Nature Communications (Sep 2021)

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

  • Marco Esters,
  • Corey Oses,
  • David Hicks,
  • Michael J. Mehl,
  • Michal Jahnátek,
  • Mohammad Delower Hossain,
  • Jon-Paul Maria,
  • Donald W. Brenner,
  • Cormac Toher,
  • Stefano Curtarolo

DOI
https://doi.org/10.1038/s41467-021-25979-5
Journal volume & issue
Vol. 12, no. 1
pp. 1 – 11

Abstract

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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.