A computer simulation approach to modell
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Atul Patel; Geoffrey D. Price; Monica J. Mendelssohn
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Article
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1991
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Springer-Verlag
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English
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We use an atomistic model to simulate the structure, lattice dynamics and thermodynamics of silicate minerals. Our approach uses the Born model of a solid, in which the interaction between atoms is described by an interatomic pair potential. We have extended the study of thermodynamics to its very l