On normal and anomalous self-diffusion in body-centred cubic metals: A computer simulation study

A. G. Mikhin, Yu N. Osetsky

Research output: Contribution to journalArticlepeer-review

19 Scopus citations

Abstract

A computer simulation study of the lattice dynamics and vacancy migration of BCC Fe and in BCC Zr is presented. The results obtained are in good agreement with experiments. Special attention is paid to the temperature behaviour of the Tl 1/2 (110) phonon mode. This mode in Zr is shown to be related to the beta -to- alpha phase transformation as well as to the curvature of the Arrhenius plot. A phonon-enhanced mechanism with a temperature-dependent vacancy migration enthalpy is proposed as an explanation of 'anomalous' self-diffusion in BCC metals.

Original languageEnglish
Article number014
Pages (from-to)9121-9130
Number of pages10
JournalJournal of Physics Condensed Matter
Volume5
Issue number49
DOIs
StatePublished - 1993
Externally publishedYes

Fingerprint

Dive into the research topics of 'On normal and anomalous self-diffusion in body-centred cubic metals: A computer simulation study'. Together they form a unique fingerprint.

Cite this