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Close-packing transitions in clusters of Lennard-Jones spheres

Calvo, Florent and Benali, Mohammed and Gerbaud, Vincent and Hemati, Mehrdji Close-packing transitions in clusters of Lennard-Jones spheres. (2005) Computing Letters, vol. 1 (n° 4). pp. 183-191. ISSN 1574-0404

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Official URL: http://dx.doi.org/10.1163/157404005776611295

Abstract

The structures of clusters of spherical and homogeneous particles are investigated using a combination of global optimization methods. The pairwise potential between particles is integrated exactly from elementary Lennard-Jones interactions, and the use of reduced units allows us to get insight into the effects of the particle diameter. As the diameter increases, the potential becomes very sharp, and the cluster structure generally changes from icosahedral (small radius) to close-packed cubic (large radius), possibly through intermediate decahedral shapes. The results are interpreted in terms of the effective range of the potential.

Item Type:Article
Additional Information:The original publication is available on http://www.ingentaconnect.com/content/vsp/cole;jsessionid=b46in3q8p94gi.alexandra
Audience (journal):International peer-reviewed journal
Uncontrolled Keywords:
Institution: Université de Toulouse > Institut National Polytechnique de Toulouse - INPT
Université de Toulouse > Université Paul Sabatier-Toulouse III - UPS
French research institutions > Centre National de la Recherche Scientifique - CNRS
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Deposited By: Vincent GERBAUD
Deposited On:01 Feb 2008 11:59

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