The recently proposed pair-interaction model is applied to study a series of refractory high entropy alloys. The results demonstrate the simplicity, robustness, and high accuracy of this model in predicting the configuration energies of NbMoTaW, NbMoTaWV and NbMoTaWTi. The element-element pair interaction parameters obtained from the linear regression of first-principle data provide a new perspective to understand the strengthening mechanism in HEAs, as revealed by comparing the effects of adding vanadium and titanium. Using the pair-interaction model, an expression for the intrinsic energy fluctuation is derived, which provides guidance on both theoretical modeling and first principles calculation.
@article{arxiv.1907.10223,
title = {Chemical complexity in high entropy alloys: A pair-interaction perspective},
author = {Xianglin Liu and Jiaxin Zhang and Sirui Bi and Yang Wang and G. Malcolm Stocks and Markus Eisenbach},
journal= {arXiv preprint arXiv:1907.10223},
year = {2019}
}