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

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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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Change history

  • 22 June 2021

    There is typographical error found in article title, the word “fee” should be “fcc”.

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  1. Theoretical Division, Sandia National Laboratories, California, 94550, Livermore, USA

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

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Adams, J.B., Foiles, S.M. & Wolfer, W.G. Self-diffusion and impurity diffusion of fcc metals using the five-frequency model and the Embedded Atom Method. Journal of Materials Research 4, 102–112 (1989). https://doi.org/10.1557/JMR.1989.0102

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