Segregation and migration of species in the CrCoFeNi high entropy alloy

Middleburgh, SC; King, DM; Lumpkin, GR; Cortie, M; Edwards, L

Segregation and migration of species in the CrCoFeNi high entropy alloy

Middleburgh, SC King, DM Lumpkin, GR Cortie, M

Edwards, L

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Publication Type:: Journal Article
Citation:: Journal of Alloys and Compounds, 2014, 599 pp. 179 - 182
Issue Date:: 2014-06-25

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Field	Value	Language
dc.contributor.author	Middleburgh, SC	en_US
dc.contributor.author	King, DM	en_US
dc.contributor.author	Lumpkin, GR	en_US
dc.contributor.author	Cortie, M https://orcid.org/0000-0003-3202-6398	en_US
dc.contributor.author	Edwards, L	en_US
dc.date.issued	2014-06-25	en_US
dc.identifier.citation	Journal of Alloys and Compounds, 2014, 599 pp. 179 - 182	en_US
dc.identifier.issn	0925-8388	en_US
dc.identifier.uri	http://hdl.handle.net/10453/41219
dc.description.abstract	The formation and migration of intrinsic defects in the CrCoFeNi high entropy alloy has been investigated using ab-initio modeling. The ease of vacancy formation was found to vary depending on the element: vacancies formed by the removal of Fe, Ni and Co are positive while Cr has a negative vacancy formation energy and will precipitate out of the CrCoFeNi alloy. This mechanism may allow the formation of a corrosion passivating oxide layer, analogous to Cr behaviour in stainless steels. The migration and behaviour of intrinsic interstitial defects has also been investigated. © 2014 Published by Elsevier B.V. All rights reserved.	en_US
dc.relation.ispartof	Journal of Alloys and Compounds	en_US
dc.relation.isbasedon	10.1016/j.jallcom.2014.01.135	en_US
dc.subject.classification	Materials	en_US
dc.title	Segregation and migration of species in the CrCoFeNi high entropy alloy	en_US
dc.type	Journal Article
utslib.citation.volume	599	en_US
utslib.for	0204 Condensed Matter Physics	en_US
utslib.for	0912 Materials Engineering	en_US
utslib.for	0914 Resources Engineering and Extractive Metallurgy	en_US
pubs.embargo.period	Not known	en_US
pubs.organisational-group	/University of Technology Sydney
pubs.organisational-group	/University of Technology Sydney/Faculty of Science
pubs.organisational-group	/University of Technology Sydney/Faculty of Science/School of Mathematical and Physical Sciences
pubs.organisational-group	/University of Technology Sydney/Students
utslib.copyright.status	closed_access
pubs.publication-status	Published	en_US
pubs.volume	599	en_US

Abstract:

The formation and migration of intrinsic defects in the CrCoFeNi high entropy alloy has been investigated using ab-initio modeling. The ease of vacancy formation was found to vary depending on the element: vacancies formed by the removal of Fe, Ni and Co are positive while Cr has a negative vacancy formation energy and will precipitate out of the CrCoFeNi alloy. This mechanism may allow the formation of a corrosion passivating oxide layer, analogous to Cr behaviour in stainless steels. The migration and behaviour of intrinsic interstitial defects has also been investigated. © 2014 Published by Elsevier B.V. All rights reserved.

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http://hdl.handle.net/10453/41219