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Structural stability of NiCoFeCrAlx high-entropy alloy from ab initio theory
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2013 (English)In: Physical Review B. Condensed Matter and Materials Physics, ISSN 1098-0121, E-ISSN 1550-235X, Vol. 88, no 8, 085128- p.Article in journal (Refereed) Published
Abstract [en]

First-principles alloy theory predicts that at room temperature the paramagnetic NiCoFeCrAlx high entropy alloys adopt the face centered cubic (fcc) structure for x less than or similar to 0.60 and the body centered cubic (bcc) structure for x greater than or similar to 1.23, with an fcc-bcc duplex region in between the two pure phases. The calculated single- and polycrystal elastic parameters exhibit strong composition and crystal structure dependence. Based on the present theoretical findings, it is concluded that alloys around the equimolar NiCoFeCrAl composition have superior mechanical performance as compared to the single-phase regions.

Place, publisher, year, edition, pages
2013. Vol. 88, no 8, 085128- p.
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Natural Sciences
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URN: urn:nbn:se:uu:diva-208069DOI: 10.1103/PhysRevB.88.085128ISI: 000323712400004OAI: oai:DiVA.org:uu-208069DiVA: diva2:651026
Available from: 2013-09-24 Created: 2013-09-23 Last updated: 2017-12-06Bibliographically approved

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Vitos, Levente

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