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Phys. Rev. E 60, 4551–4558 (1999)

Geometrical characterization of hard-sphere systems

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Patrick Richard1, Luc Oger1, Jean-Paul Troadec1, and Annie Gervois2
1Groupe Matière Condensée et Matériaux, UMR CNRS 6626, Université de Rennes I, 35042 Rennes Cedex, France
2Service de Physique Théorique, Direction de Sciences de la Matière, CEA/Saclay, 91191 Gif-sur-Yvette Cedex, France

Received 19 February 1999; published in the issue dated October 1999

By using molecular dynamics simulations on a large number of hard spheres and the Voronoï tessellation we characterize hard-sphere systems geometrically at any packing fraction η along the different branches of the phase diagram. Crystallization of disordered packings occurs only for a small range of packing fraction. For the other packing fractions the system behaves as either a fluid (stable or metastable) or a glass. We have studied the evolution of the statistics of the Voronoï tessellation during crystallization and characterized the apparition of order by an order parameter (Q6) built from spherical harmonics.

© 1999 The American Physical Society

URL:
http://link.aps.org/doi/10.1103/PhysRevE.60.4551
DOI:
10.1103/PhysRevE.60.4551
PACS:
05.70.Fh, 05.20.-y, 61.20.-p