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Application of the embedded-atom method to liquid transition metals
Abstract
The recently developed embedded-atom method (EAM) of Daw and Baskes [Phys. Rev. B 29, 6443 (1984); Phys. Rev. Lett. 50, 1285 (1983)] is applied to the description of liquid transition metals. A particular set of EAM functions fitted to bulk solid properties is then used to compute the static structure factor and theoretical pressure at the experimental zero-pressure density of various liquid transition metals. The results are in good agreement with experimental data, thus supporting the overall validity of the approach. Further, a systematic prescription for the determination of approximate pair potentials, as well as three- or more-body interactions, from the EAM formalism is presented and shown to give results for the pair correlations in good agreement with the full theory. Finally, the numerical values of the EAM functions used in the calculations for Ni, Pd, Pt, Cu, Ag, and Au are given.
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Citations
Cited by
Atomic-level structure and structure–property relationship in metallic glasses
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
Self-citationCalculation of the surface segregation of Ni-Cu alloys with the use of the embedded-atom method
Foiles, S. M. (1985) · Physical Review B · doi:10.1103/physrevb.32.7685 · Cited by 537
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
Beware of density dependent pair potentials
Louis, A. A. (2002) · Journal of Physics: Condensed Matter · doi:10.1088/0953-8984/14/40/311 · Cited by 309
Metadata
- Authors
- Foiles, S. M.
- Venue
- Physical Review B
- Publisher
- American Physical Society (APS)
- Published
- 1985-09-15
- Volume
- 32
- Issue
- 6
- Pages
- 3409-3415
- ISSN
- 0163-1829 (ISSN-L)
- OpenAlex
- W2045610372
- Cited by
- 439
- References
- 0
- FWCI
- 40.17
- Type
- journal article
- Language
- en
- Open access
- closed
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