A first-principles phase field method for quantitatively predicting multi-composition phase separation without thermodynamic empirical parameter

Predicting alloy microstructures with parameter-free theoretical schemes remains a challenge. Here the authors derive a general phase field approach to reproduce the microstructural evolution of a nickel-aluminum alloy as a function of composition only and without empirical thermodynamic parameters....

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Autores principales:	Swastibrata Bhattacharyya, Ryoji Sahara, Kaoru Ohno
Formato:	article
Lenguaje:	EN
Publicado:	Nature Portfolio 2019
Materias:	Science Q
Acceso en línea:	https://doaj.org/article/5392a4b1b2ec4b8986d9d1897b0d8912
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spelling	oai:doaj.org-article:5392a4b1b2ec4b8986d9d1897b0d89122021-12-02T15:36:21ZA first-principles phase field method for quantitatively predicting multi-composition phase separation without thermodynamic empirical parameter10.1038/s41467-019-11248-z2041-1723https://doaj.org/article/5392a4b1b2ec4b8986d9d1897b0d89122019-08-01T00:00:00Zhttps://doi.org/10.1038/s41467-019-11248-zhttps://doaj.org/toc/2041-1723Predicting alloy microstructures with parameter-free theoretical schemes remains a challenge. Here the authors derive a general phase field approach to reproduce the microstructural evolution of a nickel-aluminum alloy as a function of composition only and without empirical thermodynamic parameters.Swastibrata BhattacharyyaRyoji SaharaKaoru OhnoNature PortfolioarticleScienceQENNature Communications, Vol 10, Iss 1, Pp 1-10 (2019)
institution	DOAJ
collection	DOAJ
language	EN
topic	Science Q
spellingShingle	Science Q Swastibrata Bhattacharyya Ryoji Sahara Kaoru Ohno A first-principles phase field method for quantitatively predicting multi-composition phase separation without thermodynamic empirical parameter
description	Predicting alloy microstructures with parameter-free theoretical schemes remains a challenge. Here the authors derive a general phase field approach to reproduce the microstructural evolution of a nickel-aluminum alloy as a function of composition only and without empirical thermodynamic parameters.
format	article
author	Swastibrata Bhattacharyya Ryoji Sahara Kaoru Ohno
author_facet	Swastibrata Bhattacharyya Ryoji Sahara Kaoru Ohno
author_sort	Swastibrata Bhattacharyya
title	A first-principles phase field method for quantitatively predicting multi-composition phase separation without thermodynamic empirical parameter
title_short	A first-principles phase field method for quantitatively predicting multi-composition phase separation without thermodynamic empirical parameter
title_full	A first-principles phase field method for quantitatively predicting multi-composition phase separation without thermodynamic empirical parameter
title_fullStr	A first-principles phase field method for quantitatively predicting multi-composition phase separation without thermodynamic empirical parameter
title_full_unstemmed	A first-principles phase field method for quantitatively predicting multi-composition phase separation without thermodynamic empirical parameter
title_sort	first-principles phase field method for quantitatively predicting multi-composition phase separation without thermodynamic empirical parameter
publisher	Nature Portfolio
publishDate	2019
url	https://doaj.org/article/5392a4b1b2ec4b8986d9d1897b0d8912
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A first-principles phase field method for quantitatively predicting multi-composition phase separation without thermodynamic empirical parameter

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