Self-diffusion and impurity diffusion of fcc metals using the five-frequency model and the Embedded Atom Method

J. B. Adams, S. M. Foiles, W. G. Wolfer

Research output: Contribution to journalArticle

242 Scopus citations

Abstract

The activation energies for self-diffusion of transition metals (Au, Ag, Cu, Ni, Pd, Pt) have been calculated with the Embedded Atom Method (EAM); the results agree well with available experimental data for both mono-vacancy and di-vacancy mechanisms. The EAM was also used to calculate activation energies for vacancy migration near dilute impurities. These energies determine the atomic jump frequencies of the classic “five-frequency formula”, which yields the diffusion rates of impurities by a mono-vacancy mechanism. These calculations were found to agree fairly well with experiment and with Neumann and Hirschwald's “Tm” model.

Original languageEnglish (US)
Pages (from-to)102-112
Number of pages11
JournalJournal of Materials Research
Volume4
Issue number1
DOIs
StatePublished - Feb 1989
Externally publishedYes

ASJC Scopus subject areas

  • Materials Science(all)
  • Condensed Matter Physics
  • Mechanics of Materials
  • Mechanical Engineering

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