The electronic origins of the “rare earth” texture effect in magnesium alloys

Abstract Although magnesium alloys are lightweight, recyclable and relatively cheap, they suffer from poor ductility. This can be improved by the addition of rare earth (RE) elements, and this is now a well-established criterion for wrought alloy design. It is notable that this behavior is largely r...

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Autores principales:	Reza Mahjoub, Nikki Stanford
Formato:	article
Lenguaje:	EN
Publicado:	Nature Portfolio 2021
Materias:	Medicine R Science Q
Acceso en línea:	https://doaj.org/article/59b5572ade6048059a4c5ec8d54b27cf
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spelling	oai:doaj.org-article:59b5572ade6048059a4c5ec8d54b27cf2021-12-02T15:39:59ZThe electronic origins of the “rare earth” texture effect in magnesium alloys10.1038/s41598-021-93703-w2045-2322https://doaj.org/article/59b5572ade6048059a4c5ec8d54b27cf2021-07-01T00:00:00Zhttps://doi.org/10.1038/s41598-021-93703-whttps://doaj.org/toc/2045-2322Abstract Although magnesium alloys are lightweight, recyclable and relatively cheap, they suffer from poor ductility. This can be improved by the addition of rare earth (RE) elements, and this is now a well-established criterion for wrought alloy design. It is notable that this behavior is largely restricted to the lanthanides, but no hypothesis is yet available to explain why other elements do not have the same effect. To answer this question, ab initio simulations of crystallographically complex boundaries have been undertaken to examine the electronic origin of the RE effect. While the electronic structure provided strong bonding between the RE elements and their Mg surroundings, local disruption in atomic arrangement at the grain boundaries was found to modify this effect. This work shows quantifiable changes in electronic structure of solutes resulting from grain boundary crystallography, and is suggested to be a contributing factor to the RE texture effect.Reza MahjoubNikki StanfordNature PortfolioarticleMedicineRScienceQENScientific Reports, Vol 11, Iss 1, Pp 1-9 (2021)
institution	DOAJ
collection	DOAJ
language	EN
topic	Medicine R Science Q
spellingShingle	Medicine R Science Q Reza Mahjoub Nikki Stanford The electronic origins of the “rare earth” texture effect in magnesium alloys
description	Abstract Although magnesium alloys are lightweight, recyclable and relatively cheap, they suffer from poor ductility. This can be improved by the addition of rare earth (RE) elements, and this is now a well-established criterion for wrought alloy design. It is notable that this behavior is largely restricted to the lanthanides, but no hypothesis is yet available to explain why other elements do not have the same effect. To answer this question, ab initio simulations of crystallographically complex boundaries have been undertaken to examine the electronic origin of the RE effect. While the electronic structure provided strong bonding between the RE elements and their Mg surroundings, local disruption in atomic arrangement at the grain boundaries was found to modify this effect. This work shows quantifiable changes in electronic structure of solutes resulting from grain boundary crystallography, and is suggested to be a contributing factor to the RE texture effect.
format	article
author	Reza Mahjoub Nikki Stanford
author_facet	Reza Mahjoub Nikki Stanford
author_sort	Reza Mahjoub
title	The electronic origins of the “rare earth” texture effect in magnesium alloys
title_short	The electronic origins of the “rare earth” texture effect in magnesium alloys
title_full	The electronic origins of the “rare earth” texture effect in magnesium alloys
title_fullStr	The electronic origins of the “rare earth” texture effect in magnesium alloys
title_full_unstemmed	The electronic origins of the “rare earth” texture effect in magnesium alloys
title_sort	electronic origins of the “rare earth” texture effect in magnesium alloys
publisher	Nature Portfolio
publishDate	2021
url	https://doaj.org/article/59b5572ade6048059a4c5ec8d54b27cf
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The electronic origins of the “rare earth” texture effect in magnesium alloys

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