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

Published online by Cambridge University Press:  31 January 2011

J. B. Adams,
S. M. Foiles and
W. G. Wolfer
J. B. Adams
Affiliation:
Theoretical Division, Sandia National Laboratories, Livermore, California 94550
S. M. Foiles
Affiliation:
Theoretical Division, Sandia National Laboratories, Livermore, California 94550
W. G. Wolfer
Affiliation:
Theoretical Division, Sandia National Laboratories, Livermore, California 94550
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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.

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Journal of Materials Research , Volume 4 , Issue 1 , February 1989, pp. 102 - 112
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Copyright © Materials Research Society 1989

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