Back to Search Start Over

Leaky cell model of hard spheres.

Authors :
Fai, Thomas G.
Taylor, Jamie M.
Virga, Epifanio G.
Zheng, Xiaoyu
Palffy-Muhoray, Peter
Source :
Journal of Chemical Physics; 3/14/2021, Vol. 154 Issue 10, p1-16, 16p
Publication Year :
2021

Abstract

We study packings of hard spheres on lattices. The partition function, and therefore the pressure, may be written solely in terms of the accessible free volume, i.e., the volume of space that a sphere can explore without touching another sphere. We compute these free volumes using a leaky cell model, in which the accessible space accounts for the possibility that spheres may escape from the local cage of lattice neighbors. We describe how elementary geometry may be used to calculate the free volume exactly for this leaky cell model in two- and three-dimensional lattice packings and compare the results to the well-known Carnahan–Starling and Percus–Yevick liquid models. We provide formulas for the free volumes of various lattices and use the common tangent construction to identify several phase transitions between them in the leaky cell regime, indicating the possibility of coexistence in crystalline materials. [ABSTRACT FROM AUTHOR]

Details

Language :
English
ISSN :
00219606
Volume :
154
Issue :
10
Database :
Complementary Index
Journal :
Journal of Chemical Physics
Publication Type :
Academic Journal
Accession number :
149286340
Full Text :
https://doi.org/10.1063/5.0037442