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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.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 141: Symposium T – Atomic Scale Calculations in Materials Science , 1988 , 65
Copyright
Copyright © Materials Research Society 1989

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References

[1]Catlow, C.R.A. and Mackrodt, W.C., (eds.) “Computer Simulation of Solids”, Lecture Notes in Physics, vol. 166, Springer-Verlag, Berlin, 1982.Google Scholar
[2]Another collection of papers worth reviewing is contained in Physica B131, (1985)Google Scholar
[3]Thomas, J.M. and Catlow, C.R.A. Google Scholar
[4]Catlow, C.R.A. and Cormack, A.N., Int. Rev. in Phys. Chem. 6, 227, (1987)CrossRefGoogle Scholar
[5]Catlow, C.R.A. in “Inorganic Solid Fluorides” (ed. Hagenmuller, P.) Academic Press NY (1987)Google Scholar
[6]Saul, P., Catlow, C.R.A. and Kendrick, J., Philos. Mag. 51, 107 (1985)Google Scholar
[7]Jacobs, P.W.M. and MacDonaill, D.A., Solid State Ionics 23, 295 (1987)Google Scholar
[8]Faux, I.D. and Lidiard, A.B., Z. Naturf. (a) 26, 56 (1971)Google Scholar
[9]Dick, B.G. and Overhauser, A.W., Phys. Rev. 112, 20 (1958)Google Scholar
[10]Mackrodt, W.C. and Stewart, R.F., J. Phys. C: Solid State Physics 10, 1431 (1977); 12, 431 (1979)Google Scholar
[11]Mackrodt, W.C., Stewart, R.F., Campbell, J.C. and Hillier, I.M., J. Phys. Paris 67, 64 (1980)Google Scholar
[12]Dijk, M.P. van, Burggraaf, A.J., Cormack, A.N. and Catlow, C.R.A., Solid State Ionics, 17, 159 (1985)Google Scholar
[13] Lewis, G.V. and Catlow, C.R.A., J. Phys. C: Solid State Physics 18, 1149 (1985)Google Scholar
[14]Sanders, M.J., Leslie, M. and Catlow, C.R.A., J. Chem. Soc. Chem. Comm 1984, 1271Google Scholar
[15]Cormack, A. N., to be published.Google Scholar