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Phase stability of Ni–Al nanoparticles

Published online by Cambridge University Press:  31 January 2011

S. Ramos de Debiaggi ,
J. M. Campillo  and
A. Caro
S. Ramos de Debiaggi
Affiliation:
Departamiento de Física, Universidad Nacional del Comahue, 8300 Neuquen, Argentina
J. M. Campillo
Affiliation:
Elektrika eta Elektronika Saila, Euskal Herriko Unibertsitatea, 48080 Bilbo, Spain
A. Caro
Affiliation:
Centro Atómico Bariloche, 8400 Bariloche, Argentina
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Abstract

The phase stability of Ni–Al clusters of nanometer size was studied by using the embedded atom model and Monte Carlo simulation techniques. For temperatures of 500 and 1000 K and for a range of compositions below 70 at.% Al, the equilibrium structures of the system were determined and compared with the bulk results. We found that the bulk NiAl (B2) and Ni3Al (L12) phases were stable phases in the nanoparticle system; however, for deviations from ideal composition, the analysis revealed that, because of the surface effect, the composition of the clusters was not uniform. There was a core region in which the structure was ordered, B2 or L12, with a composition very close to the ideal, and a chemically disordered mantle region that allocated the deviations from ideal stoichiometries; in this way, a larger phase field appeared, indicating trends similar to those found in experiments on nanocrystalline Ni–Al powder [S.K. Pabi and B.S. Murty, Mater. Sci. Eng. A214, 146 (1996)]. For concentrations between 37 and 51 at.% Al, an intermediate phase, similar to the tetragonal L10 martensite, appeared.

Type
Articles
Information
Journal of Materials Research , Volume 14 , Issue 7 , July 1999 , pp. 2849 - 2854
Copyright
Copyright © Materials Research Society 1999

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