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Long-ranged interactions in bcc NbMoTaW high-entropy alloys
KTH, Superseded Departments, Materials Science and Engineering.
2016 (English)In: Materials Research Letters, ISSN 2166-3831, 1-6 p.Article in journal (Refereed) Published
Abstract [en]

We reveal that in a prototypical bcc high-entropy alloy NbMoTaW chemical interactions are long ranged and highly frustrated. We show that this is the reason that bcc solid solutions in NbMoTaW can persist to low temperatures. The ab initio-computed long-ranged interactions strongly impact characteristic thermodynamic properties and ordering temperatures. This highlights the genuine importance of taking long-ranged chemical interactions into account for accurate theoretical predictions of high-entropy alloy properties.

Place, publisher, year, edition, pages
2016. 1-6 p.
Keyword [en]
ab initio, ordering temperatures, Refractory high-entropy alloys
National Category
Condensed Matter Physics
Identifiers
URN: urn:nbn:se:kth:diva-197169DOI: 10.1080/21663831.2016.1198837ScopusID: 2-s2.0-84981722624OAI: oai:DiVA.org:kth-197169DiVA: diva2:1055767
Note

QC 20161213

Available from: 2016-12-13 Created: 2016-11-30 Last updated: 2016-12-13Bibliographically approved

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Ruban, Andrei V.
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