|About this Abstract
||2020 TMS Annual Meeting & Exhibition
||High Entropy Alloys VIII
||J-121: Phase Stability and Defect Properties of fcc FeCrMnNi HEAs
||Mark Fedorov, Jan Wróbel, Antonio Fernández-Caballero, Krzysztof Kurzydłowski, Duc Nguyen-Manh
|On-Site Speaker (Planned)
Multi-component alloy Fe-Cr-Mn-Ni is a promising candidate system for application as structural material beyond conventional austenitic steels, especially in irradiation conditions. We have developed the Cluster Expansion model for the Fe-Cr-Mn-Ni system based on DFT calculations and performed subsequent Monte Carlo simulations to study the concentration dependence of phase stability at 0K and finite temperatures. Order-disorder transition temperatures for the majority of compositions correlate with the percent of L10-MnNi phase, which is the most stable at 0K in this system. Stabilizing effect of configurational entropy is prominent in the intermediate temperature region, where order-disorder transition occurs. Difference in magneto-volume relation in FeCrNi and FeCrMnNi hints on the difference in the behavior under irradiation. Interstitial and vacancy migration properties have been studied using NEB calculations in equiatomic and Fe27Cr18Mn27Ni28 compositions and analyzed as the function of the diffusing element, nearest neighbourhood and the level of short range order in the system.
||Planned: Supplemental Proceedings volume; Planned: Supplemental Proceedings volume