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Atomistic Simulation of Crystal-to-Amorphous Transitions in the Intermetallic Alloys NiZr2 and Cu3Au.

Published online by Cambridge University Press:  26 February 2011

Fabrizio Cleri ,
Vittorio Rosato  and
Carlo Massobrio
Fabrizio Cleri
Affiliation:
ENEA, C.R.E. Casaccia, INN/MMI, CP2400, 00100 Roma, Italy
Vittorio Rosato
Affiliation:
ENEA, C.R.E. Casaccia, INN/MMI, CP2400, 00100 Roma, Italy
Carlo Massobrio
Affiliation:
Ecole Polytechnique Federale, IPE, Ecublens, CH 1015 Lausanne, Switzerland
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Abstract

The behaviour of two different systems, NiZr2 and Cu3Au, submitted to a chemical disordering process under various thermodynamical conditions has been investigated by Molecular Dynamics simulations. The role played by volume expansion and elastic softening in the onset of the transition has been discussed in the framework of the percolation model (C.Massobrio and V.Pontikis, Phys.Rev.B 45 (1992) 2484), correlating the elastic instability with the percolation of the distorted regions which establishes in the lattice as a consequence of the external perturbations (introduction of defects, volume expansion, chemical disorder etc.).

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 278: Symposium W – Computational Methods in Materials Science , 1992 , 87
Copyright
Copyright © Materials Research Society 1992

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