Properties of selected metals and alloys Models.

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Properties of Voter-Chen Ni-Al potential

PROPERTYNi
Cohesive Energy (1e-12 erg) 7.137
Surface Energy [100] (erg/cm2)
Surface Energy [111] (erg/cm2) 1627
Surface Energy [1-10] (erg/cm2) 1981
Surface Energy [11-2] (erg/cm2) 1913



PROPERTYB2 NiAl
Cohesive Energy(1e-12 erg) 7.023525227
Lattice Constant (angs) 2.871

Stillinger-Weber Silicon

Energy per atom 6.945e-12 ergs
Lattice Constant 5.428 Angs
Bulk Modulus 1.02 Mbar

Tersoff Silicon
Energy per atom 7.417e-12 ergs
Lattice Constant 5.428 Angs
Bulk Modulus 0.99 Mbar

Tersoff Carbon-Silicon
Properties for Diamond Cubic SiC
(Dec 15, 1998)
Energy per atom 9.91165e-12 ergs
Lattice Constant 4.318283 Angs
Bulk Modulus 2.25 Mbar