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Order-Disorder Transformation in Cu3AAu: A Molecular Dynamics Study

Published online by Cambridge University Press:  01 January 1992

Fabrizio Cleri,
Giorgio Mazzone and
Vittorio Rosato Enea
Fabrizio Cleri
Affiliation:
Divisione Scienza dei Materiali, C.R.E. Casaccia, CP2400, 00100 ROMA A.D. (Italy)
Giorgio Mazzone
Affiliation:
Divisione Scienza dei Materiali, C.R.E. Casaccia, CP2400, 00100 ROMA A.D. (Italy)
Vittorio Rosato Enea
Affiliation:
Divisione Scienza dei Materiali, C.R.E. Casaccia, CP2400, 00100 ROMA A.D. (Italy)
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Abstract

The order-disorder transformation in CU3Au has been investigated using a combined Molecular Dynamics and Cluster Variation Method approach. Free energy minimization has been performed using the Natural Iteration technique. The calculated temperature dependence of enthalpy, lattice dynamics, short-range and long-range order parameters have been successfully compared with experimental data.

Information

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 291: Symposium O – Materials Theory and Modeling , 1992, 531
Copyright
Copyright © Materials Research Society 1993

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References

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