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A Molecular Dynamics Study of the Terminal Zr(Ni) Solid Solutions

Published online by Cambridge University Press:  15 February 2011

F. Cleri,
G. Mazzone and
V. Rosato
F. Cleri
Affiliation:
ENEA, Ente per le Nuove Tecnologie, l'Energia e l'Ambiente Centro Ricerche Casaccia, C.P. 2400, 00100 Roma A.D., Italy
G. Mazzone
Affiliation:
also: Istituto Nazionale Fisica della Materia, Unità di Perugia, Perugia, Italy
V. Rosato
Affiliation:
ENEA, Ente per le Nuove Tecnologie, l'Energia e l'Ambiente Centro Ricerche Casaccia, C.P. 2400, 00100 Roma A.D., Italy
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Abstract

The Zr terminal portion of the Zr-Ni phase diagram has been evaluated by means of a many-body tight-binding potential. The internal energy curves of the Zr(Ni) solid solutions at T=300 K have been calculated by Molecular Dynamics simulations. These curves exhibit positive values, contrary to former empirical phase diagram calculations. Implications of these results relevant to the problem of amorphization in metallic systems by solid-state reactions are discussed.

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