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Monte Carlo Simulations of Phase Transformations in Fe-Cr Alloys

Published online by Cambridge University Press:  01 January 1992

L. Reinhard  and
P. E. A. Turchi
L. Reinhard
Affiliation:
Lawrence Livermore National Laboratory, Condensed Matter Division (L-268), P. O. Box 808, Livermore, CA 94550
P. E. A. Turchi
Affiliation:
Lawrence Livermore National Laboratory, Condensed Matter Division (L-268), P. O. Box 808, Livermore, CA 94550
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Abstract

Phase stability properties of bcc based Fe-Cr alloys are examined in the framework of the first-principles KKR-CPA-GPM formalism and Monte Carlo simulations. For Fe-rich alloys, ordered configurations are found stable with respect to the random state of the alloy, but unstable with respect to the pure Fe and Cr metals. The results are compared with the ones obtained by using energy parameters extracted from experimental diffuse scattering data.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 291: Symposium O – Materials Theory and Modeling , 1992 , 407
Copyright
Copyright © Materials Research Society 1993

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References

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