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Interatomic Potentials in Ioncovalent Solids

Published online by Cambridge University Press:  28 February 2011

A.N. Cormack and
C.R.A. Catlow
A.N. Cormack
Affiliation:
New York State College of Ceramics, Alfred University, Alfred, NY 14802
C.R.A. Catlow
Affiliation:
Department of Chemistry, University of Keele, Keele, Staffs. ST55BG, UK
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Abstract

The use of interatomic potentials in the simulation of ionocovalent solids is discussed. Some of the problems that may arise in the application of atomistic simulations to these solids are highlighted and some criteria for the validation of interatomic potentials for this class of solids are presented.

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References

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