Change search
ReferencesLink to record
Permanent link

Direct link
Thermal vacancies in random alloys in the single-site mean-field approximation
KTH, School of Industrial Engineering and Management (ITM), Materials Science and Engineering. Materials Center Leoben Forschung GmbH, Austria. (ENHETEN STRUKTURER)
2016 (English)In: Physical Review B. Condensed Matter and Materials Physics, ISSN 1098-0121, E-ISSN 1550-235X, Vol. 93, no 13, 134115Article in journal (Refereed) PublishedText
Abstract [en]

A formalism for the vacancy formation energies in random alloys within the single-site mean-filed approximation, where vacancy-vacancy interaction is neglected, is outlined. It is shown that the alloy configurational entropy can substantially reduce the concentration of vacancies at high temperatures. The energetics of vacancies in random Cu0.5Ni0.5 alloy is considered as a numerical example illustrating the developed formalism. It is shown that the effective formation energy increases with temperature, however, in this particular system it is still below the mean value of the vacancy formation energy, which would correspond to the vacancy formation energy in a homogeneous model of a random alloy, such as given by the coherent potential approximation.

Place, publisher, year, edition, pages
American Physical Society , 2016. Vol. 93, no 13, 134115
National Category
Physical Sciences Materials Engineering
URN: urn:nbn:se:kth:diva-186993DOI: 10.1103/PhysRevB.93.134115ISI: 000374938700002ScopusID: 2-s2.0-84964582906OAI: diva2:930503
Swedish Research Council

Funding Details: ERC.

QC 20160524

Available from: 2016-05-24 Created: 2016-05-16 Last updated: 2016-05-24Bibliographically approved

Open Access in DiVA

No full text

Other links

Publisher's full textScopus

Search in DiVA

By author/editor
Ruban, Andrei V.
By organisation
Materials Science and Engineering
In the same journal
Physical Review B. Condensed Matter and Materials Physics
Physical SciencesMaterials Engineering

Search outside of DiVA

GoogleGoogle Scholar
The number of downloads is the sum of all downloads of full texts. It may include eg previous versions that are now no longer available

Altmetric score

Total: 3 hits
ReferencesLink to record
Permanent link

Direct link