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Molecular Dynamics Study of the Elastic Response of Crystalline, Amorphous and Chemically Disordered NiZr2

Published online by Cambridge University Press:  26 February 2011

Carlo Massobrio ,
Vittorio Rosato  and
Francois Willaime
Carlo Massobrio
Affiliation:
CNRS, Composés Non-Stoechiométriques, URA 446, Université de Paris Sud, 91407 Orsay Cedex, France
Vittorio Rosato
Affiliation:
ENEA-TIB C.R.E. CASACCIA, Divisione Scienza dei Materiali, Roma, Italy
Francois Willaime
Affiliation:
Centre d'Etudes Nucléaires de Saclay, Section de Recherches de Métallurgie Physique, 91191 Gif-Sur-Yvette Cedex, France
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Abstract

We calculate the shear elastic constants of the alloy NiZr2 by molecular dynamics simulations in the crystalline and amorphous phases as well as upon introduction of antisite defects in the crystal at T=300K. For S (long range order parameter) equal to 0.5, the system is amorphous and C' is larger than the same quantity relative to the crystal whereas C44 and C66 are smaller.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 205: Symposium F – Kinetics of Phase Transformations , 1990 , 399
Copyright
Copyright © Materials Research Society 1992

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