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Molecular Physics
An International Journal at the Interface Between Chemistry and Physics
Volume 103, 2005 - Issue 21-23: Special Issue in Honour of Professor Benjamin Widom
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Original Articles

The Widom insertion method and ordering in small hard-sphere systems

Pages 3195-3200 | Received 02 May 2005, Accepted 10 Jun 2005, Published online: 21 Feb 2007
 

Abstract

We study a small system of spherically confined hard spheres using the Widom particle insertion method as an indicator for the ordering transition. By Monte Carlo simulations we determine the insertion probability as a function of the number of particles and the box size. We find an increase of the insertion probability upon increasing density, which becomes more pronounced as the box size decreases. The increase of the insertion probability corresponds to an increase of the order, which is confirmed by a local bond-order analysis and the simulation snapshots. The ordered structures can be described as defective solids.

Acknowledgments

HNWL would like to thank Ben Widom for many enlightening discussions on the subject of this paper and many other topics. Furthermore, we thank Stephen Williams and Mirjam Leunissen for useful discussions and Urs Gasser for the bond-order programs. This work is part of the research programme of the Stichting voor Fundamenteel Onderzoek der Materie (FOM), financially supported by the Nederlandse Organisatie voor Wetenschappelijk Onderzoek (NWO).

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