Name: AANSS2024
Start: 2024-11-04T09:00:00+11:00
End: 2024-11-06T17:00:00+11:00
Location: ANSTO

AANSS2024

from Monday, 4 November 2024 (09:00) to Wednesday, 6 November 2024 (17:00)

Monday, 4 November 2024
09:30 Session 1
Session 1
09:30 - 11:00
Room: AINSE Theatre
Contributions

09:30 Update from the Australian Centre for Neutron Scattering - Jamie Schulz (ANSTO)
11:00 Morning tea
Morning tea
11:00 - 11:20
Room: AINSE Theatre
11:20 Session 2
Session 2
11:20 - 12:50
Room: AINSE Theatre
Contributions

11:20 The anisotropic magnetism of the cobalt-doped rare earth iron garnet Lu3Fe4Co0.5Si0.5O12 - Siobhan Tobin (University of Oxford & ANSTO)

11:40 Investigating the perturbation to the spin ordering of the helimagnet Cu2OSeO3 upon doping - Samuel Yick (University of Auckland)

12:00 Dynamic realignment of the antiferromagnetic structure of exchange-biased CoFe /MnPt - Danica Solina (University of Technology Sydney) Michael Cortie (University of Technology Sydney)
12:50 Lunch
Lunch
12:50 - 13:50
Room: AINSE Theatre
13:50 Session 3
Session 3
13:50 - 16:10
Room: AINSE Theatre
Contributions

14:50 Spin wave excitations and two sublattice interactions of 153EuMn2Ge2 - Richard Mole (ANSTO)

15:10 Magnetic fans, propellers and twist structures: Micromagnetic simulations to describe polarised neutron reflectometry data - Karen Livesey (University of Newcastle)

15:50 Recent polarised neutron experiments at ACNS - Andrew Manning (ANSTO)
16:15
16:15 - 20:15
Room: AINSE Theatre
Contributions

16:15 High-throughput characterisation of salt-induced aggregation and re-entry of silica nanoparticles - Geran Dunlop (The University of Newcastle)

16:35 Grafting siloxane-containing methacrylates from surfaces - Zac Di Pietro (University of Newcastle)

16:55 The Martensitic Transformation in In-Tl Alloys Revisited - Trevor Finlayson (University of Melbourne)

17:15 Modelling the magnetic exchange interactions relative to inelastic neutron scattering results in the quantum antiferromagnet atacamite - Kirrily Rule (ANSTO)

17:35 Recent developments on Echidna - James Hester (The Australian Nuclear Science and Technology Organisation )

17:55 Small-Angle Neutron Scattering Analysis of a Novel Microemulsion-Based Electrolyte - Aliyu Salisu (University of Newcastle)

18:15 Pydingo, a new GUI software package for simple CT reconstruction - Ulf Garbe (ANSTO)

18:35 Methods to calculate the corresponding neutron scattering length density from spin-polarised density functional theory - Syeda Amina Shabbir Cortie David

18:55 Study Multiferroic/Magnetoelectric Materials using Inelastic Neutron Scattering Technique - Guochu Deng (Australian Nuclear Science and Technology Organization)

19:15 Polarised Neutron Scattering Capabilities at ACNS - Andrew Manning (ANSTO)

19:35 Upgrades to the Kowari Strain Scanner - Mark Reid (ANSTO)

19:55 18 years of Wombat – the high intensity diffractometer at OPAL - Helen Maynard-Casely (Australian Nuclear Science and Technology Organisation)

19:55 A semiempirical Hartree-Fock and an analytical tight-binding approach to solid-state calculations for inelastic neutron scattering - Anton Stampfl (Australian Nuclear Science and Technology Organisation)

19:55 Mechanisms of molecular dynamics in anomalous thermal expansion of NaSICON-type ceramics - Kaylee Clark (The University of Sydney)

19:55 Modelling diffuse magnetic scattering in a “partial spin-liquid” kagomé compound - Chris Ling (University of Sydney)

19:55 Small and ultra small angle neutron scattering is useful for porosity analysis in fossil coral reef core - Carra Williams (University of Sydney)

19:55 Revising Magnetic Features in a New 2D vdW Ferromagnet: Fe3GaTe2 - Mengyun (Molly) You

19:55 Determining the micellar composition of sulfobetaine surfactants through small-angle neutron scattering and molecular dynamics simulations - Ramya Narayan Khandika (Charles Darwin University)

19:55 Emu, the high-resolution neutron spectrometer: Its successes and challenges - Alice Klapproth (ANSTO - Australian Centre for Neutron Scattering)

19:55 Pelican focussing guide project - Richard Mole (ANSTO)

19:55 Thermal-Neutron Triple-axis Spectrometer Taipan and Its Future Upgrade at ANSTO - Guochu Deng (Australian Nuclear Science and Technology Organization)

19:55 Optimizing Lipid Cubosomes for Alzheimer's Drug Delivery: Impact of Lipid Composition and Stabilizers - Lucrezia Guarneri

19:55 Characterising the SEI of lithium-mediated electrochemical nitrogen reduction via in operando X-Ray Radiography - Laela Ezra (Monash University)
Tuesday, 5 November 2024
09:00 Session 4
Session 4
09:00 - 10:10
Room: AINSE Theatre
Contributions

09:30 Material Properties and Residual Stress Measurements in Additively Manufactured 316L stainless steel components - Markus Domogala (The University of Sydney and ANSTO)

09:50 Additive Friction Stir Deposition (AFSD) for High-Strength Aluminium Alloys - Vladislav Yakubov (University of Sydney)
10:30 Session 5
Session 5
10:30 - 12:10
Room: AINSE Theatre
Contributions

10:50 Water Dynamics in Australian Native Fruits as studied using Neutron Spectroscopy and Tomography - Paul Michalski (Monash University)

11:10 Recent applications of neutron backscattering spectroscopy at ANSTO - Nicolas de Souza (ANSTO - Australian Centre for Neutron Scattering)

11:30 Specific Ion Effects on the Behaviour of a Pluronic Block Copolymer in the Bulk and at the Air/Water Interface - Grant Webber (The University of Newcastle)

11:50 CLIC1 interaction with Model Membranes - Khondker Rufaka Hossain (University of Technology Sydney)
13:30 Session 6
Session 6
13:30 - 18:30
Room: AINSE Theatre
Wednesday, 6 November 2024
10:00 Structural instability in BiVO4 under compression - Brendan Kennedy (The University of Sydney)
Structural instability in BiVO4 under compression
- Brendan Kennedy (The University of Sydney)
10:00 - 10:20
Room: AINSE Theatre Bismuth Vanadate displays rich polymorphism, resulting in a complex structural phase diagram. Owing to it’s potential as a photocatalyst for hydrogen production understanding the factors that influence its structure are important. This presentation focus on variable pressure neutron diffraction studies that reveal BiVO4 undergoes an unusual increase in symmetry, from monoclinic to tetragonal, upon application of modest pressure. This correlates with a significant reduction in both the volume and distortion of the BiO8 polyhedra, consistent with pressure induced melting of the Bi 6s2 lone pair electrons. Conversely the VO4 tetrahedra are relatively incompressible. The behaviour of BiVO4 is compared to that of the isostructural oxide LaNbO4 that lacks lone pair electrons.
10:40 Automated Analysis of Neutron Reflection Data from a Lithium-Mediated Nitrogen Reduction Reaction Using Bayesian Evidence - Callum Weir-Lavelle
Automated Analysis of Neutron Reflection Data from a Lithium-Mediated Nitrogen Reduction Reaction Using Bayesian Evidence
- Callum Weir-Lavelle
10:40 - 11:00
Room: AINSE Theatre Ammonia has been identified as a carbon-free energy vector with the potential to fill some of the void to be left in the energy landscape as the planet decarbonises. To aid in the chances of an ammonia fuel being implemented, new and scalable production processes are being studied to enable its synthesis at off grid renewable energy farms. Currently, the most viable method is the electrochemical-lithium-mediated nitrogen reduction reaction. The reaction works *via* lithium reduction at the surface of the electrode. The lithium then follows thermodynamically feasible reactions with dinitrogen to lithium nitride and with any labile protons in the system to produce ammonia. Despite this simple theory behind which the ammonia is formed the actual composition and morphology of the surface deposit undergoing the reaction is not known. The reaction’s complexity is increased by the presence of a solid electrolyte interphase, produced by the decomposition of electrolyte species either electrochemically or upon interaction with reactive lithium species. The interphase is responsible for allowing uniform lithium plating and moderating in the influx of reactants at appropriate ratios to prevent undesirable hydrogen evolution. This talk discusses the modelling of *in-situ* neutron reflectometry conducted on these reactive surfaces. The modelling of these data sets can be erroneously biased by restrictive and incorrectly deduced bounds especially when there is high uncertainty in the prior knowledge of surface morphology and composition. The method proposed here aims to avoid these pitfalls enabling automated modelling of the time-resolved data with data-led smoothing and evidence-based model selection. Key points include: • Automation for analysing large numbers of time-resolved datasets. • Allowing the model to change between different time segments. • Model selection using Bayes Factors. • Smoothing infeasible outputs with data-driven bias. • Dealing with multimodality in the posterior distribution.
11:50 Rediscovery of lost art in Reflectometry - using Maximum Entropy to study 'diffuse' systems - Andrew Nelson (ANSTO)
Rediscovery of lost art in Reflectometry - using Maximum Entropy to study 'diffuse' systems
- Andrew Nelson (ANSTO)
11:50 - 12:10
Room: AINSE Theatre Many innovative data analysis approaches have been developed since the inception of the reflectometry technique. Unfortunately many of them have fallen out of active use due to the lack of software tools implementing those approaches. In this talk we’ll explore some historical approaches used for the freeform modelling of 'diffuse' (continuously varying) scattering length density profiles, including Cubic-B-Splines and Maximum Entropy. We'll then explain why we've resurrected them, how they're particularly useful for modelling polymer brush systems, and their general applicability across a wide range of 'diffuse' systems where the structure may not be known a-priori.
12:10 Recent Scientific Highlights and Developments on the Spatz Neutron Reflectometer - Anton Le Brun (ANSTO)
Recent Scientific Highlights and Developments on the Spatz Neutron Reflectometer
- Anton Le Brun (ANSTO)
12:10 - 12:30
Room: AINSE Theatre The Spatz neutron reflectometer is a time-of-flight reflectometer with a vertical sample geometry. The reflectometer was originally the V18 BioRef reflectometer at the BER-II reactor in Berlin, Germany, and transferred to Australia. Spatz currently sits at the end of the CG2B cold guide and views the cold-neutron source of the 20 MW OPAL Research Reactor [1]. Spatz entered user service in late 2020 and since then the instrument has produced several high impact publications and implemented a program of upgrades. Due to the vertical sample geometry this means that sample environments that could not be used on the Platypus reflectometer due to its horizontal sample geometry can now be utilised for reflectometry. One such example of this is the use of the high temperature vacuum furnace to look at the formation of epitaxial graphene films on silicon carbide [2]. Other recent instrument upgrades include the installation of a vertical sample changer for automated sample changing and installation of high precision collimation slits. Upgrades for the near-future include new solid-liquid cells, and scoping for a new infra-red spectroscopy set-up. Recent scientific highlights include work investigating virus binding to cell membranes [3, 4], how changes in bacterial membrane composition relate to antibiotic resistance [5], determining the vertical morphology of different electron acceptor and donor blends in organic solar cells [6], characterisation of new biosensors [7], and re-entrant swelling of polyelectrolyte brushes [8]. This presentation will showcase some of the recent develops and highlights and outline future plans. [1] A.P. Le Brun et al., *J. Appl. Cryst.* **56,** 18 (2023) [2] A. Pradeepkumar et al., *RSC Adv.* **14,** 3232 (2024) [3] Y. Correa et al., *J. Colloid Interface Sci.* **645,** 627 (2023) [4] I. Milogrodzka et al., *J. Colloid Interface Sci.* **670,** 563 (2024) [5] M.-L. Han et al. *Cell Reports* **43,** 114410 (2024) [6] T.-Y. Huang et al., *ACS Appl. Nano Mater.* **7,** 17588 (2024) [7] U.M. Lankage et al., *ACS Appl. Mater. Interfaces* **15,** 52237 (2023) [8] H. Robertson et al., *Phys. Chem. Chem. Phys.* **25,** 24770 (2023)
14:00 Neutron reflectometry for in operando characterisation of the solid electrolyte interphase (SEI) in electrochemical lithium-mediated nitrogen reduction reactions (Li-NRR) - Rebecca Hodgetts (Monash University)
Neutron reflectometry for in operando characterisation of the solid electrolyte interphase (SEI) in electrochemical lithium-mediated nitrogen reduction reactions (Li-NRR)
- Rebecca Hodgetts (Monash University)
14:00 - 14:20
Room: AINSE Theatre As the global population grows, the demand for essential resources such as food and energy will place a significant strain on the climate owing to the high levels of anthropogenic emissions generated during production. Despite advancements in renewable energy sources, such as solar power, the limitations of existing infrastructure hinder our ability to efficiently distribute harvested energy. Converting energy into chemical fuels allows for reliable long-term storage, enabling locally harvested renewable energy solutions to be utilised worldwide. Carbon-free options, such as ammonia, can be engineered to ensure negligible emissions at the point of use1,2. To produce economically viable, truly carbon-free ammonia fuel, it is essential to develop an energy-efficient synthesis process. An ammonia synthesis method growing in popularity is the electrochemical reduction of nitrogen from the atmosphere. Whilst protons would ideally be obtained from a sustainable resource such as the electrolysis of water, the delivery of protons must be precisely controlled due to direct competition from the hydrogen evolution reaction (HER)3,4. To date, strictly aprotic, lithium mediated systems are the only systems that exhibit performance relevant to the industrial scale5,6. Further improvements are still required (alternative mediators7,8, electrolyte decomposition9,10 proton donors10) to enhance the sustainability of this technology. Accurate assessment of these changes will require comprehensive investigation of the solid electrolyte interface (SEI). This research, conducted at ANSTO’s Open Pool Australian Light-water Reactor (OPAL), focuses on the development of high-performance electrochemical cells optimised for in operando analysis using neutron reflectometry. This approach allows for characterisation of the SEI layer composition across various mediators, electrolytes, and proton delivery systems. The advanced procedures and analysis techniques developed by this work will be discussed. Importantly, this methodology constitutes a versatile and comprehensive ongoing research project, which will continuously be adapted to accommodate future advancements in electrochemical Li-NRR system development. 1. W. I. F. David et al., 2023 roadmap on ammonia as a carbon-free fuel. Journal of Physics: Energy 6, 021501 (2024). 2. D. R. MacFarlane et al., A Roadmap to the Ammonia Economy. Joule 4, 1186-1205 (2020). 3. B. H. R. Suryanto et al., Nitrogen reduction to ammonia at high efficiency and rates based on a phosphonium proton shuttle. Science 372, 1187-1191 (2021). 4. N. Lazouski, M. Chung, K. Williams, M. L. Gala, K. Manthiram, Non-aqueous gas diffusion electrodes for rapid ammonia synthesis from nitrogen and water-splitting-derived hydrogen. Nature Catalysis 3, 463-469 (2020). 5. S. Li et al., Long-term continuous ammonia electrosynthesis. Nature 629, 92–97 (2024). 6. H.-L. Du et al., Electroreduction of nitrogen with almost 100% current-to-ammonia efficiency. Nature 609, 722-727 (2022). 7. X. Fu et al., Calcium-mediated nitrogen reduction for electrochemical ammonia synthesis. Nature Materials 23, 101-107 (2024). 8. M. Krebsz et al., Reduction of dinitrogen to ammonium through a magnesium-based electrochemical process at close-to-ambient temperature. Energy & Environmental Science, (2024). 9. A. N. Dey, E. J. Rudd, Electroinitiated Polymerization of Tetrahydrofuran. Journal of The Electrochemical Society 121, 1294 (1974). 10. N.-T. Nguyen et al., Nitrogen electroreduction to ammonia with phosphonium proton shuttles: Mass-transport vs. electrode surface chemistry effects. Chem, (2024).
15:00 Studying device processing steps with neutron reflectometry: Examples from quantum technology - David Cortie
Studying device processing steps with neutron reflectometry: Examples from quantum technology
- David Cortie
15:00 - 15:20
Room: AINSE Theatre Nanoscale thin films and surface coatings play an integral role in advanced devices for electronics, energy, spintronics and quantum technology. In order to prepare devices, the materials are typically subjected to a wide range of device processing conditions. This may include dozens of steps including film deposition, gas exposure, heat treatment, photolithography, liquid etching and ion beam implantation. Each individual step can introduce chemical and structural modifications, and unwanted defects, so it is essential to track and characterise the film between steps, and where possible, deploy in-situ techniques to optimise the processing in real-time. Here I will give an overview of the neutron reflectometry beamlines at ANSTO, including the new technical capabilities added since 2023, highlighting methods for studying electronic device processing steps. The capabilities include: • Rapid vacuum annealing to temperatures of 1100 °C whilst measuring neutron reflection; • Parallel beam optic diffraction experiments to enable simultaneous reflectometry and grazing incidence diffraction studies on Spatz for nanometer and angstrom-scale information on surface regions; • In-situ four-probe resistivity measurements during heating or hydrogen gas treatments; • Cryogenic magnetic field experiments to measure polarised neutron reflectometry on spintronic or superconducting layers from 5 K to 300 K, in 1 Tesla under in-plane field rotations up to 270 degrees; • Off-specular and half-polarised reflectometry of microscale lithographic patterns (5-50 μm); • Complementary ion implantation experiments using a MEVVA ion source and isotopically-resolved (mass separated) low energy implanter; • Complementary susceptibility, quantum oscillations, magnetoresistance, resistivity and Hall Effect measurements ; • Complementary X-ray reflectometry, grazing incidence diffraction and ellipsometry measurements; To show the capabilities in action, I’ll highlight collaborative work applied to quantum technology. This includes growth of novel superconducting films, in-situ growth of graphene-on-SiC, studying ion implantation in topological insulator materials and metal-polymer hybrid structures [1-4]. If time permits, I will discuss several upcoming and optional developments with the goal of getting feedback from the user community on: • A vacuum suitcase for transporting air-sensitive samples between processing steps; • Thin film deposition system integrated with vacuum suitcase for adjusting isotopic contrast; • 3He fully enabled polarization analysis of off-specular and grazing incidence; • In-situ ferromagnetic (spin-wave) spectroscopy of thin films ;
15:20 Cultural Heritage research using neutron methods at ACNS - Filomena Salvemini (ACNS-ANSTO)
Cultural Heritage research using neutron methods at ACNS
- Filomena Salvemini (ACNS-ANSTO)
15:20 - 15:40
Room: AINSE Theatre A major challenge in the investigation of material documents of cultural, historical and archaeological significance is the need of non-invasive scientific analytical methods to better understand our past thought the characterisation of ancient artefacts while preserving their unique value and integrity for transmission to future generations. This challenge is particularly evident in the study of ancient metals. Although laboratory-based techniques can provide valuable information, in some cases these conventional methods present strong limitation in term of penetration depth and representativeness. Neutron methods have emerged as a highly sensitive, accurate and non-invasive tool for archaeometallurgy investigations. The fundamental properties of the neutron — no electric charge, deep penetration power into matter, and interaction with the nucleus of an atom rather than with the diffuse electron cloud —make this sub-atomic particle the ideal probe to survey the bulk of dense materials like metals. In this paper a selection of relevant cross-disciplinary studies conducted at the Australian Nuclear Science and Technology Organisation (ANSTO) and undertaken in collaboration with Australian and international stakeholders will be showcased: from the advanced manufacture of arms and armours to the secret of votive items, through the invention of coinage.
15:40 Neutron Imaging for Palaeontology - Joseph Bevitt (ANSTO)
Neutron Imaging for Palaeontology
- Joseph Bevitt (ANSTO)
15:40 - 16:00
Room: AINSE Theatre Palaeontology and evolutionary studies are dependent on the physical measurement of bone dimensions to determine relationships between organisms, determine age at death, interpret lifestyles, predator-prey interactions and physical adaptions to a constantly changing world. These measurements have traditionally demanded the physical extraction of specimens from their surrounding rock. This process risks damage to small and fragile bones, loss of contextual information associated with the environment at that time, mode of preservation and articulation. For this reason, 3D imaging using X-rays has become a critical tool for the investigation and preservation of fossilised remains, which can now be investigated while remaining in their original matrix. For many fossil localities, the applicability of X-rays is limited due to the prevalence of authigenic pyrite - pyrite that forms within, and surrounding fossils due to the localised reduction of sulfate (from decomposing organic remains) in iron-rich pore waters. These iron-rich minerals are opaque to X-rays, and therefore obscure the fossil remains. Neutron imaging is a relatively new tool for palaeontology and has revolutionised the field for two reasons: a high-sensitivity to hydrogen, and greater ability to penetrate through iron-rich minerals such as pyrite. This presentation draws on high-profile palaeontological studies conducted using the DINGO neutron imaging instrument at ANSTO to demonstrate the complementarity of neutrons with X-rays. The method has become a game-changer for Australian palaeontology, attracting specimens for study from around the globe. It will highlight the advantage of neutrons in revealing cartilaginous soft-tissue remains, complete internal organs, stomach contents and entire organisms that are invisible to traditional X-ray tomography.

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