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Cu-Au Alloys Using Monte Carlo Simulations and the BFS Method for Alloys

Published online by Cambridge University Press:  10 February 2011

Guillermo Bozzolo ,
Brian Good  and
John Ferrante
Guillermo Bozzolo
Affiliation:
Analex Corporation, 3001 Aerospace Parkway, Brook Park, OH, 44142-1003
Brian Good
Affiliation:
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

Semi empirical methods have shown considerable promise in aiding in the calculation of many properties of materials [1,2]. Materials used in engineering applications have defects that occur for various reasons including processing [3]. In this work we present the first application of the BFS (Bozzolo, Ferrante and Smith) method for alloys [1] to describe some aspects of microstructure due to processing for the Cu-Au system (Cu-Au, CuAu3 , and Cu3Au). We use finite temperature Monte Carlo calculations, in order to show the influence of ’heat treatment‘ in the low-temperature phase of the alloy. Although relatively simple, it has enough features that could be used as a first test of the reliability of the technique. The main questions to be answered in this work relate to the existence of low temperature ordered structures for specific concentrations, for example, the ability to distinguish between rather similar phases for equiatomic alloys (CuAu I and CuAu II, the latter characterized by an antiphase boundary separating two identical phases).

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 408: Symposium P – Materials Theory, Simulations, and Parallel Algorithms , 1995 , 357
Copyright
Copyright © Materials Research Society 1996

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References

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