| People | Locations | Statistics |
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| Naji, M. |
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| Motta, Antonella |
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| Aletan, Dirar |
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| Mohamed, Tarek |
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| Ertürk, Emre |
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| Taccardi, Nicola |
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| Kononenko, Denys |
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| Petrov, R. H. | Madrid |
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| Alshaaer, Mazen | Brussels |
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| Bih, L. |
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| Casati, R. |
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| Muller, Hermance |
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| Kočí, Jan | Prague |
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| Šuljagić, Marija |
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| Kalteremidou, Kalliopi-Artemi | Brussels |
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| Azam, Siraj |
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| Ospanova, Alyiya |
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| Blanpain, Bart |
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| Ali, M. A. |
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| Popa, V. |
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| Rančić, M. |
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| Ollier, Nadège |
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| Azevedo, Nuno Monteiro |
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| Landes, Michael |
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| Rignanese, Gian-Marco |
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Wróbel, Jan S.
Warsaw University of Technology
in Cooperation with on an Cooperation-Score of 37%
Topics
Publications (9/9 displayed)
- 2023A quinary WTaCrVHf nanocrystalline refractory high-entropy alloy withholding extreme irradiation environmentscitations
- 2022Mechanical characterisation of V-4Cr-4Ti alloy:Tensile tests under high energy synchrotron diffractioncitations
- 2022Mechanical characterisation of V-4Cr-4Ti alloycitations
- 2021Composition Stability and Cr-Rich Phase Formation in W-Cr-Y and W-Cr-Ti Smart Alloyscitations
- 2021Advanced self-passivating alloys for an application under extreme conditionscitations
- 2021Elastic dipole tensors and relaxation volumes of point defects in concentrated random magnetic Fe-Cr alloyscitations
- 2020Chemical short-range order in derivative Cr–Ta–Ti–V–W high entropy alloys from the first-principles thermodynamic studycitations
- 2020Elastic dipole tensors and relaxation volumes of point defects in concentrated random magnetic Fe-Cr alloys
- 2008Atomic ordering in nano-layered L1<inf>0</inf> Ab binaries: Multiscale Monte-Carlo simulations
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document
Elastic dipole tensors and relaxation volumes of point defects in concentrated random magnetic Fe-Cr alloys
Abstract
Point defects in body-centred cubic Fe, Cr and concentrated random magnetic Fe-Cr are investigated using density functional theory and theory of elasticity. The volume of a substitutional Cr atom in ferromagnetic bcc Fe is approximately 18\% larger than the volume of a host Fe atom, whereas the volume of a substitutional Fe atom in antiferromagnetic bcc Cr is 5\% smaller than the volume of a host Cr atom. Elastic dipole ${P}$ and relaxation volumetensors of vacancies and self-interstitial atom (SIA) defects exhibit large fluctuations, with vacancies having negative and SIA large positive relaxation volumes. Dipole tensors of vacancies are nearly isotropic across the entire alloy composition range, with diagonal elements $P_{ii}$ decreasing as a function of Cr content. Fe-Fe and Fe-Cr SIA dumbbells are more anisotropic than Cr-Cr dumbbells. Fluctuations of elastic dipole tensors of SIA defects are primarily associated with the variable crystallographic orientations of the dumbbells. Statis tical properties of tensors ${P}$ andare analysed using their principal invariants, suggesting that point defects differ significantly in alloys containing below and above 10\% at. Cr. The relaxation volume of a vacancy depends sensitively on whether it occupies a Fe or a Cr lattice site. A correlation between elastic relaxation volumes and magnetic moments of defects found in this study suggests that magnetism is a significant factor influencing elastic fields of defects in Fe-Cr alloys.