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 employed 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 particle is then perturbed using three different methods, with the magnitude being controlled by the variable p. Voronoi analysis is then conducted for various p, and the probability distributions of the number of faces, area, volume, and asphericity factor are then calculated. Also discussed herein is the ability of these VP characteristics to detect the solid/liquid and liquid/gas transitions.