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New Semi-Empirical Method for Alloys

Published online by Cambridge University Press:  26 February 2011

Guillermo Bozzolo  and
John Ferrante
Guillermo Bozzolo
Affiliation:
Analex Corporation, 3001 Aerospace Parkway, Brookpark, OH 44142-1003 National Aeronautics and Space Administration, Lewis Research Center, Cleveland, OH 44135
John Ferrante
Affiliation:
National Aeronautics and Space Administration, Lewis Research Center, Cleveland, OH 44135
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Abstract

We introduce a new semi-empirical method for calculating alloy properties. The method Is based on the concepts of equivalent crystal theory of defect formation energies in elemental solids. With this new method we predict heats of formation, lattice parameters, surface energies, segregation senergies and other properties of several binary alloys of fcc (Cu, NI, Ag, Au, Al, Fe, Pd and Pt) and bcc (Cr, Mo, Fe, V) elements. The method is characterized for its extreme computational simplicity and good agreement with experimental results. Several applications of the method are discussed.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 278: Symposium W – Computational Methods in Materials Science , 1992 , 331
Copyright
Copyright © Materials Research Society 1992

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References

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