Chemical Engineering Communications, Vol.176, 77-87, 1999
Voronoi polygons as a probe for channel identification in a 2-D system
Voronoi polygons (VP) has been successfully employed for providing microstructural information to many multi-particle assemblies. This work has, however, highlighted the difficulties of employing Voronoi polygons (VP) to identify channels in a two-dimensional, multi-particle assembly. We noted that the VP area distribution is a good channel identifier as the constituent particles on the 2-D surface is only slightly perturbed from a crystal alignment. The asphericity parameter, which has been proposed as a superior index for microstructural descriptor, fails to detect the channel existing in a staggered lattice. Furthermore, the capability of VP in detecting channels decays markedly as the packing order decreases. Limitations of using VP had been addressed.
Keywords:MOLECULAR-DYNAMICS;LIQUID WATER;POLYHEDRA;VOLUME;TESSELLATION;SIMULATION;TRANSITION;SURFACE;PACKING;DENSITY