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Pair potentials for fcc metals

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149 Scopus citations

Abstract

Long-range pair potentials are presented for the fcc metals Ni, Au, Ag, Pt, Pd, Cu, and Al. Experimental data considered in deriving the potentials include the sublimination energies and stacking-fault energies as well as the lattice parameters, elastic constants, and vacancy-formation and -migration energies. A volume-dependent energy term has been included in the potentials. By scaling the potentials with respect to lattice spacing and a characteristic binding energy, a striking similarity can be seen between the various potentials. These potentials have been used to calculate a variety of point-defect properties including self-interstitial geometries and migration energies. In addition the migration energy of helium and its binding energy to a vacancy have been calculated.

Original languageEnglish
Pages (from-to)3197-3204
Number of pages8
JournalPhysical Review B - Condensed Matter and Materials Physics
Volume20
Issue number8
DOIs
StatePublished - Jan 1 1979
Externally publishedYes

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