Full-potential calculations of the temperature dependence of self-diffusion coefficients: Application to Cs

D. Fuks, J. Pelleg, S. Dorfman, S. Rashkeev

Research output: Chapter in Book/Report/Conference proceedingConference contributionpeer-review

1 Scopus citations

Abstract

The change in slope of the Arrhenius curve for the diffusion coefficient as a function of temperature is discussed and its occurrence is explained by vacancies concentration dependence of the formation energy. It is shown that a sign of the mixing energy parameter of the regular solid solution of vacancies in pure metals is closely connected with the sign of the curvature of the diffusion plot. For the analysis of this plot as well as for the estimation of other parameters of self diffusion of bcc Cs we used the total energy calculations based on the Full Potential LMTO method.

Original languageEnglish
Title of host publicationJournal De Physique
PublisherPubl by Editions de Physique
Pages549-552
Number of pages4
Edition7 pt 1
ISBN (Print)2868832016, 9782868832016
DOIs
StatePublished - 1 Jan 1993
EventProceedings of the 3rd European Conference on Advanced Materials and Processes. Part 1 (of 3) - Paris, Fr
Duration: 8 Jun 199310 Jun 1993

Publication series

NameJournal De Physique
Number7 pt 1
Volume3
ISSN (Print)1155-4339

Conference

ConferenceProceedings of the 3rd European Conference on Advanced Materials and Processes. Part 1 (of 3)
CityParis, Fr
Period8/06/9310/06/93

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