[S2] Materials Science and Technology in High-Entropy Alloys VII

[S2.4] First-Principles Study of Ternary Subsystems of FeNiCoCrMn/Pd High Entropy Alloys

*Nguyen-Dung TRAN¹, Chang LIU², Ying CHEN¹ (1. School of Engineering, Tohoku University、2. Institute of Statistical Mathematics)

Keywords:HEA、DFT、ML、FeNiCoCrMn/Pd

First-principles and machine learning were combined to investigate subsystems of FeNiCoCrMn/Pd HEAs. FeNiCo and FeNiPd are the most stable ones, and FeCoNiCrMn/Pd+X stability are predicted by ML.