uu.seUppsala University Publications
Change search
ReferencesLink to record
Permanent link

Direct link
Ab initio study of AlxMoNbTiV high-entropy alloys
Show others and affiliations
2015 (English)In: Journal of Physics: Condensed Matter, ISSN 0953-8984, E-ISSN 1361-648X, Vol. 27, no 7, 075401Article in journal (Refereed) Published
Abstract [en]

The AlxMoNbTiV (x = 0-1.5) high-entropy alloys (HEAs) adopt a single solid-solution phase, having the body centered cubic (bcc) crystal structure. Here we employ the ab initio exact muffin-tin orbitals method in combination with the coherent potential approximation to investigate the equilibrium volume, elastic constants, and polycrystalline elastic moduli of AlxMoNbTiV HEAs. A comparison between the ab initio and experimental equilibrium volumes demonstrates the validity and accuracy of the present approach. Our results indicate that Al addition decreases the thermodynamic stability of the bcc structure with respect to face-centered cubic and hexagonal close packed lattices. For the elastically isotropic Al0.4MoNbTiV HEAs, the valence electron concentration (VEC) is about 4.82, which is slightly different from VEC similar to 4.72 obtained for the isotropic Gum metals and refractory-HEAs.

Place, publisher, year, edition, pages
2015. Vol. 27, no 7, 075401
Keyword [en]
high-entropy alloys, ab initio, equilibrium bulk properties, elastic anisotropy
National Category
Physical Sciences
URN: urn:nbn:se:uu:diva-248185DOI: 10.1088/0953-8984/27/7/075401ISI: 000349604100010PubMedID: 25640032OAI: oai:DiVA.org:uu-248185DiVA: diva2:802324
Available from: 2015-04-12 Created: 2015-03-30 Last updated: 2015-04-12Bibliographically approved

Open Access in DiVA

No full text

Other links

Publisher's full textPubMed

Search in DiVA

By author/editor
Vitos, Levente
By organisation
Materials Theory
In the same journal
Journal of Physics: Condensed Matter
Physical Sciences

Search outside of DiVA

GoogleGoogle Scholar

Altmetric score

Total: 471 hits
ReferencesLink to record
Permanent link

Direct link