Evidence for vacancy mechanism in grain boundary diffusion in bcc iron: A molecular-dynamics study

Thomas Kwok*, P. S. Ho, Sidney Yip, R. W. Balluffi, P. D. Bristowe, A. Brokman

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

53 Scopus citations

Abstract

The dominance of vacancy migration in grain boundary self-diffusion has been established by molecular-dynamics simulation of a bcc iron =5 tilt boundary. The data yielded a reasonable value of the activation energy for migration and showed that the jump processes are highly structure dependent. The use of a temperature-dependent transition-probability matrix to describe the diffusion of the vacancies in the grain boundary is suggested. Formation of one type of boundary interstitial was observed, and the interstitial was found to be immobile during its lifetime.

Original languageEnglish
Pages (from-to)1148-1151
Number of pages4
JournalPhysical Review Letters
Volume47
Issue number16
DOIs
StatePublished - 1981
Externally publishedYes

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