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Self-diffusion and impurity diffusion of fee metals using the five-frequency model and the Embedded Atom Method
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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Citations
Cited by
The embedded-atom method: a review of theory and applications
Daw, M. S., Foiles, S. M., & Baskes, M. I. (1993) · Materials Science Reports · doi:10.1016/0920-2307(93)90001-u · Cited by 1,644
Self-citationSemiempirical modified embedded-atom potentials for silicon and germanium
Baskes, M. I., Nelson, J. S., & Wright, A. F. (1989) · Physical Review B · doi:10.1103/physrevb.40.6085 · Cited by 485
The energetics and structure of nickel clusters: Size dependence
Cleveland, C. L., & Landman, U. (1991) · The Journal of Chemical Physics · doi:10.1063/1.460169 · Cited by 391
First principles impurity diffusion coefficients
Mantina, M., Wang, Y., Chen, L. Q., Liu, Z. K., & Wolverton, C. (2009) · Acta Materialia · doi:10.1016/j.actamat.2009.05.006 · Cited by 277
On the Mechanisms of Coalescence of Nanodroplets and Sintering of Solid Particles
Samsonov, V. M., Talyzin, I. V., Vasilyev, S. A., & Alymov, M. I. (2020) · Colloid Journal · doi:10.1134/s1061933x20050154 · Cited by 8
Metadata
- Authors
- Adams, J. B., Foiles, S. M., & Wolfer, W. G.
- Venue
- Journal of Materials Research
- Published
- 1989-02
- Volume
- 4
- Issue
- 1
- Pages
- 102-112
- ISSN
- 0884-1616 (ISSN-L)
- 0884-2914
- 2044-5326
- OpenAlex
- W2038318897
- Cited by
- 360
- References
- 0
- FWCI
- 35.15
- Type
- journal article
- Language
- en
- Open access
- closed
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- Adams, J. B., Foiles, S. M., & Wolfer, W. G. (1989). Self-diffusion and impurity diffusion of fee metals using the five-frequency model and the Embedded Atom Method. Journal of Materials Research. https://doi.org/10.1557/jmr.1989.0102
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Contains information from the Semantic Scholar Academic Graph Datasets, made available under the ODC Attribution License (ODC-BY 1.0).
Semantic Scholar’s data is described in: Kinney, R., et al. (2023). The Semantic Scholar Open Data Platform. arXiv:2301.10140.
