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A First Principles Examination of Phase Stability in Fcc-Based Ni-V Substitutional Alloys

Published online by Cambridge University Press:  28 February 2011

J. Mikalopas ,
P.E.A. Turchi ,
M. Sluiter  and
P.A. Sterne
J. Mikalopas
Affiliation:
Lawrence Livermore National Laboratory, L-268, Livermore, CA 94550
P.E.A. Turchi
Affiliation:
Lawrence Livermore National Laboratory, L-268, Livermore, CA 94550
M. Sluiter
Affiliation:
Lawrence Livermore National Laboratory, L-268, Livermore, CA 94550
P.A. Sterne
Affiliation:
Lawrence Livermore National Laboratory, L-268, Livermore, CA 94550
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Abstract

The phase stability of fcc-based Ni-V substitutional alloys is investigated using linear muffin-tin orbitals total energy (LMTO) calculations. The method of Connolly and Williams (CWM) is used to extract many body interactions from the ground state energies of selected ordered configurations. These interactions are used in conjunction with the cluster variation method (CVM) to calculate the alloy phase diagram. The dependence of the interactions on the choice of configurations used to calculate them is examined.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 186: Symposium I – Alloy Phase Stability and Design , 1990 , 83
Copyright
Copyright © Materials Research Society 1991

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