[S1] S1.Materials Science and Technology in High-Entropy Alloys (VIII)(3)

[S1.48] DFT Calculations of FeNiCoMn and FeNiCrMn quaternaries and Pd-sub-Mn Effects

*Nguyen-Dung TRAN¹, Theresa DAVEY¹, Ying CHEN¹ (1. Tohoku Univ.)

Keywords:HEA、DFT、Thermodynamics、FeNiCoMn/Pd and FeNiCrMn/Pd

FeNiCoMn/Pd and FeNiCrMn/Pd quaternaries have been investigated by DFT combined with quasihamonic Debye-Gruneisen approximation. Thermodynamic properties and phase stability are reported.