The DOI matches its Crossref record; 11 of the 11 references it cites were found in a registry or an index.
Calculation of the surface segregation of Ni-Cu alloys with the use of the embedded-atom method
Abstract
The surface composition of Ni-Cu alloys has been calculated as a function of atomic layer, crystal face, and bulk composition at a temperature of 800 K. The results show that the composition varies nonmonotonically near the surface with the surface layer strongly enriched in Cu while the near-surface layers are enriched in Ni. The calculations use the embedded-atom method [M. S. Daw and M. I. Baskes, Phys. Rev. B 29, 6443 (1984)] in conjunction with Monte Carlo computer simulations. The embedding functions and pair interactions needed to describe Ni-Cu alloys are developed and applied to the calculation of bulk energies, lattice constants, and short-range order. The heats of segregation are computed for the dilute limit, and the composition profile is obtained for the (100), (110), and (111) surfaces for a variety of bulk compositions. The results are found to be in accord with experimental data.
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Cites
Daw, M. S., & Baskes, M. I. (1984) · Physical Review B · doi:10.1103/physrevb.29.6443 · Cited by 7,263
Roothaan-Hartree-Fock atomic wavefunctions
Clementi, E., & Roetti, C. (1974) · Atomic Data and Nuclear Data Tables · doi:10.1016/s0092-640x(74)80016-1 · Cited by 5,526
Selected values of the thermodynamic properties of binary alloys
Hultgren, R., Desai, P. D., Hawkins, D. T., Gleiser, M., & Kelley, K. K. (1973) · CERN Document Server (European Organization for Nuclear Research) · Cited by 3,316
Semiempirical, Quantum Mechanical Calculation of Hydrogen Embrittlement in Metals
Daw, M. S., & Baskes, M. I. (1983) · Physical Review Letters · doi:10.1103/physrevlett.50.1285 · Cited by 2,712
Surface free energies of solid metals: Estimation from liquid surface tension measurements
Tyson, W. R., & Miller, W. A. (1977) · Surface Science · doi:10.1016/0039-6028(77)90442-3 · Cited by 1,989
Universal features of the equation of state of metals
Rose, J. H., Smith, J. R., Guinea, F., & Ferrante, J. (1984) · Physical Review B · doi:10.1103/physrevb.29.2963 · Cited by 1,466
An Approximate Theory of Order in Alloys
Cowley, J. M. (1950) · Physical Review · doi:10.1103/physrev.77.669 · Cited by 1,309
Binary alloy surface compositions from bulk alloy thermodynamic data
Williams, F. L., & Nason, D. (1974) · Surface Science · doi:10.1016/0039-6028(74)90177-0 · Cited by 615
Surface composition of binary systems. Prediction of surface phase diagrams of solid solutions
Overbury, S. H., Bertrand, P. A., & Somorjai, G. A. (1975) · Chemical Reviews · doi:10.1021/cr60297a001 · Cited by 570
Application of the embedded-atom method to liquid transition metals
Foiles, S. M. (1985) · Physical Review B · doi:10.1103/physrevb.32.3409 · Cited by 439
Self-citation
Cited by
Nanoalloys: From Theory to Applications of Alloy Clusters and Nanoparticles
Ferrando, R., Jellinek, J., & Johnston, R. L. (2008) · Chemical Reviews · doi:10.1021/cr040090g · Cited by 3,690
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
Atomistic and continuum modeling of dendritic solidification
Hoyt, J. (2003) · Materials Science and Engineering: R: Reports · doi:10.1016/s0927-796x(03)00036-6 · Cited by 438
Thermodynamics and structural aspects of grain boundary segregation
Lejček, P., & Hofmann, S. (1995) · Critical Reviews in Solid State and Materials Sciences · doi:10.1080/10408439508243544 · Cited by 274
Metadata
- Authors
- Foiles, S. M.
- Venue
- Physical Review B
- Publisher
- American Physical Society (APS)
- Published
- 1985-12-15
- Volume
- 32
- Issue
- 12
- Pages
- 7685-7693
- ISSN
- 0163-1829 (ISSN-L)
- OpenAlex
- W2028204093
- Cited by
- 537
- References
- 11
- FWCI
- 47.10
- Type
- journal article
- Language
- en
- Open access
- closed
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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.
