Properties of selected metals and alloys

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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

Pure Silicon

Temperatures (K)
melting 1683
boiling 2628
critical 5159
Debye 647
superconduction 7.5
m.p. hydride 88.15
b.p. hydride 161.35
m.p. fluoride 182.95

Elastic Constants
(Mbar)0C -195.8C
C11 1.658 1.686
C12 0.639 0.650
C44 0.796 0.804
source: McSkimin HJ, J Appl Phys, 35 (7) 2161-2165 (1964)

Miscellaneous
Propertyvalue
a0 5.451 ang (0K)
Ecohesive 4.63 (ev/atom) (0K)
source: Yin MT, Phys Rev B 26 (10) 5668-5687 (1982)

Silicon-Carbon (50-50)

Property Theory Experiment
a0 (ang) 4.32 4.36
B (Mbar) 2.2 2.2
C11 (Mbar) 4.2 3.6
C12 (Mbar) 1.2 1.5
C44 (Mbar) 2.6 1.5
Elastic Constants
source: J. Tersoff, Phys Rev B 39 (8) 5566 (1989)