The modified embedded atom method is tested in the atomistic simulations of binary fcc metallic alloys. As an example the alloying behaviour of Cu-Ag is studied using the molecular dynamics (MD) method. The MD algorithms that we use are based on the extended Hamiltonian formalism and the ordinary ex
A new form of the Sutton–Chen potential for the Cu–Ag alloys
✍ Scribed by H. Feraoun; C. Esling; L. Dembinski; T. Grosdidier; C. Coddet; H. Aourag
- Publisher
- Elsevier Science
- Year
- 2002
- Tongue
- English
- Weight
- 263 KB
- Volume
- 31
- Category
- Article
- ISSN
- 0749-6036
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✦ Synopsis
The analytic construction of a many-body potential inspired from the Sutton-Chen parametrization is presented for copper and silver. A new approach is used to model the cross interaction for the Cu-Ag alloys. The parameters are fitted to first principles calculations based on the full potential linear plane wave method. The structural properties of the order and disorder Cu-Ag alloys in the B 2 and fcc structures are presented for different concentration.
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