered with dopants to achieve desired properties. Hydration\, and subsequent oxide-ionic and proton conduction\, in such oxides is usua lly achieved by inserting hydroxide anions into vacancies in the oxide lat tice\, while the remaining proton from water converts an oxide anion into another hydroxide. We recently used ab initio Density Functional Theory (D FT) dynamics calculations to test the stability of protons and hydroxide i ons introduced randomly into a model of the 6H-type perovskite 6H-Ba4Ta2O9 . Surprisingly\, we found that they robustly and reproducibly combined to form discrete H2O molecules within an essentially close-packed lattice. Vi brational densities-of-states extracted from the simulations matched well to experimental inelastic neutron scattering data\, supporting their valid ity. The presence of H2O in 6H-Ba4Ta2O9\, vs. hydroxide ions\, also explai ns why it shows substantially lower ionic conductivity than comparable oxi des\, despite hydrating to a greater extent (0.5 H2O per formula unit). Ho wever\, direct crystallographic evidence for the presence of water within 6H-Ba4Ta2O9 at room temperature was lacking. Here\, we will present such e vidence based on neutron powder and X-ray single-crystal diffraction. We s how that water plays a very unusual role in this compound by guiding a uni que series of symmetry lowering distortions on cooling\, which preserve an otherwise thermodynamically unstable structure to room temperature.\n\nht tps://events01.synchrotron.org.au/event/125/contributions/3731/ LOCATION:Online Event URL:https://events01.synchrotron.org.au/event/125/contributions/3731/ END:VEVENT BEGIN:VEVENT SUMMARY:Role of A-site molecular ions dynamics in the polar functionality of perovskite metal-organic frameworks DTSTART;VALUE=DATE-TIME:20201112T002500Z DTEND;VALUE=DATE-TIME:20201112T004500Z DTSTAMP;VALUE=DATE-TIME:20260419T085827Z UID:indico-contribution-125-3729@events01.synchrotron.org.au DESCRIPTION:Speakers: Teng Lu (The Australian National University)\nRecent studies on organic-inorganic hybrid perovskites (OIHPs) and ferroelectric metal-organic framework perovskites (MOFPs) reveal their superb performan ce as highly efficient photovoltaics and promising ferroelectrics. This ha s enabled a new generation of optic-electronic-mechanical devices based on green chemistry. However\, the ultimate strategies to optimize these pola rization-related functionalities are not yet clear\, leading to confused r eports in the literature. In this work\, we investigate a rationally selec ted series of molecular ions within Mg(HCOO)3– frameworks to form [CH3NH 3]Mg(HCOO)3 (MA­MOF)\, [(CH3)2NH2]Mg(HCOO)3 (DMA­MOF)\, and [C(NH2)3]Mg (HCOO)3 (GUA­MOF). Single-crystal X-ray diffraction\, inelastic neutron s pectroscopy and ab initio molecular dynamics are used to achieve detailed structural pictures of three MOFPs. Intriguingly\, our study reveals that the alignments of protonated amines are highly dependent on the directiona l hydrogen bonds that link N-H units to the surrounding MgO6 octahedra. Th e alignments of different amines and their dynamics are therefore determin ed by the acceptor O provided by the distortive frameworks. We successfull y assigned the alignments of the A-site ions associated with different pol ar behavior to the dielectric properties for three MOFPs and propose that the configuration of the A-site molecular ions and potential hydrogen bond s are critical to enable the design of polarization-related functionalitie s in both MOFPs and OIHPs.\n\nhttps://events01.synchrotron.org.au/event/12 5/contributions/3729/ LOCATION:Online Event URL:https://events01.synchrotron.org.au/event/125/contributions/3729/ END:VEVENT BEGIN:VEVENT SUMMARY:Cation order in mixed metal bismuth scheelite Bi3FeMo2O12 DTSTART;VALUE=DATE-TIME:20201112T000500Z DTEND;VALUE=DATE-TIME:20201112T002500Z DTSTAMP;VALUE=DATE-TIME:20260419T085827Z UID:indico-contribution-125-3732@events01.synchrotron.org.au DESCRIPTION:Speakers: Matilde Saura-Múzquiz (University of Sydney)\nThe s cheelites are a family of compounds with chemical formula *AB* O4 where *A * and *B* can represent a variety of different cations. The highly versati le scheelite crystal structure consists of *A* O8 dodecahedra and *B* O4 t etrahedra and gives rise to a variety of interesting properties depending on the combination of cations.1 Scheelite-type oxides including CaWO4\, Bi VO4 and NaLa(MoO4)2 have been extensively studied for applications exploit ing some of these properties including luminescence\, ferroelectricity\, i onic conductivity and photocatalytic activity. In particular\, Bi3+ contai ning molybdates are efficient photocatalysts2\, 3 due to the strong repuls ive force of the 6s2 lone pair of Bi3+\, resulting in distortion of the *B * O4 tetrahedra and alteration of the band gap.\nThe compound of interest in the present study\, Bi3FeMo2O12 (BFMO)\, was reported by Sleight *et al .* in 1974 as the first scheelite-type compound containing trivalent catio ns on the tetrahedral site.4 Notably\, two different polymorphs of BFMO ca n be isolated.5 The ideal tetragonal scheelite-type structure in space gro up *I* 41/ *a* (#88) can be prepared by a wet chemical route from aqueous solution of the constituent elements. Jeitschko *et al.* reported in 1975 that\, when the tetragonal scheelite structure is heated above 600 C° for ~10 h\, a 2:1 ordering of the Mo and Fe cations occurs\, which lowers the symmetry to monoclinic in space group *C* 2/ *c* (#15)\, and gives rise t o a tripling of the a axis.\nHere\, phase pure BFMO in the disordered tetr agonal structure was synthesized by a wet chemical route. The conversion f rom the disordered tetragonal to the ordered monoclinic structure was exam ined by *in situ* neutron powder diffraction in order to understand the te mperature dependence of the phase transition and cation order in the mixed metal bismuth scheelite. The study shows no amorphization prior to the fo rmation of the ordered monoclinic phase. Given the substantial cation move ment involved in such a transformation\, the lack of structural break-down suggests that a certain degree of local cation order may already exist in the tetragonal phase\, facilitating the conversion into a fully ordered m onoclinic structure. This hypothesis is further supported by an opening in the field-dependent magnetization curve of the tetragonal phase at 1.8 K. \n\n1. Brazdil\, J. F. *Catalysis Science & Technology* **2015**\, 5\, (7) \, 3452-3458.\n2. Lv\, J.\; Dai\, K.\; Zhang\, J.\; Geng\, L.\; Liang\, C. \; Liu\, Q.\; Zhu\, G.\; Chen\, C. *Appl Surf Sci* **2015**\, 358\, 377-38 4.\n3. Feng\, Y.\; Yan\, X.\; Liu\, C.\; Hong\, Y.\; Zhu\, L.\; Zhou\, M.\ ; Shi\, W. *Appl Surf Sci* **2015**\, 353\, 87-94.\n4. Sleight\, A. W.\; J eitschko\, W. *Materials Research Bulletin* **1974**\, 9\, (7)\, 951-954.\ n5. Jeitschko\, W.\; Sleight\, A. W.\; Mcclellan\, W. R.\; Weiher\, J. F. *Acta Crystallogr B* **1976**\, 32\, 1163-1170.\n\nhttps://events01.synch rotron.org.au/event/125/contributions/3732/ LOCATION:Online Event URL:https://events01.synchrotron.org.au/event/125/contributions/3732/ END:VEVENT BEGIN:VEVENT SUMMARY:Atomistic modelling as a complementary tool for diffraction studie s DTSTART;VALUE=DATE-TIME:20201111T234500Z DTEND;VALUE=DATE-TIME:20201112T000500Z DTSTAMP;VALUE=DATE-TIME:20260419T085827Z UID:indico-contribution-125-3733@events01.synchrotron.org.au DESCRIPTION:Speakers: Max Avdeev (Australian Nuclear Science and Technolog y Organisation\, Australian Centre for Neutron Scattering)\nDiffraction ex periments typically provide clear picture of a crystal structure and basis for understanding material properties. However\, for materials with high static or dynamic disorder and/or weakly occupied atomic sites\, the diffr action data reflecting space- and time-averaged state may struggle to dist inguish several alternative models yielding similar $\\chi$2. In that case \, atomistic modelling may help not only to identify the more energeticall y stable configuration but also provide insights into the mechanism of its formation. I will present several recent examples of studies of disordere d oxygen and proton ionic conductors\, where empirical and ab initio stati c and geometry optimisation calculations and molecular dynamics simulation s not only helped to validate neutron diffraction analysis but also reveal ed the mechanism driving the disorder.\n\nhttps://events01.synchrotron.org .au/event/125/contributions/3733/ LOCATION:Online Event URL:https://events01.synchrotron.org.au/event/125/contributions/3733/ END:VEVENT BEGIN:VEVENT SUMMARY:Oil-in-water emulsion system stabilized by emulsion droplets coate d with whey protein microgels DTSTART;VALUE=DATE-TIME:20201111T231800Z DTEND;VALUE=DATE-TIME:20201111T233000Z DTSTAMP;VALUE=DATE-TIME:20260419T085827Z UID:indico-contribution-125-3725@events01.synchrotron.org.au DESCRIPTION:Speakers: Lirong Cheng ()\nStructurally designed emulsions are a developing group that is likely to find increasing utilization within t he food industry because of their potential advantages over conventional e mulsions. A novel droplet-stabilized (DS) emulsion system emulsified with casein micelles has been previously reported [1]. However\, the mechanism of DS emulsion formation\, physicochemical properties\, and stability are not yet been fully explored. In the present study\, heat-induced whey prot ein microgel (WPM) particles were used as an alternative emulsifying agent . The structure of WPM particles on the formation and physicochemical prop erties of the primary (PE) and the DS emulsions was investigated [2]. WPM particles were prepared by heating 4 wt% whey protein isolate solution in the presence (PB) or absence (NPB) of 10 mM phosphate buffer at pH 5.9\, 8 5°C for 45 min\, followed by washing\, centrifugation\, and micro-fluidiz ation. The PE coated with WPM was homogenized using 3 passes at the pressu re of 250/50 bar. DS emulsions were prepared by mixing (at 30000 rev/min f or 2 min) 10 wt% oil with 10\, 30\, or 60 wt% PE. The structure of WPM par ticles and emulsions were analyzed by dynamic light scattering\, confocal light scattering microscopy (CLSM)\, transmission electronic microscopy (T EM)\, and the combination of small and ultra-small angle neutron scatterin g (SANS and USANS). The results showed that the WPM particles produced in the absence of phosphate buffer (WPM-NPB) were smooth spherical particles\ , giving a surface fractal dimension of 2.0 and a hydrodynamic diameter of 270 nm. However\, WPM particles made in the presence of phosphate buffer (WPM-PB) were rough spherical particles with a surface fractal dimension o f 2.3 and a hydrodynamic diameter of 290 nm. Particle fragments present in the WPM-PB dispersion\, resulted in their competitive adsorption onto the surface of the DS emulsions\; reducing the adsorption of PE droplets. For the PE coated with WPM-NPB particles (PE-NPB)\, flocculation due to prote in bridging and protein intramolecular interaction\, lead to a network wit h a fractal dimension of 2.7. For the DS emulsions stabilized by PE-NPB\, the interfacial layer thickness of DS emulsion droplets increased with the increase in the concentration of PE as observed by CLSM\, whereas the siz e of DS emulsion droplets decreased. A fractal network consisting of adsor bed PE droplets on the interfacial layer of DS emulsion was observed by TE M and measured by USANS with a fractal dimension of 3.0\, suggesting a ver y rough interface. These results suggest that both the structure of the in terfacial layer and the size of the DS emulsion is dependent on the concen tration of the PE used. \n\nReference\n[1] A. Ye\, X. Zhu\, and H. Singh\, “Oil-in-water emulsion system stabilized by protein-coated nanoemulsion droplets\,” Langmuir\, vol. 29\, no. 47\, pp. 14403–14410\, 2013.\n[2 ] L. Cheng et al.\, “Interfacial Structures of Droplet-Stabilized Emulsi ons Formed with Whey Protein Microgel Particles as Revealed by Small- and Ultra-Small-Angle Neutron Scattering\,” Langmuir\, vol. 35\, no. 37\, pp . 12017–12027\, Sep. 2019.\n\nhttps://events01.synchrotron.org.au/event/ 125/contributions/3725/ LOCATION:Online Event URL:https://events01.synchrotron.org.au/event/125/contributions/3725/ END:VEVENT BEGIN:VEVENT SUMMARY:Neutron scattering for the study of casein gel microstructure duri ng digestion DTSTART;VALUE=DATE-TIME:20201111T230600Z DTEND;VALUE=DATE-TIME:20201111T231800Z DTSTAMP;VALUE=DATE-TIME:20260419T085827Z UID:indico-contribution-125-3727@events01.synchrotron.org.au DESCRIPTION:Speakers: Meltem Bayrak ()\nAn understanding of the structural factors that affect food digestion kinetics is important for establishing the relationship between their structure and function. To assess the effe cts of structure on mechanical breakdown and digestibility by pepsin enzym e during gastric digestion\, casein gels with an identical composition\, b ut differing by the coagulation mode\, were characterized and submitted  to simulated in vitro gastric digestion. Rennet-induced (RG) and transgl utaminase-induced acid (TG) gels were made and digested in two different s olvents - H2O and D2O. The structural changes were assessed during simulat ed gastric digestion by ultra-small (USANS) and small angle neutron scatte ring (SANS). \n\nThe different structures of RG and TG reveal distinctive breakdown behaviours over a hierarchy of length scales (nano- to micro). D ifferent functional properties of casein gels\, such as gel strength\, ela sticity\, brittleness\, resistance to shear and sensitivity to the acidic environment of gastric phase\, obtained by scanning (SEM) and transmission electron microscopy (TEM)\, contributed to the differences in gel disinte gration and gastric digestibility. Despite the higher gel strength and thu s higher number of larger gel particles entering the gastric phase followi ng mastication\, the porous microstructure of RG provided a larger surface area and thus higher simulated digestibility compared to TG. The effect o f acidification is clearer with RG\, wherein the local compactness of each gel consequently drives its porosity and pepsin accessibility. On the oth er hand\, pepsin has a limited diffusion capability inside the TG structur e due to its fine stranded network\; however\, the brittle structure of TG is more affected by mechanical shear during the gastric phase\, causing p article erosion. In a similar manner\, gels made and digested in D2O had a higher level of mechanical breakdown due to their brittle structure: init ially led by the fracturing of particles with a larger surface area\, this increases the levels of solubilised protein\, small peptides and amino ac ids.\n\nHere\, we report the first USANS and SANS study to monitor structu ral changes of a casein gel both in H2O and D2O during simulated in vitro gastric digestion. We show that solvent (H2O and D2O) and gel type (RG and TG) affects digestion components: mechanical shear\, enzymatic hydrolysis and the effect of acidification.\n\nhttps://events01.synchrotron.org.au/e vent/125/contributions/3727/ LOCATION:Online Event URL:https://events01.synchrotron.org.au/event/125/contributions/3727/ END:VEVENT BEGIN:VEVENT SUMMARY:Mixed gamma/neutron field in-vivo dosimetry using Metal-Oxide Semi conductor Field-Effect Transistor for Accelerator-Based Boron Neutron Capt ure Therapy DTSTART;VALUE=DATE-TIME:20201111T225400Z DTEND;VALUE=DATE-TIME:20201111T230600Z DTSTAMP;VALUE=DATE-TIME:20260419T085827Z UID:indico-contribution-125-3726@events01.synchrotron.org.au DESCRIPTION:Speakers: Klaudiusz Jakubowski (University of Wollongong)\nInt roduction\n------------\nBNCT systems have their specific neutron energy s pectra extending from thermal to fast neutron (FN) range of up to a few Me V and $γ$ contamination. Since the cross-section for neutron capture is t he highest for thermal neutrons\, to reach deeper tumours\, epithermal neu trons are used and thermalised within the patient. Production of the epith ermal neutron beam requires sophisticated moderation assembly\, therefore\ , QA tools to measure the fluence and quality of the beam entering the pat ient are crucial.\n\nMaterials and Methods\n---------------------\nWe prop osed a disposable\, miniature Metal-Oxide Semiconductor Field-Effect Trans istor (MOSFET) detector with different converters for in-vivo dosimetry of the BNCT epithermal neutron beam components. MOSFET is particularly attra ctive due to its low voltage or passive operation\; the possibility of sen sitivity adjustment by biasing the gate during irradiation and/or thicknes s of the gate oxide (sensitive volume (SV))\; the small size of $0.6\\time s0.8\\times0.35$ $mm^3$\; the ability for on-line readout or immediately a fter irradiation. Two converters were proposed on top of MOSFET - $^{10}B$ and polyethylene (PE) as well as no converter geometry to measure fluence of thermal/epithermal neutrons\, fast neutrons (FN)\, and $\\gamma$ compo nents\, respectively.Geant4 simulations of the MOSFET response covered wit h $^{10}B$\, PE and without converter irradiated with $3\\cdot10^8 \\frac{ n}{cm^2 ⋅ s}$ epithermal neutron beam\, in free-air geometry and on the surface of an 18 cm diameter spherical water head phantom were performed f or 1-3 $μ$m $^{10}B$ and 0.2-3 mm PE converter thickness. A one cm diame ter spherical target with 40 ppm $^{10}B$ was placed at 0.5\, 1\, 1.5 and 2 cm depths in the head phantom. The dose deposited in the SV of the MOSFE T and in a 1 cm diameter target was simulated by tracking all secondary pa rticles and their kinetic energy.\n\nResults\n-------\nThe difference in r esponses between the MOSFET with $^{10}B$ converter placed on the surface of the phantom and in free air was about 30% due to albedo neutrons. The d ose deposited in the SV of the MOSFET with 1 $μ$m $^{10}B$ converter was much higher than for 1 mm PE converter and should be taken into account wh en selecting the gate oxide thickness of the MOSFET to provide reasonable sensitivity. Correlation of the MOSFET with 1 $μ$m $^{10}B$ response plac ed on the surface of the head phantom and dose in a target will be present ed. The thickness of 1 $μ$m $^{10}B$ and 1 mm PE converters\, were found to be optimal for measuring the entrance thermal/epithermal and fast neutr on fluence components\, respectively.\n\nConclusion\n----------\nMOSFET de tector with $^{10}B$ and PE converters can be used to control the epitherm al beam quality at the entrance point as a form of in-vivo QA for patients treated with AB-BNCT\, and to estimate the dose at different depths withi n the patient.Next steps will include simulation of a pixelated $10$ $cm\\ times10$ $cm$ 2D transmission detector for real-time monitoring of the 2D flux distribution of the beam components in AB-BNCT.\n\nhttps://events01.s ynchrotron.org.au/event/125/contributions/3726/ LOCATION:Online Event URL:https://events01.synchrotron.org.au/event/125/contributions/3726/ END:VEVENT BEGIN:VEVENT SUMMARY:First extensive study of lanthanum manganite nanoparticles to targ et deadly brain cancer DTSTART;VALUE=DATE-TIME:20201111T224200Z DTEND;VALUE=DATE-TIME:20201111T225400Z DTSTAMP;VALUE=DATE-TIME:20260419T085827Z UID:indico-contribution-125-3791@events01.synchrotron.org.au DESCRIPTION:Speakers: Abass Khochaiche (University of Wollongong)\n**Intro duction**\nThe ability to successfully target deep-seated tumours in sensi tive areas of the body is limited to adequate targeting strategies. More specifically\, brain and central nervous system (CNS) cancers can be the m ost aggressive\, have higher mortality rates and lower accessibility to ch emotherapeutic drugs. A proposed solution to target these concerns is thr ough introducing high atomic number (Z) nanoparticles (NPs) such as silver -doped lanthanum manganite (LAGMO) to aid in common treatments such as rad iation therapy. These NPs can bypass the blood brain barrier and are capab le of increasing the damage from the radiation due to their high-Z. Most importantly they have potential to cause cancer cells to undergo hyperther mia (a cell death precursor) as the NPs heat up in their environment due t o their Curie temperature being in the hyperthermia range of interest. \n \n**Methods**\nMagnetic\, chemical and biocompatibility characteristics of LAGMO NPs at silver-doping levels of 0-10% were examined. Magnetic and chemical phases of LAGMO NPs were analysed with neutron diffraction using the ECHIDNA High-Resolution Powder Diffractometer. Biocompatibility and c ombinational treatment strategies involved in vitro biological endpoint cl onogenic assays and a cancer cell selectivity investigation.\n\n**Results* *\nNeutron diffraction revealed that only 10%-LAGMO NPs exhibit residual f erromagnetism at 300 K compared to other doping levels\, suggesting that C urie temperature can be adjusted to the hyperthermia range of interest acc ording to the levels of silver content in the NP. This indicates the pote ntial to induce hyperthermia to cancer cells. Comparative studies on LAGM O NP’s biocompatibility with cancer and healthy cells demonstrated healt hy cell growth boost and increased cancer cell death suggesting complete c ancer cell selectivity. Clonogenic assays also revealed significantly inc reased cancer cell death with NPs and radiation therapy compared to radiat ion alone. \n\n**Conclusion**\nLAGMO NPs have immense potential to be use d for targeted cancer treatment strategies. They also have the potential to induce cancer cell hyperthermia alongside treatment with radiation due to their magnetic and chemical properties. Furthermore\, they have been s hown to boost healthy cell growth and severely damage cancer cells alongsi de radiation.\n\nhttps://events01.synchrotron.org.au/event/125/contributio ns/3791/ LOCATION:Online Event URL:https://events01.synchrotron.org.au/event/125/contributions/3791/ END:VEVENT BEGIN:VEVENT SUMMARY:Structural Insights into the Mechanism of Heat-Set Gel Formation o f Polyisocyanopeptide Polymers DTSTART;VALUE=DATE-TIME:20201111T220000Z DTEND;VALUE=DATE-TIME:20201111T223000Z DTSTAMP;VALUE=DATE-TIME:20260419T085827Z UID:indico-contribution-125-3796@events01.synchrotron.org.au DESCRIPTION:Speakers: Gleb E Yakubov (University of Nottingham)\nOne of th e key factors influencing the mechanical properties of natural and synthet ic extracellular matrices (ECM) is how large-scale 3D gel-like structures emerge from the molecular self-assembly of individual polymers. In this ta lk\, I will report the new results on structural characterization of ECM-m imicking polyisocyanopeptide (PIC) hydrogels using small-angle neutron sca ttering (SANS). The evolution of structure as a function of concentration and background ions across the Hofmeister series will be examined. More sp ecifically\, the process of polymer assembly is uncovered by probing the s tructural features of the heat-set gels and correlating them with their rh eological and micromechanical properties. The molecular parameters obtaine d from SANS show dramatic changes in polymer conformation which map onto t he temperature-induced changes in rheological and micro-mechanical behavio ur. The formation of larger structures are linked to the formation of cros s-links (or chain bundles)\, whilst the onset of their detection in the SA NS is putatively linked to their concentration in the gel. These insights provide support for the ‘hot-spot’ gelation mechanism of PIC heat-set gels. Finally\, it is found that formation of cross-links and heat-set gel ling properties can be strongly influenced by ions in accordance with Hofm eister series. In practice\, these results have significance since ions ar e inherently present in high concentration during cell culture studies\; t his may therefore influence the structure of synthetic ECM networks.\n\nht tps://events01.synchrotron.org.au/event/125/contributions/3796/ LOCATION:Online Event URL:https://events01.synchrotron.org.au/event/125/contributions/3796/ END:VEVENT BEGIN:VEVENT SUMMARY:ANSTO’s National Deuteration Facility: Recent advancements and a n overview on molecular deuteration capabilities for neutron applications. DTSTART;VALUE=DATE-TIME:20201111T055000Z DTEND;VALUE=DATE-TIME:20201111T061000Z DTSTAMP;VALUE=DATE-TIME:20260419T085827Z UID:indico-contribution-125-3790@events01.synchrotron.org.au DESCRIPTION:Speakers: Karyn Wilde (ANSTO)\nThe National Deuteration Facili ty (NDF) at the Australian Nuclear Science and Technology Organisation (AN STO) provides deuteration through both biological and chemical techniques for a diversity of molecules and applications and is the only facility of its type in the Southern Hemisphere with the specialised expertise and inf rastructure for both biological and chemical molecular deuteration. Mole cular deuteration of organic compounds and biomolecules significantly incr eases the options in complex structure function investigations using neutr on scattering and reflectometry\, nuclear magnetic resonance (NMR)\, mass spectrometry (MS) and other techniques. Deuteration (substitution of the n aturally occurring hydrogen stable isotope deuterium (2H or D) for 1H (or H)) can provide contrast and improved resolution to assist investigations into the relationship between molecular structure and function of molecule s of both biological and synthetic origin. \nBy developing a suite of capa bilities in both *in vivo* deuteration of biomolecules and chemical deuter ation of small organic molecules\, the NDF provides access to a broad rang e of deuterated molecules for research and industry. Variably deuterated p roteins can be produced via recombinant expression in *Escherichia coli* a nd other microbial systems utilised to produce deuterated cellulose and ch olesterol. By tailoring deuteration approaches with the ongoing developmen t of chemical deuteration protocols for a broader range of molecular class es than available commercially\, the NDF has increased the range of system s that can be investigated using deuterated molecules. Lipids\, phospholi pids (including head or tail or head/tail deuterated mono-unsaturated lipi ds such as POPC and DOPC)\, heterocyclics\, aromatics\, surfactants\, ioni c liquids\, saturated and unsaturated fatty acids\, sugars and match-out d etergents have been deuterated. \nCommon neutron applications include part ially deuterated proteins for SANS experiments investigating multi-protein systems\, neutron crystallography of perdeuterated proteins\, neutron ref lectometry of lipid bilayers systems and SANS using saturated lipid vesicl es\, or detergents amongst others. \nAn overview and update on the NDF wil l be provided which will include details on the NDF User Program (e.g. inf ormation on the available modes of access)\, recent advancements in custom deuterated molecules available and brief highlights of deuterated molecul e utilisation for neutron experiments at ANSTO’s Australian Centre for N eutron Scattering (ACNS).\n\nhttps://events01.synchrotron.org.au/event/125 /contributions/3790/ LOCATION:Online Event URL:https://events01.synchrotron.org.au/event/125/contributions/3790/ END:VEVENT BEGIN:VEVENT SUMMARY:Trindex - 3D Grain Mapping with Neutron Imaging DTSTART;VALUE=DATE-TIME:20201111T061000Z DTEND;VALUE=DATE-TIME:20201111T063000Z DTSTAMP;VALUE=DATE-TIME:20260419T085827Z UID:indico-contribution-125-3722@events01.synchrotron.org.au DESCRIPTION:Speakers: Patrick Tung (Nuclear Physics Institute\, Czech Repu blic)\nThe mechanical and functional properties of polycrystalline materia ls have significant contributions from the 3D interaction of grains that f orm their micro-structure. Such grain maps can be extracted from existing characterisation techniques that utilise X-rays or electrons. However\, co mplimentary techniques using neutrons have not yet developed to maturity. Furthermore\, neutrons provide distinct advantages where\, due to their lo wer attenuation\, larger materials can be analysed\, such as real-world en gineering materials. \n\nHere\, a novel 3D grain mapping methodology\, kno wn as Trindex\, has been demonstrated to reveal the micro-structure of a p rototypical cylindrical iron material. While there already exist several m ethods on grain mapping with neutron imaging [1\,2]\, Trindex provides a r obust and relatively straightforward approach. Trindex is a pixel-by-pixel neutron time-of-flight reconstruction method which extracts the morpholog y of grains throughout the sample\, in addition to their pseudo-orientatio ns. \n\nExperiments were performed at the SENJU beamline of the Japan Prot on Acceleration Research Complex (J-PARC). For the setup\, an imaging dete ctor was placed behind the sample with diffraction detectors simultaneousl y collecting the backscattering from the sample. Such diffraction informat ion will be used to confirm grain orientations. Details of the methodology and the resulting 3D grain maps of materials will be presented. \n\n![3D reconstruction of grain map from a prototypical Fe sample. Colours represe nt different grain orientations. Sample height of approx. 4 mm.][1]\n\n1. Cereser\, A.\, et al. "Time-of-flight three dimensional neutron diffractio n in transmission mode for mapping crystal grain structures." Scientific r eports 7.1 (2017): 1-11. \n2. Peetermans\, S.\, et al. "Cold neutron diffr action contrast tomography of polycrystalline material." Analyst 139.22 (2 014): 5765-5771.\n\n\n [1]: https://lh3.googleusercontent.com/pw/ACtC-3dj 966lNHohLhOuIRaoWzU7ctrapdjvRFHeggG6M9RyqKTgQOpF9CoQgZcYdP8v2vUG_3Gu60tRL2 3-xI7v3nCEJpxmnA8NqN4csTqQhezDP_saLo98e_gsxHnRJxiqcnQjtn9POskvGwNhw8adVehI Yw=w153-h156-no\n\nhttps://events01.synchrotron.org.au/event/125/contribut ions/3722/ LOCATION:Online Event URL:https://events01.synchrotron.org.au/event/125/contributions/3722/ END:VEVENT BEGIN:VEVENT SUMMARY:Potential spectrometers for the hot neutron source at ACNS DTSTART;VALUE=DATE-TIME:20201111T053000Z DTEND;VALUE=DATE-TIME:20201111T055000Z DTSTAMP;VALUE=DATE-TIME:20260419T085827Z UID:indico-contribution-125-3720@events01.synchrotron.org.au DESCRIPTION:Speakers: Anton Stampfl (Australian Nuclear Science and Techno logy Organisation)\nThe ACNS has a number of spectrometers that are succes sfully operated in the cold and thermal neutron regime. Interestingly the OPAL reactor is also designed with a position available for a hot source i n the reflector vessel\, and with two beam-ports available\, HB1 and HB2\, to deliver hot neutrons. A wide range of studies that will be achievable due to the larger range covered in Q−ω space if the hot source is built are highlighted. These studies range from basic sciences\, involving magn etism and superconductivity\, crystal fields\, molecular studies\, high pr essure studies etc.\, to applied work involving\, for example\, energy and electronic materials\, and catalytic processes. An energy transfer range from 5 meV to 500 meV and above\, and a momentum transfer range from 0.5 1 /Å to 30 1/Å is indeed possible given the type of instrument designed. H ere two types of filter spectrometers are discussed as potential candidate s along with a novel type of time of flight spectrometer design that may a llow fluxes to be obtained comparable to similar spectrometers on spallati on neutron sources.\n\nhttps://events01.synchrotron.org.au/event/125/contr ibutions/3720/ LOCATION:Online Event URL:https://events01.synchrotron.org.au/event/125/contributions/3720/ END:VEVENT BEGIN:VEVENT SUMMARY:ACNS SAMPLE ENVIRONMENT UPDATE DTSTART;VALUE=DATE-TIME:20201111T063000Z DTEND;VALUE=DATE-TIME:20201111T065000Z DTSTAMP;VALUE=DATE-TIME:20260419T085827Z UID:indico-contribution-125-3719@events01.synchrotron.org.au DESCRIPTION:Speakers: Timothy D'Adam (ACNS\, ANSTO)\nThe sample environmen t suite at ACNS has continued to grow. In the last year we have successful ly commissioned our new helium dilution cryostat and the 7T magnet. The ma gnet has brought important capability for experiments requiring magnetic f ield to Pelican. We will talk about these new capabilities\, how to get th e best out of our suite of equipment and some recent unique and interestin g sample environment set ups. We will also launch our handbook\, covering everything you need to know about our equipment.\nWe have a number of exci ting projects coming up to show you. We are currently working on Direct La ser Melting (DLM) deposition system co-funded by a NSW RAAP grant. Also un derway are LIEF grants with equipment for use at ACNS\, one includes a rhe ometer for use on ACNS beam instruments. \nIn the middle of 2021 we will r eceive funding to replace our older equipment. The NCRIS RIIP scheme will fund new cryofurnaces\, a new type of furnace\, a uniaxial press and other equipment.\n\nhttps://events01.synchrotron.org.au/event/125/contributions /3719/ LOCATION:Online Event URL:https://events01.synchrotron.org.au/event/125/contributions/3719/ END:VEVENT END:VCALENDAR