Abstract
The Embedded Atom Model (EAM) was utilized to analyze the energy and strain surrounding Au and Pt atoms substituted into a Ni crystal. Au substituted into Ni has a large positive size difference and a positive heat of mixing; Pt substituted into Ni has a large positive size difference and a negative heat of mixing. The EAM predicted highly anisotropic strain fields around the substitutional atom with large positive strains in the [110] direction and small or negative strains in the [100] and [111] directions. This is in contrast to the normal assumption that the strain around a substitution atom is spherically symmetric. The cohesive energy of the atoms around the substitutional atom was found to depend upon the crystallographic direction relative to the substitutional atom in addition to the radial distance from the substitutional atom. The EAM predicted an energy increase for Au substituted into Ni and an energy decrease for Pt substituted into Ni. The EAM results were compared with an elastic analysis.
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