Application of Many-Body Potentials to Noble Metal Alloys
A significant recent development in the field of interatomic potentials has been the introduction of many-body terms which model the effect of the local electronic density. Different schemes of this type1,2,3, although derived from different approaches, yield strikingly similar models in the case of pure metals. In numerous applications many-body potentials have given reasonable results, generally similar to those obtained using pair potentials, but these models also yield good results in simulating vacancies and surfaces; applications for which traditional pair potentials are inadequate.
KeywordsElectronic Structure Calculation Limited Solid Solubility Local Electronic Density Local Relaxation Random Alloy
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