Predicting the Crystal Structure and Phase Transitions in High-Entropy Alloys

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

Predicting the Crystal Structure and Phase Transitions in High-Entropy Alloys

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

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Publication Type:: Journal Article
Citation:: JOM, 2015, 67 (10), pp. 2375 - 2380
Issue Date:: 2015-10-23

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Field	Value	Language
dc.contributor.author	King, DM	en_US
dc.contributor.author	Middleburgh, SC	en_US
dc.contributor.author	Edwards, L	en_US
dc.contributor.author	Lumpkin, GR	en_US
dc.contributor.author	Cortie, M https://orcid.org/0000-0003-3202-6398	en_US
dc.date.issued	2015-10-23	en_US
dc.identifier.citation	JOM, 2015, 67 (10), pp. 2375 - 2380	en_US
dc.identifier.issn	1047-4838	en_US
dc.identifier.uri	http://hdl.handle.net/10453/41212
dc.description.abstract	© 2015, Her Majesty the Queen in Right of Australia. High-entropy alloys (HEAs) have advantageous properties compared with other systems as a result of their chemistry and crystal structure. The transition between a face-centered cubic (FCC) and body-centered cubic (BCC) structure in the AlxCoCrFeNi high-entropy alloy system has been investigated on the atomic scale in this work. The AlxCoCrFeNi system, as well as being a useful system itself, can also be considered a model HEA material. Ordering in the FCC structure was investigated, and an order–disorder transition was predicted at ~600 K. It was found that, at low temperatures, an ordered lattice is favored over a truly random lattice. The fully disordered BCC structure was found to be unstable. When partial ordering was imposed (lowering the symmetry), with Al and Ni limited specific sites of the BCC system, the BCC packing was stabilized. Decomposition of the ordered BCC single phase into a dual phase (Al-Ni rich and Fe-Cr rich) is also considered.	en_US
dc.relation.ispartof	JOM	en_US
dc.relation.isbasedon	10.1007/s11837-015-1495-4	en_US
dc.subject.classification	Materials	en_US
dc.title	Predicting the Crystal Structure and Phase Transitions in High-Entropy Alloys	en_US
dc.type	Journal Article
utslib.citation.volume	10	en_US
utslib.citation.volume	67	en_US
utslib.for	0912 Materials Engineering	en_US
utslib.for	0914 Resources Engineering and Extractive Metallurgy	en_US
utslib.for	0913 Mechanical Engineering	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	open_access
pubs.issue	10	en_US
pubs.publication-status	Published	en_US
pubs.volume	67	en_US

Abstract:

© 2015, Her Majesty the Queen in Right of Australia. High-entropy alloys (HEAs) have advantageous properties compared with other systems as a result of their chemistry and crystal structure. The transition between a face-centered cubic (FCC) and body-centered cubic (BCC) structure in the AlxCoCrFeNi high-entropy alloy system has been investigated on the atomic scale in this work. The AlxCoCrFeNi system, as well as being a useful system itself, can also be considered a model HEA material. Ordering in the FCC structure was investigated, and an order–disorder transition was predicted at ~600 K. It was found that, at low temperatures, an ordered lattice is favored over a truly random lattice. The fully disordered BCC structure was found to be unstable. When partial ordering was imposed (lowering the symmetry), with Al and Ni limited specific sites of the BCC system, the BCC packing was stabilized. Decomposition of the ordered BCC single phase into a dual phase (Al-Ni rich and Fe-Cr rich) is also considered.

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http://hdl.handle.net/10453/41212