BEGIN:VCALENDAR VERSION:2.0 PRODID:-//CERN//INDICO//EN BEGIN:VEVENT SUMMARY:Bismuth-NSAIDs as colorectal cancer chemopreventives DTSTART;VALUE=DATE-TIME:20181120T005000Z DTEND;VALUE=DATE-TIME:20181120T011000Z DTSTAMP;VALUE=DATE-TIME:20260310T130020Z UID:indico-contribution-84-2588@events01.synchrotron.org.au DESCRIPTION:Speakers: Tara Brown (University of Wolloongong)\nTo date\, ep idemiological studies\, animal studies and clinical trials have indicated the potential of non-steroidal anti-inflammatory drugs (NSAIDs) for the ch emoprevention of colorectal cancer (CRC) [1]. Unfortunately\, the use of N SAIDs for CRC chemoprevention is significantly limited due to the severe g astrointestinal (GI) side effects that have been associated with their lon g term use [1]. It is hypothesised that the coordination of NSAIDs to bism uth\, a heavy metal with proven gastrointestinal sparing properties [2]\, may allow the use of NSAIDs as chemopreventives for CRC while also combati ng their associated GI side effects. The present study investigates the in teractions of bismuth-coordinated NSAIDs (BiNSAIDs) with eukaryotic membra ne mimics with the aim of establishing the possible uptake mechanisms of t hese compounds. This knowledge will be extended by investigating the behav iour of BiNSAIDs in more complex systems\, including CRC cells and a CRC a nimal model.\n\nQCM-D studies involving biological membrane mimics compose d of POPC or POPC/cholesterol demonstrated that BiNSAIDs and their parent NSAIDs interact with biological membranes [3]. Neutron reflectometry was a lso used to study the membrane interactions of BiNSAIDs and provided furth er evidence of the membrane interactions of BiNSAIDs\, suggesting that pas sive diffusion is a likely method of uptake of these compounds [3]. These strength of these membrane interactions was an indicator of BiNSAID cytoto xicity against CRC cells.3 A CRC animal study has recently been completed with aspirin\, which has promising preliminary results. In conclusion\, th e aforementioned studies continue to highlight the potential of BiNSAIDs a s candidates for further investigations into their potential for the chemo prevention of CRC. \n\nReferences\n1. M. J. Thun\, S. J. Henley\, C. Patro no\, “Nonsteroidal Anti-inflammatory Drugs as Anticancer Agents: Mechani stic\, Pharmacologic\, and Clinical Issues”\, J. Natl. Cancer Inst.\, 94 \, 252-266 (2002)\n2. P. J. Sadler\, H. Li\, H. Sun\, “Coordination chem istry of metals in medicine: target sites for bismuth”\, Coord. Chem. Re v.\, 185-186\, 689-709 (1999)\n3. T. Brown\, “Bismuth-NSAIDs as colorect al cancer chemopreventives: Insights into their membrane interactions and uptake mechanisms”\, Bachelor of Medicinal Chemistry Advanced (Honours) Dissertation\, University of Wollongong\, (2016)\n\nhttps://events01.synch rotron.org.au/event/84/contributions/2588/ LOCATION:AINSE Conference Centre New Illawarra Road Lucas Heights NSW 2234 Australia URL:https://events01.synchrotron.org.au/event/84/contributions/2588/ END:VEVENT BEGIN:VEVENT SUMMARY:HIERARCHICAL ARCHITECTURE OF CELLULOSE AND ITS INTERACTION WITH OT HER PLANT CELL WALL POLYSACCHARIDES DTSTART;VALUE=DATE-TIME:20181120T011000Z DTEND;VALUE=DATE-TIME:20181120T013000Z DTSTAMP;VALUE=DATE-TIME:20260310T130020Z UID:indico-contribution-84-2347@events01.synchrotron.org.au DESCRIPTION:Speakers: Elliot Gilbert (ANSTO)\nPlant cell walls (PCWs) are extremely complex structures in which cellulose microfibrils are hierarchi cally assembled and embedded in a multi-component matrix. While the cellul ose microfibrils represent the basic building unit providing mechanical st rength [1]\, the matrix components are able to tune the properties of each specific tissue [2-3]\, increasing the flexibility or limiting the transp ort of moisture\, for instance.\n\nThe synthesis of cellulose hydrogels by means of bacterial fermentation is an efficient approach to mimic the cel l wall biosynthesis process and investigate the interactions established b etween cellulose and matrix polysaccharides by incorporating the latter in to the culture medium. We have characterised cellulose hydrogels and their composites with PCW polysaccharides by means of SANS and SAXS\, combined with complementary techniques such as X-ray diffraction\, spectroscopy and microscopy. Furthermore\, the production of partially deuterated cellulos e hydrogels by using a deuterated glucose-based feedstock is presented as a strategy to enhance the neutron scattering length density contrast [4].\ n\nThe application of a multi-technique characterisation approach enabled elucidation of the complex hierarchical architecture of cellulose hydrogel s and led to the development of a multi-scale model based on core-shell st ructures [4-8]. The model describes the multi-phase structure of cellulose microfibrils and ribbons\, as well as the essential role of water at the different structural levels. In addition\, USANS experiments are presented as a promising method to characterise the structure of native cellulose i n the longitudinal direction\, providing information on the microfibril le ngth and ribbon twisting periodicity.\n\nPCW polysaccharides such as xylog lucan\, arabinoxylan\, mixed linkage glucans and pectins during cellulose synthesis have a distinct structural role and interaction mechanism with c ellulose (interfering with the crystallisation process and strongly intera cting with the cellulose microfibrils\, or establishing interactions at th e ribbons’ surface level).\n\nThese results highlight the ability of sma ll angle scattering techniques to provide valuable insights on cellulose b iosynthesis and interactions with PCW polysaccharides.\n\nhttps://events01 .synchrotron.org.au/event/84/contributions/2347/ LOCATION:AINSE Conference Centre New Illawarra Road Lucas Heights NSW 2234 Australia URL:https://events01.synchrotron.org.au/event/84/contributions/2347/ END:VEVENT BEGIN:VEVENT SUMMARY:Neutron measurements for Additively Manufactured components DTSTART;VALUE=DATE-TIME:20181120T033000Z DTEND;VALUE=DATE-TIME:20181120T035000Z DTSTAMP;VALUE=DATE-TIME:20260310T130020Z UID:indico-contribution-84-2305@events01.synchrotron.org.au DESCRIPTION:Speakers: Louis Chiu (Monash University)\nAdditive manufacturi ng is an exciting new approach to produce components that are not manufact urable using traditional methods. Coupled with its short CAD-to-product ti me\, this method had been gaining significant attention. In particular\, t he application of Selected Laser Melting\, which can process metals\, is g aining popularity in application on aerospace components. Due to the numer ous rapid thermal cycling in the melting process\, strong residual stresse s develop within the component being built\, which leads to deformation an d cracking. Neutron diffraction has sufficient penetration and measurement resolution to map the residual stresses variations within the component. Furthermore\, the dimensional accuracy of the produced components is parti cularly difficult to measure due to the complex geometry. For example\, th e application of topology optimisation for weight reduction leads to a mor e organic shape as well as internal cavities but the component becomes mor e sensitive to geometric variations. Neutron CT is able to capture the geo metry\, particularly of internal cavities\, as well as possible defects pr esent. The combination of these two neutron measurement techniques provide a strong basis for improving the understanding of the SLM process and aid in the maturing of this process towards serial production.\n\nhttps://eve nts01.synchrotron.org.au/event/84/contributions/2305/ LOCATION:AINSE Conference Centre New Illawarra Road Lucas Heights NSW 2234 Australia URL:https://events01.synchrotron.org.au/event/84/contributions/2305/ END:VEVENT BEGIN:VEVENT SUMMARY:Scitek - A word from our sponsors. DTSTART;VALUE=DATE-TIME:20181121T000500Z DTEND;VALUE=DATE-TIME:20181121T001000Z DTSTAMP;VALUE=DATE-TIME:20260310T130020Z UID:indico-contribution-84-2531@events01.synchrotron.org.au DESCRIPTION:Speakers: Ken van't Schip (Scitek)\nhttps://events01.synchrot ron.org.au/event/84/contributions/2531/ LOCATION:AINSE Conference Centre New Illawarra Road Lucas Heights NSW 2234 Australia URL:https://events01.synchrotron.org.au/event/84/contributions/2531/ END:VEVENT BEGIN:VEVENT SUMMARY:The present and future of neutron scattering for the characterisat ion of key functional materials DTSTART;VALUE=DATE-TIME:20181118T223000Z DTEND;VALUE=DATE-TIME:20181118T233000Z DTSTAMP;VALUE=DATE-TIME:20260310T130020Z UID:indico-contribution-84-2201@events01.synchrotron.org.au DESCRIPTION:Speakers: Yun Liu (The Australian National University)\nProper ties and functions of materials are determined by the structure and its ev olution on every relevant time\, length\, field and energy scale. To under stand these\, neutrons play a critical role in providing important insight s into the structure of polar functional materials as it responds to stimu li. In this talk\, I will present a summary of recent progress in neutron scattering studies of piezoelectric\, anti/ferroelectric and multiferroic materials\, with a special focus on the investigation of neutron diffracti on conducted under different fields (e.g. temperature\, magnetic/electrica l field and pressure). I will also report structurally dynamic behaviours of zeolites and metal-organic frameworks (MOFs) investigated by using time -of-flight inelastic neutron scattering and comment on the role neutrons p lay in gaining new insights into the properties of a broad range of key ma terials for practical application. I will then discuss overcoming challeng es and technical difficulties to attain precision neutron analyses\, and g ive my personal perspective as a user on the continuous development of ins truments and methods needed for neutron scattering studies in the future.\ n\nhttps://events01.synchrotron.org.au/event/84/contributions/2201/ LOCATION:AINSE Conference Centre New Illawarra Road Lucas Heights NSW 2234 Australia URL:https://events01.synchrotron.org.au/event/84/contributions/2201/ END:VEVENT BEGIN:VEVENT SUMMARY:Rheo-ND: Temperature and shear induced crystal transformation of a model triglyceride observed using neutron diffraction. DTSTART;VALUE=DATE-TIME:20181121T032500Z DTEND;VALUE=DATE-TIME:20181121T034500Z DTSTAMP;VALUE=DATE-TIME:20260310T130020Z UID:indico-contribution-84-2510@events01.synchrotron.org.au DESCRIPTION:Speakers: Norman Booth (ANSTO)\nRheo-SANS (rheology and small angle neutron diffraction) is now a well-established technique to probe th e shape and size of particles under different shear and temperature regime s [1]. Recent work on WOMBAT [2]\, the high intensity neutron diffraction instrument at the Australian Centre for Neutron Scattering\, has successfu lly combined rheology and neutron diffraction. This was used to follow th e crystalline phase transformations in a model (deuterated) triglyceride. \nThe initial impetus for this work was part of a forensic investigation [ 3] linking the crystallisation of triglycerides under high shear rates tha t are encountered in motor vehicle accidents. However now the technique ha s been demonstrated it may be of interest to investigate crystallization d ue to shear in other organic systems. \n\n\n\nFigure 1 - Diffraction data collected from the shear cell during cooling and shearing at 1000 s-1\, co lours give the intensity of the diffraction pattern (left axis) and the bl ack squares chart the measured viscosity (right axis). This demonstrates the ability to track crystallisation in situ under high shear rates.\n\nTh e high neutron flux and detector efficiency available at WOMBAT is instrum ental in allowing diffraction patterns to be collected from the small samp le volumes available in the Couette cell geometry. The Couette cell used has a sample gap of 1mm and was mounted tangentially to the neutron beam. The shear rate applied to the sample can be varied over a range of 10-250 0 s-1 and the temperature can be controlled using an external water jack et from between -10 and 80 ⁰C. We invite other researchers who are inte rested in this capacity to contact us about possible experiments.\n\n\n1. Tabor\, R.F.\, Zaveer\, M.I.\, Dagastine\, R.R.\, Grillo\, I and Garvey\, C.J.\, Phase Behavior\, Small-Angle Neutron Scattering and Rheology of Ter nary Nonionic Surfactant-Oil-Water Systems: A Comparison of Oils\, Langmui r 29(11)\, 3575-3582 (2013)\n2. Studer\, A.J.\, M.E. Hagen\, and T.J. Noak es\, Wombat: The high-intensity powder diffractometer at the OPAL reactor. Physica B: Condensed Matter\, 2006. 385–386\, Part 2(0): p. 1013-1015.\ n3. Stuart B\, Thomas P\, Maynard-Casely H\, Booth N\, Leung A\, A neutro n diffraction investigation of shear forces on a model lipid for forensic application\, ANZFSS 23rd International Symposium on the Forensic Sciences \, September 2016\, Auckland\n\nhttps://events01.synchrotron.org.au/event/ 84/contributions/2510/ LOCATION:AINSE Conference Centre New Illawarra Road Lucas Heights NSW 2234 Australia URL:https://events01.synchrotron.org.au/event/84/contributions/2510/ END:VEVENT BEGIN:VEVENT SUMMARY:New Contrast Options - Diversity and Specifity of Deuteration DTSTART;VALUE=DATE-TIME:20181121T034500Z DTEND;VALUE=DATE-TIME:20181121T040500Z DTSTAMP;VALUE=DATE-TIME:20260310T130020Z UID:indico-contribution-84-2509@events01.synchrotron.org.au DESCRIPTION:Speakers: Anwen Krause-Heuer (ANSTO)\nThe Australian National Deuteration Facility (NDF) continues to develop new capabilities in molecu lar deuteration. The tailoring of deuteration approach to solve specific c ontrast problems has greatly increased the range of systems that can be in vestigated and recent capability development and new applications will be described.\nThe common problem of how to obtain good contrast during SANS of membrane proteins solubilised in detergent micelles has been solved by specific deuteration of detergent head groups and hydrophobic tails to dif ferent levels to contrast match at 100% D20 buffer. Likewise\, in investig ating the location of a purely hydrophobic transmembrane peptide in bicont inuous cubic phase liquid crystals suitable for drug delivery\, a mixture of deuterated and hydrogenated phytanoyl monoethanolamide was used to perf ectly contrast match out either gyroid or diamond phase lipids to pinpoint the peptides location.\nIn Soft Matter\, investigation of structure of th e ligands in the shell layer of self-assembled monolayer-protected nanopar ticles has been made possible by use of various combinations of immiscible deuterated or hydrogenated Phenylethanethiol (PET) and Dodecanethiol (DDT ) and MONSA modelling of SANS data showed the janus and belt like distribu tion of the ligands on the surface and the effects of nanoparticle core si ze and ligand ratio on the patterning. Other case studies will include use of deuterated ionic liquids and new previously unavailable deuterated mol ecules will be highlighted. \nThis work was supported by the National Col laborative Research Infrastructure Strategy.\n\nhttps://events01.synchrotr on.org.au/event/84/contributions/2509/ LOCATION:AINSE Conference Centre New Illawarra Road Lucas Heights NSW 2234 Australia URL:https://events01.synchrotron.org.au/event/84/contributions/2509/ END:VEVENT BEGIN:VEVENT SUMMARY:COMBINING X-RAY AND NEUTRON DIFFRACTION AND MODELLING FOR BETTER U NDERSTANDING ADVANCED MATERIALS DTSTART;VALUE=DATE-TIME:20181119T013000Z DTEND;VALUE=DATE-TIME:20181119T015000Z DTSTAMP;VALUE=DATE-TIME:20260310T130020Z UID:indico-contribution-84-2497@events01.synchrotron.org.au DESCRIPTION:Speakers: Max Avdeev (Australian Nuclear Science and Technolog y Organisation\, Australian Centre for Neutron Scattering)\nMany advanced materials\, such as thermoelectrics\, phosphors for light emitting diodes\ , electrodes and solid electrolytes for batteries\, etc. are difficult obj ects for stand-alone crystal structural analysis based on diffraction tech niques due to intrinsic high disorder of one of the sublattices. Tradition al diffraction data analysis based on atom-centric models with explicitly declared atomic positions is often unstable or unable to fully capture all the details due to correlations between variables. Additional difficultie s arise from the limitations of X-ray diffraction in locating light elemen ts and distinguishing elements with close atomic numbers (e.g. Mn/Ni/Ci). Combining X-rays with neutrons and traditional diffraction data analysis w ith other approaches\, such as Maximum Entropy Method\, and atomistic mode lling and theoretical symmetry analysis allows to paint a more complete pi cture. I will illustrate the point using our recent studies of several suc h structurally complex systems\, such as NASICON and P2-types and phosphor polyanion frameworks. All of them have been studies for decades and yet c omplementing experiment with theory and modelling revealed new features wh ich help understand and improve properties.\n\nhttps://events01.synchrotro n.org.au/event/84/contributions/2497/ LOCATION:AINSE Conference Centre New Illawarra Road Lucas Heights NSW 2234 Australia URL:https://events01.synchrotron.org.au/event/84/contributions/2497/ END:VEVENT BEGIN:VEVENT SUMMARY:Drug-induced morphology transition of self-assembled glycopolymers : Insight into the drug-polymer interaction DTSTART;VALUE=DATE-TIME:20181119T035000Z DTEND;VALUE=DATE-TIME:20181119T041000Z DTSTAMP;VALUE=DATE-TIME:20260310T130020Z UID:indico-contribution-84-2484@events01.synchrotron.org.au DESCRIPTION:Speakers: Cheng CAO (UNSW\, ANSTO)\nIt is often assumed that a hydrophobic drug will be entrapped in the hydrophobic environment of a mi celle. Little attention is usually drawn to the actual location of the dru g and the effect of the drug on properties. In this publication\, we show how the chosen drug curcumin is not only unexpectedly located in the shell of the micelle\, but that the accumulation in the hydrophilic block can l ead to changes in morphology during self-assembly. A block copolymer poly( 1-O-methacryloyl -β-D-fructopyranose)-b-poly(methyl methacrylate)\, Poly( 1-O-MAFru)36-b-PMMA192\, was loaded with different amounts of curcumin. Th e resulting self-assembled nanoparticles were analyzed using TEM\, SAXS\, and SANS. Initial microscopy evidence revealed that the presence of the dr ug induces morphology changes from cylindrical micelles (no drug) to polym ersomes\, which decreased in size with increasing amount of drug (Figure 1 ). SAXS and SANS analysis\, supported by fluorescence studies\, revealed t hat the drug is interacting with the glycopolymer block. The drug did not only influence the shape of the drug carrier\, but also the level of hydra tion of the shell. Increasing the amount of drug dehydrated the nanopartic le shell\, which coincided with a lower nanoparticle uptake by MCF-7 breas t cancer cells and non-cancerous Raw-264.7 cells. As a result\, we showed that the drug can influence the behaviour of the nanoparticle in terms of shape and shell hydration\, which could influence the performance in a bio logical setting (Figure 1). Although the depicted scenario may not apply t o every drug carrier\, it is worth evaluation if the drug will interfere i n unexpected ways\, for example\, when the drug locates on the surface and affects the internal structure of the nanocarrier.\n\nhttps://events01.sy nchrotron.org.au/event/84/contributions/2484/ LOCATION:AINSE Conference Centre New Illawarra Road Lucas Heights NSW 2234 Australia URL:https://events01.synchrotron.org.au/event/84/contributions/2484/ END:VEVENT BEGIN:VEVENT SUMMARY:The Internal structure of a NIPAM brush layer DTSTART;VALUE=DATE-TIME:20181120T224500Z DTEND;VALUE=DATE-TIME:20181120T230500Z DTSTAMP;VALUE=DATE-TIME:20260310T130020Z UID:indico-contribution-84-2332@events01.synchrotron.org.au DESCRIPTION:Speakers: Ben Humphreys (University of Newcastle)\nThe interna l structure of a thermoresponsive poly(N-isopropylacrylamide) (PNIPAM) bru sh coating has been investigated via neutron reflectometry and small angle neutron scattering (SANS).[1] PNIPAM is a thermoresponsive polymer with a n entropically driven lower critical solution temperature (LCST). Below th e LCST\, the polymer will hydrogen bond with H2O\, solubilising the chains . Above the LCST\, the entropic penalty from solubilising the hydrophobic regions of the polymer becomes too great\, and PNIPAM becomes insoluble. W hen tethered to a surface in the polymer brush regime\, the brush layer is swollen at low temperatures and collapsed above the LCST. Furthermore\, t his abrupt LCST broadens into a temperature transition range spanning 10-2 0 °C.[2] \nWe have examined the influence of molecular weight\, ionic str ength and salt identity on the temperature induced swelling/collapse trans ition of PNIPAM brushes using ellipsometry\, QCM-D\, AFM\, contact angle m easurements and DLS.[1-2] These techniques provided a detailed understandi ng of bulk and surface properties of the PNIPAM systems investigated. The use of neutrons to interrogate these systems\, however\, has enabled subtl e variation in the brush volume fraction profile normal to the substrate t o be elucidated (Fig. 1). This highlights any variations related to surfac e curvature\, brush thickness\, surface confinement\, ionic strength and s alt identity.\n\n[1] T. J. Murdoch\, B. A. Humphreys\, et. al.\, Macromole cules 2016\, 49\, 6050-6060.\n[2] (a) B. A. Humphreys\, et al.\, JCIS 2018 \, 516\, 153-161\; (b) B. A. Humphreys\, et. al.\, PCCP 2016\, 18\, 6037-6 046\; (c) T. J. Murdoch\, B. A. Humphreys\, et. al.\, JCIS 2018\, 526\, 42 9-450.\n\nhttps://events01.synchrotron.org.au/event/84/contributions/2332/ LOCATION:AINSE Conference Centre New Illawarra Road Lucas Heights NSW 2234 Australia URL:https://events01.synchrotron.org.au/event/84/contributions/2332/ END:VEVENT BEGIN:VEVENT SUMMARY:Bragg-Edge Neutron Strain Imaging and Tomography DTSTART;VALUE=DATE-TIME:20181120T030000Z DTEND;VALUE=DATE-TIME:20181120T033000Z DTSTAMP;VALUE=DATE-TIME:20260310T130020Z UID:indico-contribution-84-2360@events01.synchrotron.org.au DESCRIPTION:Speakers: Chris Wensrich (University of Newcastle)\nFor more t han 10 years\, time-of-flight detectors at pulsed neutron sources have bee n capable of providing high-resolution images of strain fields through Bra gg-edge analysis [1]. With a geometry akin to a traditional radiograph\, these images represent a projection of the full 3D tensor strain distribut ion to a scalar field. This poses a rich tomography problem based on a ge neralised version of the Radon transform known as the Longitudinal Ray Tra nsform (LRT). The solution to this Bragg-edge strain tomography problem p romises a new approach by which the full triaxial elastic strain (and henc e stress) distribution could be observed within crystalline solids over th e scale of centimetres.\nThis presentation will provide an overview of Bra gg-edge imaging and strain measurement before outlining recent work by the Authors focused on solving the associated tomography problem. The centra l issue that rendered the problem ill-posed will be discussed before intro ducing a range of approaches based on equilibrium constraints. \nA two dim ensional experimental demonstration based on data from the RADEN energy-re solved imaging instrument (at J-PARC in Japan) will be presented with comp arisons to detailed constant-wavelength strain scans from the KOWARI diffr actometer (ANSTO). The generalisation of this approach to three-dimension s will also be discussed.\n[1] Tremsin et al. “High-resolution strain ma pping through time-of-flight neutron transmission diffraction with a micro channel plate neutron counting detector”\, Strain\, v48 pp296-305\, 2012 .\n\nhttps://events01.synchrotron.org.au/event/84/contributions/2360/ LOCATION:AINSE Conference Centre New Illawarra Road Lucas Heights NSW 2234 Australia URL:https://events01.synchrotron.org.au/event/84/contributions/2360/ END:VEVENT BEGIN:VEVENT SUMMARY:SPATZ: The Second Time-of-Flight Neutron Reflectometer at the OPAL Research Reactor DTSTART;VALUE=DATE-TIME:20181121T024500Z DTEND;VALUE=DATE-TIME:20181121T030500Z DTSTAMP;VALUE=DATE-TIME:20260310T130020Z UID:indico-contribution-84-2294@events01.synchrotron.org.au DESCRIPTION:Speakers: Anton Le Brun (ANSTO)\nNeutron reflectometry is a po werful technique for studying the structure of surfaces and interfaces at the nanometer. The useful properties of neutrons allows for isotopic contr ast variation in multi-component systems and being able to investigate phe nomena under a wide variety of sample environments. At the OPAL Research R eactor there is currently one operating neutron reflectometer – PLATYPUS \, however demand is sufficient that a second is needed. In September 2015 \, an agreement was signed between HZB and ANSTO to transfer the V18 ‘Bi oRef’ time-of-flight neutron reflectometer [1]\, previously situated at the 10 MW BER-II Research Reactor\, to the OPAL Research Reactor. During 2 016\, a joint team of ANSTO and HZB personnel carefully disassembled BioRe f and packed it into shipping containers for transport to ANSTO. BioRef ar rived at ANSTO in early 2017 and is known as SPATZ (German for Sparrow) an d will be the 15th neutron-scattering instrument at OPAL. \nSPATZ has a ve rtical sample geometry\, which complements PLATYPUS with its horizontal sa mple geometry. The vertical sample geometry will allow for use of sample e nvironments which cannot be currently used on PLATYPUS due to geometry con straints and allows for wide-angle diffraction from multilayers and lamell ar stacks. SPATZ will also be equipped for simultaneous infra-red spectros copy and reflectometry experiments. \nThe instrument views the OPAL cold n eutron source (CNS) by taking the end position of the CG2B guide\, which h as recently been installed. \nSPATZ is scheduled to start hot commissionin g in October/November 2018 and start user experiments in early 2019. This presentation will provide an overview of the project\, its current status\ , and future direction. Feedback from the neutron user community is encour aged.\n\n[1] M. Strobl et al.\, Rev. Sci. Instrum. 82\, 055101 (2011)\n\nh ttps://events01.synchrotron.org.au/event/84/contributions/2294/ LOCATION:AINSE Conference Centre New Illawarra Road Lucas Heights NSW 2234 Australia URL:https://events01.synchrotron.org.au/event/84/contributions/2294/ END:VEVENT BEGIN:VEVENT SUMMARY:ECHIDNA: a decade of high resolution neutron powder diffraction at OPAL DTSTART;VALUE=DATE-TIME:20181121T040500Z DTEND;VALUE=DATE-TIME:20181121T042500Z DTSTAMP;VALUE=DATE-TIME:20260310T130020Z UID:indico-contribution-84-2306@events01.synchrotron.org.au DESCRIPTION:Speakers: James Hester (ANSTO)\nThe ECHIDNA high-resolution ne utron powder diffractometer at the 20MW OPAL research reactor produces hig h-quality data for a broad spectrum of crystal and magnetic structural stu dies. The poster presents an overview of the current status of the hardwar e\, latest developments in data reduction software\, statistics of the ins trument usage and user programme\, and instrument limitations.\n\nhttps:// events01.synchrotron.org.au/event/84/contributions/2306/ LOCATION:AINSE Conference Centre New Illawarra Road Lucas Heights NSW 2234 Australia URL:https://events01.synchrotron.org.au/event/84/contributions/2306/ END:VEVENT BEGIN:VEVENT SUMMARY:Magnetic Interface Phenomena in Nano-Architectures and their Appli cations DTSTART;VALUE=DATE-TIME:20181119T000000Z DTEND;VALUE=DATE-TIME:20181119T003000Z DTSTAMP;VALUE=DATE-TIME:20260310T130020Z UID:indico-contribution-84-2277@events01.synchrotron.org.au DESCRIPTION:Speakers: Grace Causer (Australian Centre for Neutron Scatteri ng)\nInterfaces between heterostructure components in nanoscale films play important roles in communicating low-dimensional phenomena and act as anc hor points for the direct control and tunability of device performance. In this talk I will give an overview of our group’s recent investigations into the occurrence of magnetic interface phenomena in low-dimensional thi n-film systems which have conceivable utility in future condensed-matter t echnologies. First\, the magnetic interface quality of an FePt3 nano-magne t formed via ion-induced chemical disorder will be analysed [1]. Here\, ne utron and electron measurements used in combination with density functiona l theory calculations reveal a rather counterintuitive result which could prove beneficial towards the development of ultra-high density magnetic re cording devices. In a second study\, the layer-averaged static magnetisati on and macroscopic magneto-dynamic behaviours of a Co/Pd bilayer during hy drogen-gas cycling are analysed. To perform this characterisation\, we fir st had to develop and commission an original sample environment which inno vatively combines polarised neutron reflectometry and microwave spectrosco py [2]. The Co/Pd interface is found to feature tailorable magnetic surfac e anisotropy in the presence of hydrogen gas – the mechanism of which co uld act as a safety switch in next-generation vehicles powered by hydrogen .\n\n[1] G. L. Causer\, D. L. Cortie\, H. Zhu\, M. Ionescu\, G. J. Mankey\ , X. L. Wang and F. Klose. ACS Appl. Mater. Interfaces\, 10\, 16216-16224 (2018)\n[2] M. Kostylev\, G. L. Causer\, C.-H. Lambert\, T. Schefer\, C. W eiss\, S. J. Callori\, X. L. Wang and F. Klose. J. Appl. Cryst. 51\, 9-16 (2018)\n\nhttps://events01.synchrotron.org.au/event/84/contributions/2277/ LOCATION:AINSE Conference Centre New Illawarra Road Lucas Heights NSW 2234 Australia URL:https://events01.synchrotron.org.au/event/84/contributions/2277/ END:VEVENT BEGIN:VEVENT SUMMARY:NSRRC neutron scattering group at ACNS DTSTART;VALUE=DATE-TIME:20181120T053500Z DTEND;VALUE=DATE-TIME:20181120T055500Z DTSTAMP;VALUE=DATE-TIME:20260310T130020Z UID:indico-contribution-84-2284@events01.synchrotron.org.au DESCRIPTION:Speakers: Shin-ichiro Yano (National Synchrotron Radiation Res earch Center)\nThe National synchrotron radiation research centre (NSRRC) in Taiwan has a group of scientists stationed at the Australian Centre for Neutron Scattering (ACNS)\, ANSTO\, Australia. Three Instrument Scientist s were hired to operate neutron scattering instruments and to serve users\ ; Chun-Min Wu works on Small angle neutron scattering instruments\, Chin-w ei Wang is a Powder diffractometer scientist and Shinichiro Yano works on the cold triple axis spectrometer SIKA. In addition\, one staff member is a software engineer.\nUnder this arrangement\, we have built the cold trip le axis spectrometer SIKA in the OPAL reactor beam hall at ANSTO. SIKA was designed to study dynamics in magnetic materials in the energy range of m eV and below with high resolution. The Taiwan investment adds particular v alue to the area of materials science whereby Taiwan and Australia both be nefit. Following 10 years of construction\, SIKA has been in the user prog ram since 2015 July with the number of scientific publications growing ste adily since then.\nTaiwanese users now occupy about 20 percent of internat ional proposals submitted to ACNS in the 2018-2 proposal round whilst the Taiwanese neutron scattering community is also growing. We hope for contin ued good relations between NSRRC and ANSTO with a view to expanding our co llaboration. We are currently in the process of hiring an additional instr ument scientist who would be working on a reflectometer at ACNS. In this t alk\, we will present scientific outcomes from the NSRRC neutron group and updates from SIKA.\n\nhttps://events01.synchrotron.org.au/event/84/contri butions/2284/ LOCATION:AINSE Conference Centre New Illawarra Road Lucas Heights NSW 2234 Australia URL:https://events01.synchrotron.org.au/event/84/contributions/2284/ END:VEVENT BEGIN:VEVENT SUMMARY:Neutron micro-CT as a non-destructive tool for Palaeontology in Au stralia DTSTART;VALUE=DATE-TIME:20181119T053500Z DTEND;VALUE=DATE-TIME:20181119T055500Z DTSTAMP;VALUE=DATE-TIME:20260310T130020Z UID:indico-contribution-84-2281@events01.synchrotron.org.au DESCRIPTION:Speakers: Joseph Bevitt (Australian Nuclear Science and Techno logy Organisation)\nThe physical extraction of fossilised remains from roc ks enables quantitative physiological investigation of bonedimensions\,vol ume\, and porosity\, however leads to the destruction of valuable contextu al information and soft-tissue remains within the matrix.\nConventional an d synchrotron-based X-ray computed tomography (XCT) have been utilised for many years as critical tools in uncovering valuable 3-D internal and surf ace renderings of scientifically important fossils\, however poor contrast and X-ray penetration often prevents thorough tomographic analysis.\nDING O\, Australia’s first and only neutron micro-computed tomography (nCT) i nstrument\, located at the OPAL nuclear research reactor\, is being used t o obtain unpreceded reconstructions of extraordinary fossilised anatomical features not visible with conventional imaging techniques. This presentat ion will outline the physical capabilities of DINGO\, the limitations and results to-date in the field of palaeontology. Drawing upon specimens scan ned from across Australia\, North America\, New Zealand\, and China\, this presentation will demonstrate the complementarity of nCT to classic XCT m ethods for certain geological formations and fossil localities.\nnCT has y ielded unpreceded contrast and detailed-reconstructions of fossilised soft tissue in a Jurassic cynodont. The stomach contents and digestive functio n of herbivourous and carnivorous dinosaurs\, and a Cretaceous Australian crocodilian have been revealed\, providing insights into ancient environme nts and food chains. In this way\, a new species of Australian dinosaur ha s been discovered.\n\nhttps://events01.synchrotron.org.au/event/84/contrib utions/2281/ LOCATION:AINSE Conference Centre New Illawarra Road Lucas Heights NSW 2234 Australia URL:https://events01.synchrotron.org.au/event/84/contributions/2281/ END:VEVENT BEGIN:VEVENT SUMMARY:Synthesis of Deuterated Molecules Using Enzyme Catalysis DTSTART;VALUE=DATE-TIME:20181119T041000Z DTEND;VALUE=DATE-TIME:20181119T043000Z DTSTAMP;VALUE=DATE-TIME:20260310T130020Z UID:indico-contribution-84-2292@events01.synchrotron.org.au DESCRIPTION:Speakers: Anna Leung (European Spallation Source ERIC)\nAnalys is of hydrogen-containing molecules via neutron scattering analyses often benefits from the substitution of hydrogen with deuterium atoms\, since hy drogen (protium) and deuterium have different scattering length densities (SLDs). Selective replacement of protium for deuterium in multi-component systems allows the scattering from individual components to be observed in isolation. For this reason\, neutron scattering facilities such as the Eu ropean Spallation Source (ESS) are invested in furthering techniques for p roducing deuterated molecules.\n\nCurrent methodologies fall broadly under the categories of ‘chemical’ – using H/D exchange reactions\, or de uterated reagents\, to exchange or install deuterons – or ‘biological ’ – growing organisms in D2O\, often with a deuterated carbon source\, followed by extraction and purification of the molecules of interest. The chemical deuteration laboratory at ESS is aiming to establish a combined chemical-biochemical approach to deuterated molecules exploiting enzyme ca talysis. Enzyme catalysis is advantageous because it is safer than and ope rates under milder conditions than conventional chemical synthesis and bec ause it shows excellent chemo-\, regio- and enantioselectivity\, greatly i ncreasing efficiency.\n\nWe have successfully applied this approach to the synthesis of enantiopure deuterated D- and L-lactic acid-d4\; current wor k focuses on applying this method to tail-deuterated mixed-acyl phospholip ids such as 1-palmitoyl-2-oleoyl-sn-glycerol-3-phosphocholine (POPC). Rece nt results will be presented.\n\nhttps://events01.synchrotron.org.au/event /84/contributions/2292/ LOCATION:AINSE Conference Centre New Illawarra Road Lucas Heights NSW 2234 Australia URL:https://events01.synchrotron.org.au/event/84/contributions/2292/ END:VEVENT BEGIN:VEVENT SUMMARY:Structural investigation of the disordered Cu3-xSbO5.5+y ternary o xide DTSTART;VALUE=DATE-TIME:20181119T033000Z DTEND;VALUE=DATE-TIME:20181119T035000Z DTSTAMP;VALUE=DATE-TIME:20260310T130020Z UID:indico-contribution-84-2330@events01.synchrotron.org.au DESCRIPTION:Speakers: Martin Spasovski (University of Auckland)\nMany diff erent electrolytes with perovskite and fluorite-type structures have been extensively explored and characterised. Minimal focus has been given to po tential Bixbyite-type electrolytes. A ternary copper antimony oxide previo usly referred to as Cu9Sb4O19 with an unresolved crystal structure looked like a promising candidate to study. This was synthesised using classic so lid state techniques under high temperature and oxygen pressure. Refinemen t of lab X-ray diffraction data strongly indicated that this material was isostructural with Cu3TeO6 with a curiously large degree of oxygen vacanci es. Refinement of neutron diffraction patterns revealed the system was muc h more complicated than first anticipated\, confirming the under occupancy of oxygen and revealing the mixed occupation of Cu2+/Sb5+ sites in the ca tionic sub-lattice. The final composition can be refined to Cu3−xSbO5.5+ 3x/2 X-ray absorption experiments confirmed the local coordination signifi cantly differs from Cu3TeO6 complimenting the diffraction data. This is an interesting material in a good position for many potential applications l ike\; oxygen membranes\, sensors or as a cathode/electrolyte material warr anting further investigation.\n\nhttps://events01.synchrotron.org.au/event /84/contributions/2330/ LOCATION:AINSE Conference Centre New Illawarra Road Lucas Heights NSW 2234 Australia URL:https://events01.synchrotron.org.au/event/84/contributions/2330/ END:VEVENT BEGIN:VEVENT SUMMARY:Using neutrons to elucidate the molecular details of enzyme isofor m selectivity by small molecule inhibitors. DTSTART;VALUE=DATE-TIME:20181120T000000Z DTEND;VALUE=DATE-TIME:20181120T003000Z DTSTAMP;VALUE=DATE-TIME:20260310T130020Z UID:indico-contribution-84-2293@events01.synchrotron.org.au DESCRIPTION:Speakers: Zoë Fisher (European Spallation Source ERIC)\nHuman carbonic anhydrase IX (CA IX) expression is activated by hypoxic conditio n in aggressive\, metastatic tumors. Cancer patietns positive for CA IX ha ve generally a poor prognosis. CA IX has emerged as an important cancer ta rget\, but efforts to develop isoform selective inhibitors are complicated by the presence of 14 other CA isoforms that share high sequence and stru ctural similarity. This leads to off-target inhibitor binding and side eff ects. Recent studies showed that saccharin (SAC) already shows some isofor m discrimination\, and that conjugating SAC to a glucose molecule (Sacchar in-Glucose Conjugate\, SGC) further improves the Ki against CA IX by 2-fol d. \nLigand binding to proteins are mediated through numerous interactions \, including: H-bonding directly and/or through intervening waters\, elect rostatic interactions with charged or polar amino acid side chains\, metal coordination\, energetic changes through water displacement\, aromatic ri ng stacking\, or other hydrophobic interactions. As neutrons scatter stron gly from atomic nuclei of light atoms 1H (Hydrogen)\, and its isotope 2H ( Deuterium)\, it is possible to use neutron protein crystallography (NPX) t o “see” the light atoms and any interactions they are involved with. ( e.g. H-bonds). \nWe used joint X-ray and neutron crystallography methods t o determine the crystal structures of a CA IX mimic alone and in complex w ith SAC and SGC\, respectively. Our analyses reveal the molecular details of solvent displacement upon ligand binding\, the H-bonding between the li gands and the proteins\, involvement of water-mediated H-bonds\, and the r emodeling of H-bonds to accommodate ligand binding. The structures and ana lysis also provide an explanation for the observed CA isoform selectivity of the ligand under study.\n\nhttps://events01.synchrotron.org.au/event/84 /contributions/2293/ LOCATION:AINSE Conference Centre New Illawarra Road Lucas Heights NSW 2234 Australia URL:https://events01.synchrotron.org.au/event/84/contributions/2293/ END:VEVENT BEGIN:VEVENT SUMMARY:Neutrons Illuminate the Muddy World of Clay – Water Dynamics DTSTART;VALUE=DATE-TIME:20181119T044500Z DTEND;VALUE=DATE-TIME:20181119T051500Z DTSTAMP;VALUE=DATE-TIME:20260310T130020Z UID:indico-contribution-84-2095@events01.synchrotron.org.au DESCRIPTION:Speakers: Will Gates (Deakin University)\nHydrous clay mineral s (smectites) have complex interactions with water that both define them a s separate from other layer silicates (e.g.\, micas) and also impart their unique suitability as environmental barriers. Cation hydration\, surface adsorption and matrix suction are processes by which water is explained to interact with clay mineral surfaces. The hydration energies of cations he ld within the interlayer space of montmorillonite have long been viewed as key to clay mineral hydration. Many experiments have shown that the charg e and hydration energy of the interlayer cation imparts differences in the way the clay mineral hydrates\, orders and interacts with its surrounding s. Water adsorption to the surfaces of clay minerals are also important: h alloysite contains interlayer water without the presence of interlayer cat ions\; instead the residual charge at the gibbsite-like surface is thought to enable fairly strong hydrogen bonding. As fine-grained materials\, the structure of the pore-network within a particle of clay mineral (containi ng perhaps many thousands of individual layers) can be shown to control wa ter uptake and release. During either of these processes\, the pore-struct ure can change in smectites\, making complete characterization difficult.\ nVarious approaches can be used to study the above processes and this pape r serves to highlight applications of neutron scattering\, particularly el astic fixed window (EFW) and quasi-elastic neutron scattering (QENS) metho ds to study the mobility of water within bulk pores\, the interlayer space \, and surrounding the interlayer cation of montmorillonite. A simple expe riment will be detailed that enables full quantification of water in vario us hydration states within a well-characterized montmorillonite sample\, a nd further how this can be related to applied engineering problems in dete rmining the unfrozen water content of a bentonite (a smectite enriched roc k) used as an environmental barrier for site remediation work by the Austr alian Antarctic Division at Casey Station\, Antarctica.\n\nhttps://events0 1.synchrotron.org.au/event/84/contributions/2095/ LOCATION:AINSE Conference Centre New Illawarra Road Lucas Heights NSW 2234 Australia URL:https://events01.synchrotron.org.au/event/84/contributions/2095/ END:VEVENT BEGIN:VEVENT SUMMARY:Recent Progress and Scientific Activities at Materials and Life Sc ience Experimental Facility\, J-PARC DTSTART;VALUE=DATE-TIME:20181120T044500Z DTEND;VALUE=DATE-TIME:20181120T051500Z DTSTAMP;VALUE=DATE-TIME:20260310T130020Z UID:indico-contribution-84-2097@events01.synchrotron.org.au DESCRIPTION:Speakers: Kenji Nakajima (J-PARC Center)\nMaterials and Life S cience Experimental Facility (MLF) at J-PARC is a user facility providing the world highest class neutron and muon pulsed beam. As a neutron part of MLF [[1]]\, we are serving 20 neutron instruments to user program\, which are covering various type of measuring techniques\, i.e.\, direct/indirec t geometries and spin-echo spectrometers for inelastic and quasielastic ne utron scattering\, single-crystal\, powder\, engineering and high-pressure dedicated diffractometers\, a total scattering instrument\, reflectometer s in horizontal and vertical geometries\, a small and wide angle scatterin g instrument\, an energy resolved imaging facility\, beamlines for fundame ntal physics studies\, and so on. Also\, a polarized neutron dedicated cho pper spectrometer is its commissioning phase and will be on line soon. The se instruments are realizing research in wide range of fields\, such as fu ndamental physics\, solid state physics\, biology\, chemistry and industri al applications\, which are carried out by users (we had 950 unique users visited MLF in 2017) and facility staff. We are also devoting some of effo rts to promoting or to enhance scientific outcome. One of examples is a de uteration laboratory program which is under way with strong help of Austra lian friends.\nIn this presentation\, I will overview current status of ou r neutron source\, neutron instruments at MLF with selected topics of rece nt scientific output from the facility.\n\nReference\n[1] K. Nakajima et a l.\, Quantum Beam Science 1\, 9 (2017).\n\nhttps://events01.synchrotron.or g.au/event/84/contributions/2097/ LOCATION:AINSE Conference Centre New Illawarra Road Lucas Heights NSW 2234 Australia URL:https://events01.synchrotron.org.au/event/84/contributions/2097/ END:VEVENT BEGIN:VEVENT SUMMARY:Structural properties of elastomer thin films bound to model fille r interfaces DTSTART;VALUE=DATE-TIME:20181120T041000Z DTEND;VALUE=DATE-TIME:20181120T043000Z DTSTAMP;VALUE=DATE-TIME:20260310T130020Z UID:indico-contribution-84-2282@events01.synchrotron.org.au DESCRIPTION:Speakers: Hideki Seto (IMSS\, KEK)\nThe interfaces between pol ymers and inorganic materials are of pivotal academic and industrial inter est. An example of this is the interface in nanocomposites\, a class of ma terials composed of polymers (matrix) and inorganic nanoscale powders (fil lers). In general\, the performance of a nanocomposite strongly depends no t only on the physical properties of the matrix but also on the interactio n between the matrix and the filler material. It is noteworthy that the ph ysical response of a composite can be modulated via the interactions resul ting from the attachment/detachment of polymers to the fillers. This means that an understanding of the interfaces between the polymer matrix and in organic fillers is essential to construct highly functionalized nanocompos ites.\n\nA specific example is tire materials\; because the rubber used fo r tires consists mainly of a polymer elastomer matrix and carbon/silica fi llers\, an understanding of the interface between the polymer and the fill er is important for improving quality. In the case of a carbon filler\, a nanometer-thick layer called the bound rubber layer (BRL)\, is typically f ormed on the carbon surface and is resistant to be dissolved even in a goo d solvent. In theory\, the interactions between polymers and carbon materi al surfaces restrict molecular motion\, which correlates with increased re sistance to mechanical deformation compared to free polymers that are loca ted away from carbon material surfaces.\n\nSignificant effort has been mad e in industry to manufacture high-performance tires using surface-modified fillers. Since the structure and/or thermal molecular motion of polymers at the filler/polymer interface is affected by the interactions with the f illers\, it is believed that surface modification changes the properties o f the BRL\, resulting in an improvement in the tire’s performance. Howev er\, this is still hypothetical\, because there is insufficient evidence a nd empirical data\, e.g.\, on the influence of surface modification on the BRL. The relationship between the BRL and tire performance needs to be ev aluated to develop guiding principles for improving tire performance. Alth ough the number of reports on the general BRL framework is increasing\, it is still unclear how the surface modification of fillers affects the stru ctural and mechanical properties of BRLs.\n\nIn this study\, we have inves tigated the distribution of rubber polymer on model filler surfaces (carbo n or silica) using neutron reflectometry (NR) at SOFIA reflectometer in J- PARC. The experimental results show that the heterogeneous distribution of rubber polymer near the carbon surface depending on the surface energy. A dditionally\, we investigated the distribution change depending on the kin d of coupling agent at the silica surface.\n\nhttps://events01.synchrotron .org.au/event/84/contributions/2282/ LOCATION:AINSE Conference Centre New Illawarra Road Lucas Heights NSW 2234 Australia URL:https://events01.synchrotron.org.au/event/84/contributions/2282/ END:VEVENT BEGIN:VEVENT SUMMARY:Neutron spectroscopy of α-Fe2O3 nanorods: Direct detection of lo ng-range spin wave excitations DTSTART;VALUE=DATE-TIME:20181119T232500Z DTEND;VALUE=DATE-TIME:20181119T234500Z DTSTAMP;VALUE=DATE-TIME:20260310T130020Z UID:indico-contribution-84-2320@events01.synchrotron.org.au DESCRIPTION:Speakers: David Cortie (University of Wollongong)\nWe present time-of-flight neutron spectroscopy data from PELICAN on α-Fe2O3 nanorods with an average length of 300 ± 100 nm and diameter of 60 ± 10 nm. A st rong quasi-elastic neutron signal is associated with absorbed water on the nanoparticle powder\, which can be removed through heat treatment. After suppressing the QENS signal\, it is possible to observe weak spin wave exc itations originating from the antiferromagnetic structure of the α-Fe2O3 nanocrystals. The excitations are directly compared with measurements cond ucted on larger microscale α-Fe2O3 particles at various temperatures to h ighlight differences in mode intensity and width. The interchanged spectra l intensities in the nanorod are a consequence of a suppressed spin orient ation\, and this is also evident in the neutron diffraction which demonsta tes that the weak ferromagnetic phase survives to 1.5 K. The main magnon f eatures are similar in bulk and nanoforms and can be explained using a mod el Hamiltonian considering interactions up to fourth nearest-neighbors. Co mplementary scanning transmission electron microscopy data is presented in order to clarify the atomic-scale structure and morphology of the rods. F inally\, the implications are discussed for technological devices based on magnonic transmission at surfaces and through nanowires [2]. \nReferences \n\n[1] D. L. Cortie et al. \, submitted to Journal of Condensed Matter Ph ysics (2018)\n[2] A. V. Chumak et al.\, Magnon transistor for all-magnon d ata processing\, Nature Communications 5 4700\, (2014)\n\nhttps://events01 .synchrotron.org.au/event/84/contributions/2320/ LOCATION:AINSE Conference Centre New Illawarra Road Lucas Heights NSW 2234 Australia URL:https://events01.synchrotron.org.au/event/84/contributions/2320/ END:VEVENT BEGIN:VEVENT SUMMARY:Hierarchcial structure of solid lipid nanoparticles DTSTART;VALUE=DATE-TIME:20181120T234500Z DTEND;VALUE=DATE-TIME:20181121T000500Z DTSTAMP;VALUE=DATE-TIME:20260310T130020Z UID:indico-contribution-84-2336@events01.synchrotron.org.au DESCRIPTION:Speakers: Rohan Shah (Department of Chemistry and Biotechnolog y)\nSuspensions of solid lipid nanoparticles (SLNs) stabilized with emulsi fiers have been extensively investigated as drug carriers since the 1990s\ , although details of their ultrastructure are poorly defined. Previously\ , our group reported a novel microwave-assisted microemulsion-based techni que to prepare SLNs. Ultrastructure generally relates to interior of the p article and can relate to internal partitioning through\, for example\, a core-shell structure. It can also relate to the formulation itself\, inclu ding the particle itself\, but can also include structures such as micelle s\, which may be simultaneously present.\n\nOur previous investigations re vealed that SLNs were prepared by the novel microemulsion technique have s ize of 200-300 nm. Preliminary multi-angle SLS/DLS studies indicated core- shell type of SLNs. To understand the detailed ultrastructure of these SLN s\, ultra-small angle neutron scattering (USANS) and small angle neutron s cattering (SANS) experiments were conducted on suspensions of hydrogenated stearic acid SLNs stabilized with hydrogenated Tween 20 surfactant in D2O . Together\, SANS and USANS gave a combined Q range of 4.7 × 10^-5 to 6 × 10^-1 Å^−1 (corresponding to a size range of ~ 1 nm - 15 µm). This extended Q range allows a comprehensive understanding of the hierarchical structure of SLNs. The SANS/USANS data are consistent with the multi-lengt h scale structure of SLNs having polydispersed large particles at the micr oscale level\, intermediate between spheres to rod\, with roughened surfac es. At the nanoscale level\, the results are consistent with the SLNs solu tion having an ellipsoidal shape intermediate between spheres and rods\, w ith a crossover from mass fractals to surface fractals. The elucidation of this structure is particularly important given that the structure influen ces the stability and drug release properties of the nanoparticles. These results will assist in the development of systems with desired shape and p roperties.\n\nhttps://events01.synchrotron.org.au/event/84/contributions/2 336/ LOCATION:AINSE Conference Centre New Illawarra Road Lucas Heights NSW 2234 Australia URL:https://events01.synchrotron.org.au/event/84/contributions/2336/ END:VEVENT BEGIN:VEVENT SUMMARY:Structure and dynamics in photovoltaic metal hydrides DTSTART;VALUE=DATE-TIME:20181119T230500Z DTEND;VALUE=DATE-TIME:20181119T232500Z DTSTAMP;VALUE=DATE-TIME:20260310T130020Z UID:indico-contribution-84-2300@events01.synchrotron.org.au DESCRIPTION:Speakers: Katherine Chea (RMIT University)\nSolar cell technol ogy is an active area of research with the quest to improve the efficiency of solar cells to above the current value of 44% [1]. Hot carrier solar c ells are particular types of cells which may enable higher efficiencies to be obtained. However\, these are only feasible where there is a sufficien tly large band gap in the phonon dispersion of the bulk material to minimi se energy loss to from thermalisation\, thus keeping the electrons ‘hot ’. Binary compounds with a large mass difference between the two constit uent atoms\, and high level of crystal symmetry such as titanium hydride\, can have such a gap in their phonon dispersion.\nTitanium hydride is an i nteresting photovoltaic material with a broad range of properties\, which vary depending on the proportion of hydride present. Theoretical studies s how TiH2 has a phonon band gap of 95 meV in the bulk phase [2]\, however\, there is little experimental data to confirm this. TiH1.65 has been measu red using X-ray powder diffraction and inelastic neutron scattering whereb y it was found that this sample had a phonon band gap of 65 meV [3].\nWe p resent here further X-ray powder diffraction and ineleastic neutron scatte ring data on powder samples of TiH2 and TiH1.5 whereby we show the correla tion of phonon band gap with hydrogen content.\n\n[1] Solar cell efficienc y graph https://phys.org/news/2016-02-solar-cell-efficiency-nrel.html (las t accessed 15/09/2018)\n[2] K. V. Shanavas\, L. Lindsay & D. S. Parker. Sc i. Rep. 6 (2016) 28102\n[3] P. Wang\, G. N. Iles\, R. A. Mole\, D. Yu\, X. Wen\, K-F. Aguey-Zinsou\, S. Shrestha\, G. Conibeer. Jpn. J. Appl. Phys. 56\, 08MA10 (2017)\n\nhttps://events01.synchrotron.org.au/event/84/contrib utions/2300/ LOCATION:AINSE Conference Centre New Illawarra Road Lucas Heights NSW 2234 Australia URL:https://events01.synchrotron.org.au/event/84/contributions/2300/ END:VEVENT BEGIN:VEVENT SUMMARY:Understanding the interaction between the Proteus mirabilis Scs pr oteins using neutron scattering DTSTART;VALUE=DATE-TIME:20181120T003000Z DTEND;VALUE=DATE-TIME:20181120T005000Z DTSTAMP;VALUE=DATE-TIME:20260310T130020Z UID:indico-contribution-84-2348@events01.synchrotron.org.au DESCRIPTION:Speakers: Andrew Whitten (ANSTO)\nCorrectly forming disulphide bonds is critical to the folding of a wide variety of proteins. Bacterial virulence factors are one class of proteins containing disulfide bonds\, thus\, an approach to disarm virulent bacterial might involve shutting dow n the machinery involved in the formation of disulfide bonds. The suppress or of copper sensitivity (Scs) proteins form part of the disulfide bond fo rming machinery in bacteria\, and it is hoped that determining the structu re of molecules such as this may lead to the development of new classes of antibiotics. There are four Scs proteins (ScsA\, B\, C and D) present in numerous Gram-negative bacteria\, and few have been structurally character ised. In this work\, we have created cysteine variants of PmScsC and PmScs B to produce a stable complex and using small-angle X-ray and neutron scat tering with contrast variation\, we have determined the low-resolution str ucture of the PmScsC–PmScsB complex.\n\nhttps://events01.synchrotron.org .au/event/84/contributions/2348/ LOCATION:AINSE Conference Centre New Illawarra Road Lucas Heights NSW 2234 Australia URL:https://events01.synchrotron.org.au/event/84/contributions/2348/ END:VEVENT BEGIN:VEVENT SUMMARY:Theoretical Study of a Family of Lanthanoid-Dioxolene Single-Molec ule Magnets DTSTART;VALUE=DATE-TIME:20181119T003000Z DTEND;VALUE=DATE-TIME:20181119T005000Z DTSTAMP;VALUE=DATE-TIME:20260310T130020Z UID:indico-contribution-84-2321@events01.synchrotron.org.au DESCRIPTION:Speakers: Simone Calvello (The University of Melbourne\, ANSTO )\nLanthanoid Single-Molecule Magnets (SMMs) are molecular materials that exhibit slow relaxation of the magnetization of molecular origin\, thus ma king them promising targets for the development of spintronic devices and molecular memories. Since the electronic and magnetic properties of lantha noid-based SMMs are strongly dependent on the characteristics of the elect rostatic crystal field induced by the ligands on the lanthanoid ion\, a th orough understanding of such magneto-structural correlations is crucial to develop molecules displaying SMM behavior at sufficiently high temperatur es to warrant commercial applications. For this reason\, ab initio calcula tions have proven to be valuable tools to elucidate the details of the ele ctronic structure of SMMs and improve the understanding of their effect on magnetic properties and relaxation mechanisms.\n\nIn this work\, we have performed a set of ab initio calculations on the family of molecules [Ln(b py)2(Cl4Cat)(Cl4CatH)(MeOH)] (Ln = Tb\, Dy\, Ho)\, employing the CASSCF/RA SSI-SO method\, and we have compared the predicted electronic and magnetic properties with the experimental data. These molecules\, recently synthes ized\, are expected to display SMM behavior due of their structural simila rity to other SMMs previously described in literature\, with their low-lyi ng energy spectrum determined with Inelastic Neutron Scattering (INS) for Ln = Tb\, Ho. We show that there is a good agreement between computational and experimental results\, thus confirming the validity of theoretical pr edictions of electronic and magnetic properties of lanthanoid-based SMMs.\ n\nhttps://events01.synchrotron.org.au/event/84/contributions/2321/ LOCATION:AINSE Conference Centre New Illawarra Road Lucas Heights NSW 2234 Australia URL:https://events01.synchrotron.org.au/event/84/contributions/2321/ END:VEVENT BEGIN:VEVENT SUMMARY:Investigation of phonon dynamic in single crystal lead-halide pero vskites by inelastic neutron scattering DTSTART;VALUE=DATE-TIME:20181119T005000Z DTEND;VALUE=DATE-TIME:20181119T011000Z DTSTAMP;VALUE=DATE-TIME:20260310T130020Z UID:indico-contribution-84-2345@events01.synchrotron.org.au DESCRIPTION:Speakers: Milos Dubajic (UNSW)\nThe lead halide perovskite mat erials have recently risen to prominence for remarkably high photovoltaic efficiencies in polycrystalline materials that are highly defected [1] Som e of the reasons for this good defect tolerance are the very low exciton b inding energy and consequent highly delocalized electrons and holes leadin g to high mobilities in these materials\, coupled to low thermal conductan ce. Other recent work by our group has shown long lifetimes for hot carrie rs in a range of perovskites with organic lead iodide perovskites having t he longest lifetimes [2]. In order to explain those rather promising physi cal properties\, a closer investigation of phonon dynamics is needed. Alth ough ab initio simulations (DFT) can predict phonon dispersions to a reaso nably accurate extent (comparison between different phonon modes) [2\, 3]\ , scaling their energies to actual phonon energies (particularly at high m omenta near the zone edge) can be rather inaccurate. In order to obtain a detailed phonon dispersion to overcome the limits of the ab initio methods \, inelastic neutron scattering techniques can be used (as they offer full Brillouin zone mapping and are suitable for large single crystal samples) .\n\nThe thermal triple axis spectrometer (TAS) on TAIPAN at OPAL reactor at ANSTO was used with the aim to map phonon dispersion of single crystal Methyl Ammonium Lead Halide Perovskites\, CH3NH3PbBr3 and CH3NH3PbI3 [4]. The alignment was performed so that we could scan through [h k l] and [ 0 k l] planes in reciprocal space for MAPbBr3 and MAPbI3 samples\, respectiv ely. Assuming the cubic space group\, ABX3\, for the MAPbBr3 sample\, we w ere able to perform transverse and longitudinal scans along each high symm etry direction in the Brillouin zone (Г-X and Г-M) which would ensure th e mapping of all phonon modes in the h k plane of the Brillouin zone.\n\nT he full phonon dispersions that will be obtained with this method can be o f great significance as by adding up to the already simulated data we will be able to have a deeper insight into the undergoing physics that is resp onsible for the previously observed properties (such as significantly exte nded hot carrier lifetimes) where phonon dynamics will play a significant role.\n\nhttps://events01.synchrotron.org.au/event/84/contributions/2345/ LOCATION:AINSE Conference Centre New Illawarra Road Lucas Heights NSW 2234 Australia URL:https://events01.synchrotron.org.au/event/84/contributions/2345/ END:VEVENT BEGIN:VEVENT SUMMARY:Examining the structural and mechanical implications of surfactant s on neutral polymer brushes through neutron reflectometry DTSTART;VALUE=DATE-TIME:20181120T232500Z DTEND;VALUE=DATE-TIME:20181120T234500Z DTSTAMP;VALUE=DATE-TIME:20260310T130020Z UID:indico-contribution-84-2334@events01.synchrotron.org.au DESCRIPTION:Speakers: Isaac Gresham (The University of New South Wales)\nL ayers of densely-tethered polymers (polymer brushes) are of interest due t o their potential applications as nano-actuators\, biocompatible coatings\ , and switchable lubricating or antifouling surfaces. These applicable pro perties are dependant on the structure of the polymer interface\, so it is important that the structural effects of common compounds and relevant en vironmental variables be understood. Neutron Reflectometry (NR) is the onl y technique capable of providing detailed structural resolution of solvate d multi-component polymer brush systems due to its penetrating power and t he possibility of isotopic substitution.\n\nHere we present a Neutron Refl ectometry study on the effects of surface-active molecules (surfactants) o n two neutral polymer brushes\, poly(ethylene oxide) (PEO) and Poly(N-isop ropylacrylamide) (PNIPAM)\, focusing on small\, single tail surfactants. P EO is a widely used biocompatible polymer with a range of medical and comm ercial applications\, whilst PNIPAM is a well known thermoresponsive polym er\, undergoing a swollen to collapsed transition over its critical soluti on temperature (CST) of 32˚C. We show that these two polymers exhibit sim ilar yet distinct interactions with surfactants\, with the observed differ ences having implications for the mechanism of brush-surfactant interactio n. The presence of surfactants was found to raise the CST of PNIPAM\; we s how that this effect is dependent strongly on surfactant identity and conc entration. As part of this work we have developed new modelling techniques for the analysis of NR data from polymer brush interfaces. These advancem ents will be explained in the context of the data at hand\, and their appl icability to other soft diffuse interfaces will be briefly discussed.\n\nh ttps://events01.synchrotron.org.au/event/84/contributions/2334/ LOCATION:AINSE Conference Centre New Illawarra Road Lucas Heights NSW 2234 Australia URL:https://events01.synchrotron.org.au/event/84/contributions/2334/ END:VEVENT BEGIN:VEVENT SUMMARY:Nanoplastics – protein interaction: A scattering study of transi tion from soft and hard corona DTSTART;VALUE=DATE-TIME:20181120T230500Z DTEND;VALUE=DATE-TIME:20181120T232500Z DTSTAMP;VALUE=DATE-TIME:20260310T130020Z UID:indico-contribution-84-2333@events01.synchrotron.org.au DESCRIPTION:Speakers: Shinji Kihara (School of Chemical Sciences\, The Un iversity of Auckland\, Auckland 1010\, New Zealand )\nThere is growing con cern about plastic waste in the environment\, and its impact on biological organisms. While bulk plastics are thought to be non-toxic\, when the pla stics break down to a sub-micron length scale (i.e. nanoplastics)\, they o btain extra mobility inside living things\, and may cause various adverse effects [1\,2]. This\, coupled with a lack of knowledge surrounding the da ngers from different types of plastics\, prevents well-designed responses to the problem. Hypothetically\, the potential adverse effects are caused by protein denaturation\, oxidative stress and/or cellular membrane damage . However\, the inherent complexity of biological systems makes it challen ging to gain a mechanistic understanding. Adding complexity to this proble m\, the potential adverse effects are highly dependent on the nature of na noparticles (NPs) – the contributing factors could include elemental com position\, chemistry of the plastic surface\, and/or size of the plastic p article [3\,2\,4].\n\nWhen in biological systems\, nanoplastics are surrou nded by various types of proteins5. The structure of proteins surrounding nanoplastics are important parameters to understand the interaction of nan oplastic/protein composite. We carried out light scattering and small angl e neutron scattering (SANS) experiments to explore the structure of the pr otein corona on monodisperse polystyrene spheres using a model protein hum an serum albumin (HSA). The geometry of the PS/HSA complex was investigate d with a contrast matching method. The transition from a “soft” to a “hard” interaction between the nanoparticle and the protein was observ ed when pH is lowered from 7.4\, and the implications of this on nanoplast ic toxicity is discussed.\n\nReferences\n\nSharma\, S.\; Chatterjee\, S. E nvironmental Science and Pollution Research 2017\, 24\, 21530-21547.\nLee\ , K.-W.\; Shim\, W. J.\; Kwon\, O. Y.\; Kang\, J.-H. Environmental science & technology 2013\, 47\, 11278-11283.\nMattsson\, K.\; Johnson\, E. V.\; Malmendal\, A.\; Linse\, S.\; Hansson\, L.-A.\; Cedervall\, T. Scientific Reports 2017\, 7\, 11452.\nCui\, R.\; Kim\, S. W.\; An\, Y.-J. Scientific reports 2017\, 7\, 12095.\nTenzer\, S.\; Docter\, D.\; Kuharev\, J.\; Musy anovych\, A.\; Fetz\, V.\; Hecht\, R.\; Schlenk\, F.\; Fischer\, D.\; Kiou ptsi\, K.\; Reinhardt\, C. Nature nanotechnology 2013\, 8\, 772.\n\nhttps: //events01.synchrotron.org.au/event/84/contributions/2333/ LOCATION:AINSE Conference Centre New Illawarra Road Lucas Heights NSW 2234 Australia URL:https://events01.synchrotron.org.au/event/84/contributions/2333/ END:VEVENT BEGIN:VEVENT SUMMARY:Fabrication of Sub-Stoichiometric Ti2O3 for Room Temperature Therm oelectric Energy Regeneration: Tuning of Structural and Electronic Propert ies via Defects Engineering DTSTART;VALUE=DATE-TIME:20181119T224500Z DTEND;VALUE=DATE-TIME:20181119T230500Z DTSTAMP;VALUE=DATE-TIME:20260310T130020Z UID:indico-contribution-84-2319@events01.synchrotron.org.au DESCRIPTION:Speakers: Jack Yang (School of Materials Science and Engineeri ng\, UNSW)\nTitanium oxides has drawn extensive attention as functional el ectronic materials in the past few years\, due to their unique layered str ucture and physical properties. Sub-stoichiometric titania are particularl y interesting non-toxic materials for thermoelectric applications because of their high electrical conductivity with possible low phonon thermal con ductivities originated from phonon scatterings at ordered defect planes. H ereby\, layered sub-stoichiometric Ti2O3 material has been successfully fa bricated by densifications of the ball-milled precursors with spark plasma sinterings. The experiments were performed on densified Ti2O3 samples wit h 0.5\, 3 and 10 h ball-milling times to compare the changes in PDOS. The application of high-energy ball milling could significantly decrease the g rain size in the SPS-densified bulk sample\, and thus affect the phonon be haviours. The XRD results showed with the increasing of ball milling hours \, the percentage of Ti3O5 increased while Ti2O3 is still the main phase. Measurements of phonon density-of-states (PDOS) were performed with the PE LICAN time-of-flight neutron spectrometer in the energy-gain mode at ANSTO \, at 200\, 300\, 500 and 650 K\, respectively. The overall shapes of the GDOS are very similar across the three samples\, with three peaks located at around 20\, 40\, and 60 meV and matched well with the calculated PDOS o f Ti2O3\, indicating the dominate phase for three samples are still Ti2O3. With the temperature increasing\, the peak intensity at around ~20 meV in creased\, however\, the red-shifts and intensity decreases were observed a t the 40 and 60 meV phonon DOS peaks (as indication of anharmonic effects) . This suggested that the acoustic phonons response differently to tempera ture increase compared to optical phonons. The intensities at between 50 t o 60 meV increases for the 10H spectrum\, compared to the other two. This is probably because of the excitation of the phonon states in Ti3O5\, as t he increased Ti3O5 percentage in 10H sample. Our results suggested the mea surement matched well with the theoretical study\, which indicates the str uctural changes could have played significant roles in determining the pho nonic structure of sub-stoichiometric Ti2O3 based material.\n\nhttps://eve nts01.synchrotron.org.au/event/84/contributions/2319/ LOCATION:AINSE Conference Centre New Illawarra Road Lucas Heights NSW 2234 Australia URL:https://events01.synchrotron.org.au/event/84/contributions/2319/ END:VEVENT BEGIN:VEVENT SUMMARY:Measurement of Magnetic Exchange in Asymmetric Lanthanide Dimetall ics DTSTART;VALUE=DATE-TIME:20181119T220000Z DTEND;VALUE=DATE-TIME:20181119T224500Z DTSTAMP;VALUE=DATE-TIME:20260310T130020Z UID:indico-contribution-84-2105@events01.synchrotron.org.au DESCRIPTION:Speakers: Nicholas Chilton (The University of Manchester)\nWe have been investigating the magnetic interactions between lanthanide ions in a series of isostructural asymmetric dimetallic complexes of dysprosium (III)\, erbium(III) and ytterbium(III). Using a barrage of techniques incl uding electron paramagnetic resonance spectroscopy\, inelastic neutron sca ttering\, and complete active space self-consistent field calculations\, w e have determined the highly anisotropic magnetic coupling matrix within t he low-lying manifold spanned by the ground Kramers doublets of each ion.\ n\nIn all cases the magnetic interaction is not solely dipolar in origin\, indicating a measurable superexchange component. We find a unique orienta tion for the magnetic interaction matrix\, corresponding to a common elong ated oxygen bridge for the erbium(III) and ytterbium(III) analogues\, sugg esting a microscopic physical connection to the magnetic superexchange. Th ese results are vital for building and validating model microscopic Hamilt onians to understand the origins of magnetic interactions between lanthani des and how they may be controlled with chemistry.\n\n[1] E. Moreno Pineda \, N. F. Chilton\, R. Marx\, M. Dörfel\, D. O. Sells\, P. Neugebauer\, S. -D. Jiang\, D. Collison\, J. van Slageren\, E. J. L. McInnes and R. E. P. Winpenny\, Nature Commun.\, 2014\, 5\, 5243.\n\n[2] M. J. Giansiracusa\, E . Moreno-Pineda\, R. Hussain\, R. Marx\, M. Martínez Prada\, P. Neugebaue r\, S. Al-Badran\, D. Collison\, F. Tuna\, J. van Slageren\, S. Carretta\, T. Guidi\, E. J. L. McInnes\, R. E. P. Winpenny and N. F. Chilton\, J. Am . Chem. Soc.\, 2018\, 140\, 2504–2513.\n\nhttps://events01.synchrotron.o rg.au/event/84/contributions/2105/ LOCATION:AINSE Conference Centre New Illawarra Road Lucas Heights NSW 2234 Australia URL:https://events01.synchrotron.org.au/event/84/contributions/2105/ END:VEVENT BEGIN:VEVENT SUMMARY:Solid Ionic Conductors for Energy Applications: Developing a Compl ete Picture from Structure and Dynamics DTSTART;VALUE=DATE-TIME:20181119T011000Z DTEND;VALUE=DATE-TIME:20181119T013000Z DTSTAMP;VALUE=DATE-TIME:20260310T130020Z UID:indico-contribution-84-2301@events01.synchrotron.org.au DESCRIPTION:Speakers: Emily Cheung (University of New South Wales)\nThere has been renewed interest in solid state sodium-ion batteries (SIBs) as a safe\, sustainable and cost-effective alternative system for large scale e nergy storage applications.[1] This\, in turn\, has motivated many studies on the development of materials that facilitate high ionic conductivity o ver multiple charge-discharge cycles. Layered sodium manganates and the NA SICON family of compounds are promising candidate sodium electrode and sol id-state electrolyte materials respectively. In both cases\, it has been s hown that the overall performance of these materials for their respective functions is significantly improved through structural modifications\, inc luding by hydration or chemical doping.[2-8] However\, the characterisatio n of these materials are typically limited to techniques which only offer a macroscopic picture\, such as electrochemical impedance spectroscopy. As such\, direct links between conductivity and structure\, particularly wit h reference to the effect of chemical doping on the microscopic properties of materials are rarely investigated.\n\nWe have selected candidate mater ials which have been shown to be amongst the best performing for their pur pose and use high resolution diffraction data to solve their average struc ture. In parallel\, we use quasielastic neutron scattering spectroscopy to gain insight into the diffusion mechanisms at an atomic level. We consequ ently aim to form a fuller picture of the effects that structural modifica tions have on the ionic conductivity and hence overall performance of thes e materials.\n\nPalomares\, V.\, et al.\, Na-ion batteries\, recent advanc es and present challenges to become low cost energy storage systems. Energ y & Environmental Science\, 2012. 5(3): p. 5884-5901.\nHan\, M.H.\, et al. \, High-Performance P2-Phase Na2/3Mn0.8Fe0.1Ti0.1O2 Cathode Material for A mbient-Temperature Sodium-Ion Batteries. Chemistry of Materials\, 2016. 28 (1): p. 106-116.\nHan\, M.H.\, et al.\, Moisture exposed layered oxide ele ctrodes as Na-ion battery cathodes. Journal of Materials Chemistry A\, 201 6. 4(48): p. 18963-18975.\nJolley\, A.G.\, et al.\, Improving the ionic co nductivity of NASICON through aliovalent cation substitution of Na3Zr2Si2P O12. Ionics\, 2015. 21(11): p. 3031-3038.\nKhakpour\, Z.\, Influence of M: Ce4+\, Gd3+ and Yb3+ substituted Na3+xZr2-xMxSi2PO12 solid NASICON electr olytes on sintering\, microstructure and conductivity. Electrochimica Acta \, 2016. 196(Supplement C): p. 337-347.\nSamiee\, M.\, et al.\, Divalent-d oped Na3Zr2Si2PO12 natrium superionic conductor: Improving the ionic condu ctivity via simultaneously optimizing the phase and chemistry of the prima ry and secondary phases. Journal of Power Sources\, 2017. 347: p. 229-237. \nSong\, S.\, et al.\, A Na(+) Superionic Conductor for Room-Temperature S odium Batteries. Scientific Reports\, 2016. 6: p. 32330.\nNam\, K.W.\, et al.\, Critical Role of Crystal Water for a Layered Cathode Material in Sod ium Ion Batteries. Chemistry of Materials\, 2015. 27(10): p. 3721-3725.\n\ nhttps://events01.synchrotron.org.au/event/84/contributions/2301/ LOCATION:AINSE Conference Centre New Illawarra Road Lucas Heights NSW 2234 Australia URL:https://events01.synchrotron.org.au/event/84/contributions/2301/ END:VEVENT BEGIN:VEVENT SUMMARY:Neutron diffraction residual stress determinations on Intermetalli c alloy components produced by wire-arc additive manufacturing (WAAM) DTSTART;VALUE=DATE-TIME:20181120T035000Z DTEND;VALUE=DATE-TIME:20181120T041000Z DTSTAMP;VALUE=DATE-TIME:20260310T130020Z UID:indico-contribution-84-2296@events01.synchrotron.org.au DESCRIPTION:Speakers: Yan Ma (University of Wollongong)\, Huijun Li ()\nIn termetallic alloys such as aluminides of titanium\, nickel and iron exhibi t an attractive combination of physical and mechanical properties such as high melting point\, low density\, high strength\, good oxidation\, and cr eep resistance\, due to their strong internal order and mixed bonding. How ever\, the properties of these materials are often obtained at a cost in t erms of ease of manufacturing. In recent years the WAAM process has been s uccessfully applied to in-situ produce TiAl and Fe3Al intermetallic compon ents with designed chemical compositions. One of the major concern is resi dual stresses (RS) distribution in the WAAM fabricated components as it no t only influences the part tolerance but also cause premature failure.\n\n The neutron diffraction technique has been recoganised as the most precise and reliable method of mapping sub-surface RS in components for both acad emic and industrial-economic relevance. Considering the outstanding capabi lity of obtaining RS non-destructively deep within the interior of compone nts\, our study utilised neutron diffraction technique to conduct RS measu rement by the angular scanning instrument KOWARI. Furthermore\, an averagi ng method has been developed for the WAAM multi-bead buildup intermetallic alloys with large grain size. With the averaging method applied during ex perimental setup and data processing\, reasonable residual stress results have been obtained from the acquired neutron diffraction data.\n\nhttps:// events01.synchrotron.org.au/event/84/contributions/2296/ LOCATION:AINSE Conference Centre New Illawarra Road Lucas Heights NSW 2234 Australia URL:https://events01.synchrotron.org.au/event/84/contributions/2296/ END:VEVENT BEGIN:VEVENT SUMMARY:AUSTRALIAN CENTRE FOR NEUTRON SCATTERING: SAMPLE ENVIRONMENT REPOR T DTSTART;VALUE=DATE-TIME:20181121T030500Z DTEND;VALUE=DATE-TIME:20181121T032500Z DTSTAMP;VALUE=DATE-TIME:20260310T130020Z UID:indico-contribution-84-2295@events01.synchrotron.org.au DESCRIPTION:Speakers: Rachel White (ANSTO)\nIn the past 2 years since the 2016 AANSS symposium\, the sample environment group of the Australian Cent re for Neutron Scattering (ACNS) has continued to facilitate neutron exper iments and expand sample environment capability. This report will present the current sample environment and laboratory facilities and recent develo pments. \nWe have made progress in light irradiation and spectroscopy deve lopments\; on a new temperature controlled multi-sample changer with tumbl ing capability\; on a rotational PE Cell\; and on new sample probes made f rom composite materials. Other improvements include new high pressure coup lings for helium compressors and modifications to a dilution insert to all ow larger samples and use in other cryostats extending the capability. \nO ngoing major projects are a new superconducting split-coil magnet dedicate d to SANS and TOF-PAS\, two new cryostats (1.5 K to 800 K temperature rang e) with the aim of halving the system and sample cooling time and a new di lution fridge that will allow top-loading of samples and the ability to ta ke much larger samples than the existing dilution insert.\nThere have also been staffing changes with previous Sample Environment Group Leader\, Pao lo Imperia moving into the Operations Manager position. The new group lead er\, Rachel White\, was recently appointed. Our Laboratory Manager\, Debor ah Wakeham\, joined us in July 2017.\n\nhttps://events01.synchrotron.org.a u/event/84/contributions/2295/ LOCATION:AINSE Conference Centre New Illawarra Road Lucas Heights NSW 2234 Australia URL:https://events01.synchrotron.org.au/event/84/contributions/2295/ END:VEVENT BEGIN:VEVENT SUMMARY:Structural Design of Ionic Liquids for Biomass Processing DTSTART;VALUE=DATE-TIME:20181119T030000Z DTEND;VALUE=DATE-TIME:20181119T033000Z DTSTAMP;VALUE=DATE-TIME:20260310T130020Z UID:indico-contribution-84-2225@events01.synchrotron.org.au DESCRIPTION:Speakers: Haihui Joy Jiang (The University of Sydney)\nIonic l iquids (ILs) are molten salts at room temperature. ILs possess remarkable physio-chemical properties including high solubility of compounds that are otherwise insoluble in molecular solvents. One important application is t he dissolution of lignin during pretreatment of biomass. Previous studies have shown low-cost and biocompatible ILs containing cholinium as the cati on and an amino acid as the anion. Cholinium lysinate (ChLys) demonstrates the highest potential as a lignin processing solvent\, with low viscosity and high selectivity at ambient temperature. The treatment is effective w ith up to 20% water.\n\nTime-of-flight neutron diffraction directly measur es the structure of ILs and its mixtures. Using isotopic substitution of h ydrogen by deuterium\, we simultaneously fit a series of diffraction patte rns into a simulation method called Empirical Potential Structure Refineme nt (EPSR). This method experimentally refines a simulation box to describe liquid structure at the nano- and atomic scale. Our study investigates th e structure of amino-acid ILs\, with and without the presence of water. We use guaiacol (2-methoxy-phenol) as a model aromatic residue of lignin to identify key solvent-solute interactions. Bio-based ILs can be nanostructu red. Results show pronounced nanostructure of ChLys before and after the a ddition of water. The added water molecules form domains at the nanoscale\ , without disrupting the amphiphilic nanostructure of ILs. Based on key in termolecular interactions\, we present a framework for the design of IL st ructure to minimize competition and to enhance driving forces for aromatic extraction.\n\nhttps://events01.synchrotron.org.au/event/84/contributions /2225/ LOCATION:AINSE Conference Centre New Illawarra Road Lucas Heights NSW 2234 Australia URL:https://events01.synchrotron.org.au/event/84/contributions/2225/ END:VEVENT BEGIN:VEVENT SUMMARY:Behaviour of Single Transmembrane Peptides During In Meso Crystall ization from the Contrast-Matched Lipidic Cubic Phase of Monoolein DTSTART;VALUE=DATE-TIME:20181120T220000Z DTEND;VALUE=DATE-TIME:20181120T224500Z DTSTAMP;VALUE=DATE-TIME:20260310T130020Z UID:indico-contribution-84-2200@events01.synchrotron.org.au DESCRIPTION:Speakers: Charlotte Conn (RMIT)\nIn meso membrane protein crys tallization within a lipidic mesophase has revolutionized the structural b iology of integral membrane proteins (IMPs). High-resolution structures of these proteins are crucial to understanding fundamental cellular processe s at a molecular level\, and can lead to new and improved treatments for a wide range of diseases via rational drug design. However\, overall succes s rates of the promising in meso crystallization technique remain low beca use of a fundamental lack of understanding about factors that promote crys tal growth. In particular\, to date\, two decades from invention of the me thod\, the protein-eye-view of the in meso crystallization mechanism had n ot been solved. We have investigated this for the first time using small-a ngle neutron scattering (SANS).\nContrast-matching between the scattering of the lipid membrane formed by MO and the aqueous solution was used to is olate and track the scattering of single-transmembrane peptides during the growth of protein crystals in meso. No peptide enrichment was observed at the flat points of the diamond cubic QIID phase of MO in contrast to sugg estions in several modeling studies. During in meso crystallization of the DAP12 peptide a decrease in form factor and a transient fluid lamellar L α phase could be observed providing direct evidence for the proposed crys tallization mechanism. Synthesis of fully deuterated MO was required for t his purpose and scattering of this new material in various solvents and un der a range of conditions will be described\, specifically regarding the e ffect of the relative scattering length densities (SLD) of the headgroup\, acyl chain and solvent\, which can advance the use of neutron scattering with other self-assembly materials.\n\nhttps://events01.synchrotron.org.au /event/84/contributions/2200/ LOCATION:AINSE Conference Centre New Illawarra Road Lucas Heights NSW 2234 Australia URL:https://events01.synchrotron.org.au/event/84/contributions/2200/ END:VEVENT BEGIN:VEVENT SUMMARY:The CMRR neutron scattering instruments and application DTSTART;VALUE=DATE-TIME:20181120T051500Z DTEND;VALUE=DATE-TIME:20181120T053500Z DTSTAMP;VALUE=DATE-TIME:20260310T130020Z UID:indico-contribution-84-2283@events01.synchrotron.org.au DESCRIPTION:Speakers: Guang-ai Sun ()\nThe China Mianyang Research Reactor (CMRR) with the power of 20 MW is located in Mianyang city\, Sichuan Prov ince. The thermal and cold fluxes for neutron scattering experiments are 2 .4×1014 n/cm2•s and 109 n/cm2•s\, respectively. The reactor has run 1 20 days in 2016\, and run more than 150 days in 2017. Now it has been incl uded in the website: Neutronsources.org. Eight neuron scattering instrumen ts have been operated normally from the middle of 2014. Four thermal neutr on instruments were installed in the reactor hall: a high resolution neutr on diffractometer (HRND)\, a residual stress neutron diffractometer (RSND) \, a thermal neutron radiography station (TNR) and a high pressure neutron diffractometer (HPDC). Four cold neutron instruments were installed in th e guide hall: a small-angle neutron spectrometer (SANS)\, a time-of-flight and polarized neutron reflectometer (TPNR)\, a cold-neutron triple-axis s pectrometer (CTAS) and a cold neutron radiography station (CNR). Intensive work has also been done for instrument improving during recent years. The texture measurement was realized on the RSND by utilizing the Kappa gonio meter. The HPDC is has been upgraded with 6.7m focusing neutron guide to i mprove the flux\, which has reached to 3 ×106n • cm-2 • s-1. The high pressure loading has realized maximum pressure 20GPa. The HRPD will be up grade with high resolution and high intensity modes. SANS has changed the velocity selector with GE products and adjust the collimation system\, thu s the cold neutron flux at the sample position is 2×107 n•cm-2•s-1. T he characteristics of the TPNR are the time-of-flight and polarization mod es. Relative resolution of momentum transfer of the TPNR is ∆q/q=(0.5~5) % for q=(0.05~3.0) nm−1. The CTAS has an energy resolution of ∆E/E≤2 % with a range of energy transformation of 0~10 meV.\n\nBased on the neutr on scattering instruments at CMRR\, some interesting research experiments have also been done. RSND provides a unique tool for accessing the interna l stress distribution and deform mechanism inside components. Neutron powd er diffraction pattern gives the degrees of structure distortion and chang es of bond lengths between Co/Fe and O in Co0.708Fe0.292WO4\, CoWO4 and Fe WO4\, which has been published on Nano Energy. The finding of the localize d NH4+ and totally disordered H+ in the battery of (NH4)3Zr(H2/3PO4)3 has been published on 2018. Some results of soft matter using SANS has been pu blished on Macromolecules and Adv. Mater. etc. Some magnetic film study by TPNR has been published on Sci. Report. and Phys. Rev. Appl. etc.\n\nThe second phase for neutron instruments construction has been started from 20 17. Three new instruments will be built within next 3-5 years\, which are a polarized thermal neutron triple-axis spectrometer (TTAS)\, an ultra sma ll-angle neutron spectrometer (USANS)\, and a neutron standard-test beam l ine (NSTB) for single crystal and texture measurement\, respectively. More sample environment systems will be equipped for the present spectrometers \, such as high/low temperature\, high pressure\, superconducting magnetic field\, chemical loading (hydrogen/deuterium gas environment)\, and so on . Recently\, we also get the funding for neutron spin echo spectrometer. T he inelastic mode (LNRSE) and small angle mode (SESANS) are both under des igned by split the C3 cold neutron guide using bend guide. The relative po larized 3He signal was firstly observed by FID NMR in May 4 2018. So it co uld be expected that more contributions for the neutron scattering will be made by our institute in China.\n\nhttps://events01.synchrotron.org.au/ev ent/84/contributions/2283/ LOCATION:AINSE Conference Centre New Illawarra Road Lucas Heights NSW 2234 Australia URL:https://events01.synchrotron.org.au/event/84/contributions/2283/ END:VEVENT BEGIN:VEVENT SUMMARY:Thermal expansion and phase changes of methane and nitrogen at Plu to temperatures DTSTART;VALUE=DATE-TIME:20181119T051500Z DTEND;VALUE=DATE-TIME:20181119T053500Z DTSTAMP;VALUE=DATE-TIME:20260310T130020Z UID:indico-contribution-84-2280@events01.synchrotron.org.au DESCRIPTION:Speakers: Helen Maynard-Casely (ANSTO)\nSome of the most strik ing images from the New Horizons fly-by of Pluto were of the towering moun tains surrounded by seemingly flowing glacial terrain [1]. The explanation for this terrain has its basis in crystallography\, where at 44 K the str ength of the hydrogen bond endows water ice with the resilience to build s uch mountains\, while the rotational disorder in the solid structures of m ethane [2] and nitrogen [3] allow these materials to flow plastically even at 44K. These interpretations have been strengthened by the spectral obse rvations that correlate these materials to the respective terrains [4]. \n In order to undertake accurate modelling of the geological features on Plu to the physical properties of the constituent materials must be well const rained. Although water-ice has been the subject of intensive laboratory st udies\, the same cannot be said of methane and nitrogen. The thermal expan sions of these materials have been investigated [5]\, but only to a lowest temperature of 40 K and using techniques which were largely insensitive t o\, in particular\, the hydrogen positions within methane. Thus\, the aim of the experiments reported here is to investigate the structures and dete rmine the thermal expansion of methane and nitrogen over temperatures rele vant to Plutonian processes using neutron diffraction.\n\nReferences: [1]. Moore\, J.M.\, et al.\, Science\, 2016. 351(6279): p. 1284-1293. [2]. Pre ss\, W.\, Journal of Chemical Physics\, 1972. 56: p. 2597. [3]. Press\, W. \, B. Janik\, and H. Grimm\, Zeitschrift für Physik B Condensed Matter\, 1982. 49(1): p. 9-16. [4]. Grundy\, W.\, et al.\, Science\, 2016. 351(6279 ): p. aad9189. [5]. Heberlein\, D.\, E. Adams\, and T. Scott\, Journal of Low Temperature Physics\, 1970. 2(3): p. 449-463.\n\nhttps://events01.sync hrotron.org.au/event/84/contributions/2280/ LOCATION:AINSE Conference Centre New Illawarra Road Lucas Heights NSW 2234 Australia URL:https://events01.synchrotron.org.au/event/84/contributions/2280/ END:VEVENT END:VCALENDAR