Dresden 2020 – wissenschaftliches Programm
Die DPG-Frühjahrstagung in Dresden musste abgesagt werden! Lesen Sie mehr ...
Bereiche | Tage | Auswahl | Suche | Aktualisierungen | Downloads | Hilfe
MM: Fachverband Metall- und Materialphysik
MM 39: Computational Materials Modelling - Alloys I
MM 39.4: Vortrag
Mittwoch, 18. März 2020, 16:30–16:45, BAR 205
Ab initio study of carbon and nitrogen interstitials in CoCrNi high entropy alloy — •Martin Zelený1, Igor Moravčík1, Martin Friák2, and Ivo Dlouhý1,2 — 1Faculty of Mechanical Engineering, Brno University of Technology, Brno, Czech Republic — 2Institute of Physics of Materials, Czech Academy of Sciences, Brno, Czech Republic
Twinning-induced plasticity of CoCrNi medium entropy alloy (MEA) is responsible for its extraordinary strength-ductility-toughness combination. In present work we used density functional theory to investigate the effect of interstitial nitrogen and carbon atoms on phase stability, stacking-fault energy and magnetic properties. To describe alloys with chemical disorder as MEAs we employed directionally-optimized supercell-based quasirandom structures. We found that both elements stabilize fcc structure with respect to hcp structure which results in lower probability to create a stacking fault. On the other hand, the effect on magnetic properties is negligible.