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On the Choice of a Maximal Cluster in the Cluster Variational Method

Published online by Cambridge University Press:  01 January 1992

David A. Vul  and
Didier de Fontaine
David A. Vul
Affiliation:
Department of Materials Science and Mineral Engineering, University of California, Berkeley, CA 94720
Didier de Fontaine
Affiliation:
Department of Materials Science and Mineral Engineering, University of California, Berkeley, CA 94720 Materials Sciences Division, Lawrence Berkeley Laboratory, Berkeley, CA 94720
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Abstract

An explanation of the occurrence of unphysical solutions in the cluster variational method is given. A simple algorithm for the construction of an optimal maximal cluster, i.e., a cluster that guarantees correct results for any set of interatomic interactions, is suggested. Examples of optimal maximal clusters for various two- and three-dimensional lattices are presented.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 291: Symposium O – Materials Theory and Modeling , 1992 , 401
Copyright
Copyright © Materials Research Society 1993

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References

REFERENCES

1. Kikuchi, R., Phys. Rev. 81, 988(1951).Google Scholar
2. Sanchez, J.M. and de Fontaine, D., Phys. Rev. B, 17, 2926 (1978).Google Scholar
3. Sanchez, J.M., Ducastelle, F., Gratias, D., Physica (Utrecht) 128A, 334 (1984).Google Scholar
4. Finel, A., , Alloy Phase Stability, edited by Stocks, G.M. and Gonis, A. NATO-ASI Series E, Vol.163 (Kluwer, Dordrecht, 1989), p. 269.Google Scholar
5. Kubo, R., J. Phys. Soc. Japan 17, 1100 (1962).Google Scholar