Distinguishing liquids from amorphous solids: Percolation analysis on the Voronoi network
- 1 December 1990
- journal article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 93 (11) , 8337-8342
- https://doi.org/10.1063/1.459711
Abstract
The mutual arrangement of the Delaunay simplices (configurations of four nearest atoms) has been studied for molecular dynamic (MD) models of liquid and quenched rubidium obtained by M. Tanaka [J. Phys. Soc. Jpn. 5 5, 3108 (1986)]. The Delaunay simplices with large circumradii and low local density of atoms, the simplices with small circumradii representing dense atomic configurations, and the simplices close in shape to perfect tetrahedron representing ‘‘rigid’’ arrangements of atomic quadruplets were delineated. The Delaunay simplices form clusters; consideration of the latter constitutes a site percolation problem on the Voronoi network [N. N. Medvedev, V. P. Voloshin, and Yu. I. Naberukhin, J. Phys. A: Math. Gen. 2 1, L247 (1986)]. Analysis of the MD results in these terms shows that low density atomic configurations in the liquid phase form a percolative cluster. Such a cluster does not occur in a solid phase. On the contrary, there is a percolative cluster in the solid sample, but formed by high density configurations which are nearly tetrahedral.Keywords
This publication has 36 references indexed in Scilit:
- Can Various Classes of Atomic Configurations (Delaunay Simplices) be Distinguished in Random Dense Packings of Spherical Particles?Molecular Simulation, 1989
- Structure of simple liquids as a percolation problem on the Voronoi networkJournal of Physics A: General Physics, 1988
- Voronoi polyhedra as structure probes in large molecular systemsBiopolymers, 1988
- Invariants of spherical harmonics as order parameters in liquidsJournal of the Chemical Society, Faraday Transactions 2: Molecular and Chemical Physics, 1987
- Voronoi polyhedra and solvent structure for aqueous solutions (III)The Journal of Chemical Physics, 1982
- Voronoi polyhedra and cluster recognitionThe Journal of Chemical Physics, 1982
- Voronoi polyhedra as a tool for studying solvation structureThe Journal of Chemical Physics, 1982
- An analysis of crystallization by homogeneous nucleation in a 4000-atom soft-sphere modelThe Journal of Chemical Physics, 1981
- Free volume in condensed phases: Separation of contributionsPolymer, 1980
- Statistical Thermodynamics of Liquid MixturesJournal of the American Chemical Society, 1965