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Ab initio molecular dynamics simulations of negative thermal expansion in ScF3: The effect of the supercell size
(Elsevier B.V., 2020)
Scandium fluoride (ScF3) belongs to a class of negative thermal expansion (NTE) materials. It shows a strong lattice contraction up to about 1000 K switching to expansion at higher temperatures. Here the NTE effect in ScF3 ...
Influence of Nb-doping on the local structure and thermoelectric properties of transparent TiO2:Nb thin films
(Elsevier Ltd, 2020)
Transparent n-type niobium-doped titanium dioxide thin films (TiO2:1.5 at.%Nb) with pronounced thermoelectric properties were produced from a composite Ti:Nb target by reactive magnetron sputtering. The thin films were ...
Recent progress in high-pressure X-ray absorption spectroscopy studies at the ODE beamline
(Taylor and Francis Ltd., 2020)
High pressure energy-dispersive X-ray absorption spectroscopy is a valuable structural technique, especially, when combined with a nano-polycrystalline diamond anvil cell. Here we present recent results obtained using the ...
Evidence of nickel ions dimerization in NiWO4 and NiWO4 – ZnWO4 solid solutions probed by EXAFS spectroscopy and reverse Monte Carlo simulation
(Elsevier, 2021)
The existence of exchange-coupled Ni ions – the so-called magnetic dimers – in wolframite-type NiWO and ZnNiWO solid solutions with high nickel content was discovered by X-ray absorption spectroscopy combined with reverse ...
The influence of Zn2+ ions on the local structure and thermochromic properties of Cu1-xZnxMoO4 solid solutions
(Elsevier, 2021)
The influence of zinc ions on the thermochromic properties of polycrystalline CuZnMoO (=0.10, 0.50, 0.90) solid solutions was studied by X-ray absorption spectroscopy at the Cu, Zn and Mo K-edges. Detailed structural ...
EDA: EXAFS data-analysis software package
(Wiley, 2021)
The EXAFS data-analysis software package EDA consists of a suite of programs running under a Windows operating system environment that is designed to perform all steps of conventional EXAFS data analysis such as extraction ...
In Situ Study of Zinc Peroxide Decomposition to ZincOxide by X-Ray Absorption Spectroscopy and ReverseMonte Carlo Simulations
(Wiley, 2022)
The Zn K-edge X-ray absorption spectroscopy is used to investigate in situ the decomposition of zinc peroxide ((Formula presented.)) to zinc oxide (ZnO). Principal component and linear combination analyses of the extended ...
Effect of High-Pressure Torsion on Phase Formation and Mechanical Properties of a High-Entropy TiZrHfMoCrCo Alloy
(MDPI, 2023)
This investigation delved into the alterations in the mechanical properties of a TiZrHfMoCrCo high-entropy alloy due to phase transformations induced by high-pressure torsion (HPT). The alloy’s genesis involved levitation ...
Effect of High-Pressure Torsion on Phase Formation and Mechanical Properties of a High-Entropy TiZrHfMoCrCo Alloy
(MDPI, 2023)
This investigation delved into the alterations in the mechanical properties of a TiZrHfMoCrCo high-entropy alloy due to phase transformations induced by high-pressure torsion (HPT). The alloy’s genesis involved levitation ...
Influence of Heat Treatment and High-Pressure Torsion on Phase Transformations in TiZrHfMoCr High-Entropy Alloy
(MDPI, 2023)
The study focused on a 21.99 at.%Ti–22.49 at.%Zr–20.35 at.%Hf–17.45 at.%Mo–17.73 at.%Cr). Analytical techniques such as X-ray diffraction, scanning electron microscopy as well as X-ray absorption spectroscopy were employed ...