Publication - Journal Article Chemical short-range order in derivative Cr–Ta–Ti–V–W high entropy alloys from the first-principles thermodynamic study

https://doi.org/10.1039/d0cp03764h
Journal Article
Physical Chemistry Chemical Physics, vol. 22, iss. 41, pp. 23929-23951, 2020
Authors
Damian Sobieraj, Jan S. Wróbel, Tomasz Rygier, Krzysztof J. Kurzydłowski, Osman El Atwani, Arun Devaraj, Enrique Martinez Saez, Duc Nguyen-Manh
Abstract

Density Functional Theory (DFT), Cluster Expansion and Monte Carlo simulations have been carried out to investigate the short-range ordering in high-entropy alloys in Cr–Ta–Ti–V–W system as a function of temperature and composition.

English