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.
Keywords
Vacancy defectBinding energyScalingHeliumStacking-fault energyMaterials scienceLattice (music)Pair potentialLattice constantCrystallographic defectAtomic physicsCondensed matter physicsMolecular physicsPhysicsDislocationDiffractionQuantum mechanics
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Publication Info
- Year
- 1979
- Type
- article
- Volume
- 20
- Issue
- 8
- Pages
- 3197-3204
- Citations
- 176
- Access
- Closed
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Cite This
M. I. Baskes,
Carl F. Melius
(1979).
Pair potentials for fcc metals.
Physical review. B, Condensed matter
, 20
(8)
, 3197-3204.
https://doi.org/10.1103/physrevb.20.3197
Identifiers
- DOI
- 10.1103/physrevb.20.3197