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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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Wejrzanowski, Tomasz
Warsaw University of Technology
in Cooperation with on an Cooperation-Score of 37%
Topics
Publications (27/27 displayed)
- 2023Recycling electronic scrap to make molten carbonate fuel cell cathodescitations
- 2022Effect of annealing on the mechanical and corrosion properties of 316L stainless steel manufactured by laser powder bed fusioncitations
- 2021Design of SiC-Doped Piezoresistive Pressure Sensor for High-Temperature Applicationscitations
- 2021Supporting ionic conductivity of Li2CO3/K2CO3 molten carbonate electrolyte by using yttria stabilized zirconia matrixcitations
- 2021Elastic dipole tensors and relaxation volumes of point defects in concentrated random magnetic Fe-Cr alloyscitations
- 2020Metallic foam supported electrodes for molten carbonate fuel cellscitations
- 2020Metallic foam supported electrodes for molten carbonate fuel cellscitations
- 2018Multi-modal porous microstructure for high temperature fuel cell applicationcitations
- 2018Investigation of the relationship between morphology and permeability for open-cell foams using virtual materials testingcitations
- 2018Dual ionic conductive membrane for molten carbonate fuel cellcitations
- 2018Temperature influence on six layers samaria doped ceria matrix impregnated by lithium/potassium electrolyte for Molten Carbonate Fuel Cellscitations
- 2018Microstructure design of electrodes for high temperature fuel cell applications
- 2018Improving a Molten Carbonate Fuel Cell Matrix Strength By Fiber Reinforcing
- 2017Copper-Carbon Nanoforms Composites – Processing, Microstructure and Thermal Propertiescitations
- 2017Development of Molten Carbonate Fuel Cells at Warsaw University of Technologycitations
- 2017Status report on high temperature fuel cells in Poland – Recent advances and achievementscitations
- 2017Modeling of Size Effects in Diffusion Driven Processes at Nanoscale - Large Atomic and Mesoscale Methodscitations
- 2017Design of Reservoir Recognition Technique Component - Open Porosity in Non-Polarizing Electrodes
- 2017Optimization of the Microstructure of Molten Carbonate Fuel Cell Anodecitations
- 2017Incorporation of the Pore Size Variation to Modeling of the Elastic Behavior of Metallic Open-Cell Foamscitations
- 2016Numerical simulations of epitaxial growth in MOVPE reactor as a tool for aluminum nitride growth optimization
- 2016Design of open-porous materials for high-temperature fuel cells
- 2016Structural and mechanical aspects of multilayer graphene addition in alumina matrix composites–validation of computer simulation model
- 2014Effect of grain size on the melting point of confined thin aluminum filmscitations
- 2010Atomic ordering in nano-layered FePt: Multiscale Monte Carlo simulationcitations
- 2009Description of the homogeneity of material microstructures: using computer-aided analysiscitations
- 2008Atomic ordering in nano-layered L1<inf>0</inf> Ab binaries: Multiscale Monte-Carlo simulations
Places of action
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article
Elastic dipole tensors and relaxation volumes of point defects in concentrated random magnetic Fe-Cr alloys
Abstract
Point defects inbody-centred cubic Fe,Crand concentrated random magnetic Fe-Cr areinvestigated 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. In an alloy, elastic dipole P and relaxation volume Ω tensors 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 Pii decreasing as a function of Cr content. Fe-Fe and Fe-Cr SIA dumbbells are more anisotropic than Cr-Cr dumbbells. We find that fluctuations of elastic dipole tensors of SIA defects are primarily associated with the variable crystallographic orientations of the dumbbells. Statistical properties of tensors P and Ω are analysed using their principal invariants, suggesting that point defects differ significantly in alloys containing below and above 10% at. Cr. The von Mises stresses caused by dumbbells are notably larger than those caused by vacancies. 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.