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Electronic Structure and Phase Stability Properties of Ai-Li Alloys

Published online by Cambridge University Press:  28 February 2011

Antonios Gonis
Affiliation:
Lawrence Livermore National Laboratory, Chemistry and Materials Science, L-268, Livermore, CA 94550
Patrice E.A. Turchi
Affiliation:
Lawrence Livermore National Laboratory, Chemistry and Materials Science, L-268, Livermore, CA 94550
Marcel Sluiter
Affiliation:
Lawrence Livermore National Laboratory, Chemistry and Materials Science, L-268, Livermore, CA 94550
Frank J. Pinski
Affiliation:
University of Cincinnati, Physics Department, Cincinnati, Sandia National Laboratories, 8341
Duane D. Johnson
Affiliation:
East Ave., Livinermore, CA 94550, USA
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Abstract

Recently, the phase diagram of AI-Li alloys was calculated with the use of the Connolly-Williams method. In an effort to test the validity and to supplement the results of that study, equilibrium lattice constants and effective cluster interactions have been obtained using the generalized perturbation method within the first-principles multiple-scattering formalism of the Korringa-Kohn-Rostoker coherent-potential approximation. The implication of these effective interactions to the phase stability of these alloys is discussed.

Type
Research Article
Copyright
Copyright © Materials Research Society 1991

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