Correlation between mechanical properties and valence electron concentration for NbTiZrM (M = Hf, Ta, W) refractory high entropy alloys: an ab initio study

On basis of systematical ab initio study of mechanical properties of body-centered cubic NbTiZrM (M = Hf, Ta, W) refractory high entropy alloys, the correlation between mechanical properties and valence electron concentration (VEC) is appreciably revealed. The present investigation demonstrates that both the single-crystal elastic parameters and the elastic moduli of NbTiZrM alloys increase for M from Hf to W, similar to the variation trend of...