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Melting, Freezing, Diffusion, and Colescence of Gold Nanoclusters

Published online by Cambridge University Press:  10 February 2011

Laurent J. Lewis ,
Pierre Deltour ,
Pablo Jensen  and
Jean-Louis Barrat
Laurent J. Lewis
Affiliation:
Département de physique et GCM, Université de Montréal, C.P. 6128, Succursale Centre-Ville, Montréal, Québec, Canada H3C 3J7
Pierre Deltour
Affiliation:
Département de physique des matériaux, Université Claude-Bernard Lyon-I, 69622 Villeurbanne Cedex, France
Pablo Jensen
Affiliation:
Département de physique des matériaux, Université Claude-Bernard Lyon-I, 69622 Villeurbanne Cedex, France
Jean-Louis Barrat
Affiliation:
Département de physique des matériaux, Université Claude-Bernard Lyon-I, 69622 Villeurbanne Cedex, France
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Abstract

We present a detailed molecular-dynamics study of the coalescence of gold nanoclusters within the framework of the embedded-atom method. We find macroscopic sintering theories to be unable to describe the coalescing behavior of two small clusters, a failure we attribute to the fact that the nanocrystals are faceted; this has important consequences for the morphology of cluster-assembled materials. We also examine the static and dynamic properties of a 249-atom gold cluster on nickel surfaces.

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