SELF-DIFFUSION AND IMPURITY DIFFUSION OF FCC METALS USING THE 5-FREQUENCY MODEL AND THE EMBEDDED ATOM METHOD

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 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 impurites by a mono-vacancy mechanism. These calculations agree fairly well with experiment and with Neumann and Hirschwald's Tm model.