Description of multi-particle systems using Voronoi polyhedra

This study performed Voronoi polyhedra (VP) analysis to describe simulated multi-particle systems with controlled disorderliness. The methodology empl oyed herein initiates with a fixed number of particles (ranging from 64 to 256) on various lattice sites (fcc, bcc and sc). The position of each parti cle is then perturbed using three different methods, with the magnitude bei ng controlled by the variable p. C Voronoi analysis is then conducted for v arious p, and the probability distributions of the number of faces, area, v olume, and asphericity factor are then calculated. Also discussed herein is the ability of these VP characteristics to detect the solid/liquid and liq uid/gas transitions. (C) 2001 Elsevier Science B.V. All rights reserved.