Settling the matter of the role of vibrations in the stability of high-entropy carbides

The contribution of vibrations to the stability of high-entropy ceramics is still controversial. Here the authors computationally integrate disorder parameterization, phonon modelling, and thermodynamic characterization to investigate the role of vibrations to the stability of high-entropy carbides.

Bibliographic Details
Main Authors: Marco Esters, Corey Oses, David Hicks, Michael J. Mehl, Michal Jahnátek, Mohammad Delower Hossain, Jon-Paul Maria, Donald W. Brenner, Cormac Toher, Stefano Curtarolo
Format: Article
Language:English
Published: Nature Publishing Group 2021-09-01
Series:Nature Communications
Online Access:https://doi.org/10.1038/s41467-021-25979-5