Journal of Materials Research


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

J. B. Adamsa1, S. M. Foilesa1 and W. G. Wolfera1

a1 Theoretical Division, Sandia National Laboratories, Livermore, California 94550


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.

(Received July 13 1988)

(Accepted September 15 1988)