An extensive study of static vacancy distributions was carried out on three-dimensional particle configurations of liquid gallium at three temperatures, and of hard sphere fluids. It was shown that various vacancy properties and distributions can be used for deriving effective hard core diameters that are important for various theories describing atomic level dynamics in liquids.
- Dirichlet-Voronoi polyhedra
- Effective hard core diameter
- Liquid gallium
ASJC Scopus subject areas
- Physical and Theoretical Chemistry