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Embedded-atom-method functions for the fcc metals Cu, Ag, Au, Ni, Pd, Pt, and their alloys
Abstract
A consistent set of embedding functions and pair interactions for use with the embedded-atom method [M.S. Daw and M. I. Baskes, Phys. Rev. B 29, 6443 (1984)] have been determined empirically to describe the fcc metals Cu, Ag, Au, Ni, Pd, and Pt as well as alloys containing these metals. The functions are determined empirically by fitting to the sublimation energy, equilibrium lattice constant, elastic constants, and vacancy-formation energies of the pure metals and the heats of solution of the binary alloys. The validity of the functions is tested by computing a wide range of properties: the formation volume and migration energy of vacancies, the formation energy, formation volume, and migration energy of divacancies and self-interstitials, the surface energy and geometries of the low-index surfaces of the pure metals, and the segregation energy of substitutional impurities to (100) surfaces.
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Citations
Cited by
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Cheng, Y. Q., & Ma, E. (2011) · Progress in Materials Science · doi:10.1016/j.pmatsci.2010.12.002 · Cited by 1,771
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
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Metadata
- Authors
- Foiles, S. M., Baskes, M. I., & Daw, M. S.
- Venue
- Physical Review B
- Publisher
- American Physical Society (APS)
- Published
- 1986-06-15
- Volume
- 33
- Issue
- 12
- Pages
- 7983-7991
- ISSN
- 0163-1829 (ISSN-L)
- OpenAlex
- W1963989017
- Cited by
- 4,637
- References
- 0
- FWCI
- 61.15
- Type
- journal article
- Language
- en
- Open access
- closed
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- CoChat. (2026). Citation check: Embedded-atom-method functions for the fcc metals Cu, Ag, Au, Ni, Pd, Pt, and their alloys. https://app.cochat.ai/papers/10.1103/physrevb.33.7983
- The paper
- Foiles, S. M., Baskes, M. I., & Daw, M. S. (1986). Embedded-atom-method functions for the fcc metals Cu, Ag, Au, Ni, Pd, Pt, and their alloys. Physical Review B. https://doi.org/10.1103/physrevb.33.7983
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Contains information from the Semantic Scholar Academic Graph Datasets, made available under the ODC Attribution License (ODC-BY 1.0).
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