Analytical approach to the thermodynamics and density distribution of crystalline phases of hard spheres

Citation
E. Velasco et al., Analytical approach to the thermodynamics and density distribution of crystalline phases of hard spheres, MOLEC PHYS, 97(12), 1999, pp. 1273-1277
Citations number
19
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
MOLECULAR PHYSICS
ISSN journal
00268976 → ACNP
Volume
97
Issue
12
Year of publication
1999
Pages
1273 - 1277
Database
ISI
SICI code
0026-8976(199912)97:12<1273:AATTTA>2.0.ZU;2-Y
Abstract
We extend the well-known free-volume approach to describe the thermodynamic properties and density distribution of crystalline phases of hard hypersph ere systems. Despite its extreme simplicity the approach yields results whi ch are in quantitative agreement with simulation data. The theory can, in p articular, describe the properties of the body-centred cubic phase of hard spheres, for which density-functional approaches provide unphysical results , allowing for the application of perturbation theory to situations where, as is the case in some colloidal systems, the body-centred cubic is one of the most interesting phases. The theory is also tested by applying it to sy stems of hard discs.