Design of High-Performance (CrMnFeCoNi)100-xWx High Entropy Alloys: Theory and Experiment

Abstract

In this work, valence electron concentration (VEC), thermodynamic calculation (CALPHAD), and first-principles method were combined to predict the phase formation of (CrMnFeCoNi)_100-xW_x (x = 0-16) HEAs. Based on the predicted results and insight, five (CrMnFeCoNi)_100-xW_x (x = 0, 4, 8, 12, 16) HEAs were prepared by experiment. The phase composition, microstructure, and mechanical properties of the selected five HEAs were studied systematically by experiment. The experimental results on the phase formation agree very well with those of the theoretical prediction. The experimental results show that the yield strength of the (CrMnFeCoNi)_100-xW_x increases by approximately three times with the addition of 16 at.% W content, while the compressive the compressive fracture strain is moderately reduced. By investigating the relationship between the phase fraction of the BCC and the yield strength as a function of W content, we conclude that the formation of the BCC phase is strongly correlated with the improvement in yield strength of (CrMnFeCoNi)_100-xW_x HEAs.