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Extension of a New Semiempirical Method (BFS) and the Study of Ground State Properties of Binary Alloys

Published online by Cambridge University Press:  01 January 1992

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

We extend the method of Bozzolo, Ferrante and Smith (BFS) for the study of alloy energetics to include a description of the local environment in specific ordered structures. The concept of bond-diagrams is introduced and applied to fcc binary compounds. A simple example of the parameterization of the bond-diagrams is done with reference to available first-principles calculations of Ni-Pt ordered alloys.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 291: Symposium O – Materials Theory and Modeling , 1992 , 389
Copyright
Copyright © Materials Research Society 1993

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References

REFERENCES

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