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New Semi-Empirical Method for Alloys
Published online by Cambridge University Press: 26 February 2011
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.
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- Copyright © Materials Research Society 1992
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