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.

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Autores principales:	Marco Esters, Corey Oses, David Hicks, Michael J. Mehl, Michal Jahnátek, Mohammad Delower Hossain, Jon-Paul Maria, Donald W. Brenner, Cormac Toher, Stefano Curtarolo
Formato:	article
Lenguaje:	EN
Publicado:	Nature Portfolio 2021
Materias:	Science Q
Acceso en línea:	https://doaj.org/article/0f18d94ef8594c62b33c768d2dda03f9
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spelling	oai:doaj.org-article:0f18d94ef8594c62b33c768d2dda03f92021-12-02T17:18:32ZSettling the matter of the role of vibrations in the stability of high-entropy carbides10.1038/s41467-021-25979-52041-1723https://doaj.org/article/0f18d94ef8594c62b33c768d2dda03f92021-09-01T00:00:00Zhttps://doi.org/10.1038/s41467-021-25979-5https://doaj.org/toc/2041-1723The 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.Marco EstersCorey OsesDavid HicksMichael J. MehlMichal JahnátekMohammad Delower HossainJon-Paul MariaDonald W. BrennerCormac ToherStefano CurtaroloNature PortfolioarticleScienceQENNature Communications, Vol 12, Iss 1, Pp 1-11 (2021)
institution	DOAJ
collection	DOAJ
language	EN
topic	Science Q
spellingShingle	Science Q Marco Esters Corey Oses David Hicks Michael J. Mehl Michal Jahnátek Mohammad Delower Hossain Jon-Paul Maria Donald W. Brenner Cormac Toher Stefano Curtarolo Settling the matter of the role of vibrations in the stability of high-entropy carbides
description	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.
format	article
author	Marco Esters Corey Oses David Hicks Michael J. Mehl Michal Jahnátek Mohammad Delower Hossain Jon-Paul Maria Donald W. Brenner Cormac Toher Stefano Curtarolo
author_facet	Marco Esters Corey Oses David Hicks Michael J. Mehl Michal Jahnátek Mohammad Delower Hossain Jon-Paul Maria Donald W. Brenner Cormac Toher Stefano Curtarolo
author_sort	Marco Esters
title	Settling the matter of the role of vibrations in the stability of high-entropy carbides
title_short	Settling the matter of the role of vibrations in the stability of high-entropy carbides
title_full	Settling the matter of the role of vibrations in the stability of high-entropy carbides
title_fullStr	Settling the matter of the role of vibrations in the stability of high-entropy carbides
title_full_unstemmed	Settling the matter of the role of vibrations in the stability of high-entropy carbides
title_sort	settling the matter of the role of vibrations in the stability of high-entropy carbides
publisher	Nature Portfolio
publishDate	2021
url	https://doaj.org/article/0f18d94ef8594c62b33c768d2dda03f9
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Settling the matter of the role of vibrations in the stability of high-entropy carbides

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