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Shell-model molecular dynamics simulation of superionic conduction in CaF2

โœ Scribed by Lindan, P J D; Gillan, M J


Book ID
111989198
Publisher
Institute of Physics
Year
1993
Tongue
English
Weight
560 KB
Volume
5
Category
Article
ISSN
0953-8984

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Properties of MgO at high pressures: She
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Shell-model molecular dynamics (MD) simulation has been performed to investigate the melting of the major Earthforming mineral: periclase (MgO), at elevated temperatures and high pressures, based on the thermal instability analysis. The interatomic potential is taken to be the sum of pair-wise addit