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ANSTO Publications Online

Welcome to the ANSTO Institutional Repository known as APO.

The APO database has been migrated to version 8.3. The functionality has changed, but the content remains the same.

ANSTO Publications Online is a digital repository for publications authored by ANSTO staff since 2007. The Repository also contains ANSTO Publications, such as Reports and Promotional Material. ANSTO publications prior to 2007 continue to be added progressively as they are in identified in the library. ANSTO authors can be identified under a single point of entry within the database. The citation is as it appears on the item, even with incorrect spelling, which is marked by (sic) or with additional notes in the description field.

If items are only held in hardcopy in the ANSTO Library collection notes are being added to the item to identify the Dewey Call number: as DDC followed by the number.

APO will be integrated with the Research Information System which is currently being implemented at ANSTO. The flow on effect will be permission to publish, which should allow pre-prints and post prints to be added where content is locked behind a paywall. To determine which version can be added to APO authors should check Sherpa Romeo. ANSTO research is increasingly being published in open access due mainly to the Council of Australian University Librarians read and publish agreements, and some direct publisher agreements with our organisation. In addition, open access items are also facilitated through collaboration and open access agreements with overseas authors such as Plan S.

ANSTO authors are encouraged to use a CC-BY licence when publishing open access. Statistics have been returned to the database and are now visible to users to show item usage and where this usage is coming from.

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    Phonon density of states of magnetite (Fe3O4) nanoparticles via molecular dynamics simulations
    (Elsevier, 2026-01) Galaviz, P; Portwin, KA; Yu, DH; Rule, KC; Cortie, DL; Cheng, ZX
    This study presents a comprehensive computational investigation of magnetite nanoparticles, systematically evaluating a range of force fields against experimental results. We analyze the influence of particle size, temperature, and surface-adsorbed water molecules on the structural and dynamic properties of the nanoparticles. We performed classical molecular dynamics simulations of nanoparticles and bulk magnetite and utilized density functional theory calculations for bulk magnetite for comparison. Our results reveal that nanoparticle size and the presence of adsorbed water molecules have a pronounced impact on the vibrational density of states. Specifically, as the nanoparticle size is decreased, phonon modes exhibit significant broadening and softening, which is attributable to reduced phonon lifetimes resulting from enhanced boundary scattering. The incorporation of water further broadens the density of states and extends the spectra to higher energy regions. Temperature variations result in a slight broadening and softening of the phonon density of states, particularly in the oxygen-dominated region, which is attributed to phonon anharmonicity. Our results close a gap by providing a systematic phonon density of states study on magnetite nanoparticles and outline a reusable framework for characterizing similar nanomaterials. © 2025 The Author(s). Published by Elsevier B.V. Open Access CC BY 4.0.
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    Temperature and hydrological change in central Australia through the last glacial cycle: insights from clumped isotope analysis of lacustrine molluscs
    (Elsevier, 2025-02) Nixon, FC; Tyler, JJ; Klaebe, RM; Priestley, SC; Hua, Q; Arnold, LJ; Cohen, TJ
    Quantitative records of past temperature are crucial for understanding the full range of variability experienced on Earth's surface, and associated drivers. However, Quaternary temperature reconstructions for arid regions are rare, particularly in the Southern Hemisphere, including Australia. Here we utilise the clumped isotope (Δ47) thermometer to estimate carbonate precipitation temperatures for fossil mollusc (Coxiella sp. and Corbicula australis) shells deposited within Quaternary shoreline sediments of three large ephemeral lakes – Kati Thanda-Lake Eyre, Lake Frome, and Lake Callabonna as a way of investigating past climatic conditions in Australia's arid interior throughout the last glacial-interglacial cycle. This study constitutes the longest and most detailed record of past temperature variability to date in central Australia, with estimated mean annual air temperatures (MAAT) inferred to be ∼4–6 °C cooler than modern-day conditions between ∼51 and 33 ka and air temperatures comparable to present interpreted for 196 ± 12 ka and ∼75-57 ka. Calculated MAAT estimates are supported by Δ47 measurements for modern mollusc shells, collected in salt lakes in southern Western Australia, which give accurate modern air temperature estimates within the bounds of uncertainty. Additionally, calculated water temperatures and carbonate δ18O are used to infer past lake hydrology. Carbonate δ18O was driven predominantly by changes in lake water δ18O, rather than by environmental temperature, depicting changes in the evaporative state of the palaeo-lakes. While these findings are limited by the inability to confirm the absence of potential disequilibrium effects and uncertainties regarding the organisms' life cycles, our results demonstrate the value of clumped isotopes for reconstructing palaeoclimate in arid environments and indicate significant temperature variability in Australia's arid interior during the last glacial-interglacial cycle. © 2024 The Authors. Published by Elsevier Ltd. Open Access CC BY 4.0.
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    Cooperative relay catalysis over Cu–Fe dual sites via N-intermediate and hydrogen radical pathways for ammonia production
    (Royal Society of Chemistry (RSC), 2026-01-19) Zhang, M; Li, ZG; Ma, ZP; Tsounis, C; Han, C; Zhou, SJ; Zhong, WY; Vongsvivut, JP; Yun, J; Weng, ZH; Pan, J; Amal, R
    Dual-atom catalysts (DACs) offer a powerful platform to investigate synergistic mechanisms in complex electrocatalytic reactions, yet direct experimental validation remains scarce. In this work, we present comprehensive evidence for a cooperative relay mechanism over a Cu–Fe DAC in the electrochemical reduction of nitrate (NO 3 − RR) to ammonia (NH 3 ). The spatially adjacent Cu and Fe atoms perform distinct but complementary roles: Cu sites facilitate NO 3 − activation and deoxygenation steps, while Fe sites drive stepwise hydrogenations through *H radical-assisted transfer. In situ Fourier-transform infrared (FTIR) spectroscopy, X-ray absorption spectroscopy (XAS), and electron paramagnetic resonance (EPR) collectively capture the evolution of N-containing intermediates and transient *H species, providing direct evidence for the dual-site relay pathway. This work elucidates the mechanistic underpinnings of DACs in NO 3 − RR and highlights cooperative site-specific catalysis as a promising design strategy for selective nitrogen conversion. © The Royal Society of Chemistry 2026. Open Access CC BY-NC 4.0.
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    Hardening due to vanadium carbides formed during short-time aging of hadfield steels
    (Springer Nature, 2023-06-19) Wang, JT; Bruel, G; Wang, ZY; Gilbert, EP; Cizek, P; Corujeira-Gallo, S; Fabijanic, D; Barnett, MR
    Precipitation hardening is a promising approach for strengthening of Hadfield steels. The present study examines the potential to achieve this by combining vanadium addition (up to 2 wt pct) with short-time aging (15 minutes) at 1173 K (900 °C). It was found that such a treatment is sufficient to generate a dispersion of nanoscale precipitates that provided a significant increase in hardness. Small-angle neutron scattering and transmission electron microscopy measurements were performed to quantify the particle dispersion, and Orowan precipitate hardening predictions made using the parameters thus obtained show good correspondence with the observed rates of age hardening, suggesting the precipitates are resistant to shearing. The present steels containing vanadium showed a small reduction in work-hardening capacity and this is believed to be due to carbon depletion from the matrix. It is concluded that the addition of vanadium and a short aging treatment at 1173 K (900 °C) provide a promising pathway to imparting hardness increases that provide gouge resistance during the running-in period of components made from Hadfield steel. For optimum performance, additional carbon should be added to maintain the solute carbon content of the matrix, and hence the matrix work-hardening rate. © 2026 Springer Nature. Open Access CC-BY-4.0
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    Nanoparticles of uranium and rare earth elements in polymetallic mine waste
    (Elsevier, 2026-06-15) Sanyal, SK; Etschmann, BE; Brugger, J; de Vega, RG; Moro, TT; Wong, V; Baggott, K; Clases, D; Paton, L
    Waste from metal mining is a global and escalating issue. Risks are particularly severe for reactive minerals, which, upon exposure to oxygen, water and/or microbial activity, can cause widespread contamination (e.g., acid drainage from sulfide oxidation). This study investigates the nature of colloids within historic U-REE-Cu-rich mine wastes from Mount Painter in the Northern Flinders Ranges, South Australia. The primary mineralogical hosts of uranium (torbernite) and rare earth elements (monazite-(Ce)) are phosphate minerals, which are insoluble phases typically considered to limit U and REE mobility in groundwater. However, single particle ICP-MS analysis revealed substantial concentrations of polymetallic nanoparticles enriched in U-REE-(Fe) and concentrated within the surface layers (0-10 cm) of the waste. Microbial diversity is highest near the surface, which is interpreted to promote the dissolution of phosphate minerals and the transformation of liberated metals into nanoparticles. This correlation suggests the potential for microbial consortia to extract metals from stable minerals and transform them into environmentally mobile colloidal forms, with significant implications for the biogeochemical cycling and environmental management of metals such as U and REE released by mining of both base metals and critical minerals. © 2026 The Author(s). Published by Elsevier B.V. Open Access CC BY 4.0.