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.

Leaky cell model of hard spheres

Virga, Epifanio G.;
2021-01-01

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.
2021
The Mathematics category includes resources dealing with mathematics, applied mathematics, statistics and probability.
Esperti anonimi
Inglese
Internazionale
STAMPA
154
10
104505
Hard sphere fluids, Phase transitions, Phase coexistence, Freezing transition, Melting transition, Theory of fluids
https://aip.scitation.org/doi/pdf/10.1063/5.0037442
5
info:eu-repo/semantics/article
262
Fai, Thomas G.; Taylor, Jamie M.; Virga, Epifanio G.; Zheng, Xiaoyu; Palffy-Muhoray, Peter
1 Contributo su Rivista::1.1 Articolo in rivista
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/11571/1410614
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