Atomic-scale structural signature of dynamic heterogeneities in metallic liquids

Metallic liquids: Connection between liquid structure and liquid dynamics Simulations show a strong connection between the atomic-scale structure and dynamics in metallic liquids. When a material is cooled rapidly it can avoid crystallization, forming a metastable undercooled state. Such systems exh...

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Autores principales:	Alain Pasturel, Noel Jakse
Formato:	article
Lenguaje:	EN
Publicado:	Nature Portfolio 2017
Materias:	Materials of engineering and construction. Mechanics of materials TA401-492 Computer software QA76.75-76.765
Acceso en línea:	https://doaj.org/article/6aaeba4f67af423592da44431e275245
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spelling	oai:doaj.org-article:6aaeba4f67af423592da44431e2752452021-12-02T16:19:45ZAtomic-scale structural signature of dynamic heterogeneities in metallic liquids10.1038/s41524-017-0034-y2057-3960https://doaj.org/article/6aaeba4f67af423592da44431e2752452017-08-01T00:00:00Zhttps://doi.org/10.1038/s41524-017-0034-yhttps://doaj.org/toc/2057-3960Metallic liquids: Connection between liquid structure and liquid dynamics Simulations show a strong connection between the atomic-scale structure and dynamics in metallic liquids. When a material is cooled rapidly it can avoid crystallization, forming a metastable undercooled state. Such systems exhibit a range of interesting dynamic phenomena but it is experimentally difficult to look at the interplay between the liquid structure and liquid dynamics. Using ab initio molecular dynamic simulations, Alain Pasturel and Noel Jakse from the University Grenoble Alpes show that in chromium-doped aluminum-based liquids there is a strong decoupling of the chromium diffusions from the aluminum diffusion. This is closely related to the emergence of dynamic heterogeneities, as both effects have a structural origin. These insights provide a close connection between structure and liquid dynamics and could lead to more elaborate experimental studies.Alain PasturelNoel JakseNature PortfolioarticleMaterials of engineering and construction. Mechanics of materialsTA401-492Computer softwareQA76.75-76.765ENnpj Computational Materials, Vol 3, Iss 1, Pp 1-10 (2017)
institution	DOAJ
collection	DOAJ
language	EN
topic	Materials of engineering and construction. Mechanics of materials TA401-492 Computer software QA76.75-76.765
spellingShingle	Materials of engineering and construction. Mechanics of materials TA401-492 Computer software QA76.75-76.765 Alain Pasturel Noel Jakse Atomic-scale structural signature of dynamic heterogeneities in metallic liquids
description	Metallic liquids: Connection between liquid structure and liquid dynamics Simulations show a strong connection between the atomic-scale structure and dynamics in metallic liquids. When a material is cooled rapidly it can avoid crystallization, forming a metastable undercooled state. Such systems exhibit a range of interesting dynamic phenomena but it is experimentally difficult to look at the interplay between the liquid structure and liquid dynamics. Using ab initio molecular dynamic simulations, Alain Pasturel and Noel Jakse from the University Grenoble Alpes show that in chromium-doped aluminum-based liquids there is a strong decoupling of the chromium diffusions from the aluminum diffusion. This is closely related to the emergence of dynamic heterogeneities, as both effects have a structural origin. These insights provide a close connection between structure and liquid dynamics and could lead to more elaborate experimental studies.
format	article
author	Alain Pasturel Noel Jakse
author_facet	Alain Pasturel Noel Jakse
author_sort	Alain Pasturel
title	Atomic-scale structural signature of dynamic heterogeneities in metallic liquids
title_short	Atomic-scale structural signature of dynamic heterogeneities in metallic liquids
title_full	Atomic-scale structural signature of dynamic heterogeneities in metallic liquids
title_fullStr	Atomic-scale structural signature of dynamic heterogeneities in metallic liquids
title_full_unstemmed	Atomic-scale structural signature of dynamic heterogeneities in metallic liquids
title_sort	atomic-scale structural signature of dynamic heterogeneities in metallic liquids
publisher	Nature Portfolio
publishDate	2017
url	https://doaj.org/article/6aaeba4f67af423592da44431e275245
work_keys_str_mv	AT alainpasturel atomicscalestructuralsignatureofdynamicheterogeneitiesinmetallicliquids AT noeljakse atomicscalestructuralsignatureofdynamicheterogeneitiesinmetallicliquids
_version_	1718384173324959744

Atomic-scale structural signature of dynamic heterogeneities in metallic liquids

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