Leaky cell model of hard spheres

被引:2
作者
Fai, Thomas G. [1 ,2 ]
Taylor, Jamie M. [3 ]
Virga, Epifanio G. [4 ]
Zheng, Xiaoyu [5 ]
Palffy-Muhoray, Peter [5 ,6 ]
机构
[1] Brandeis Univ, Dept Math, Waltham, MA 02453 USA
[2] Brandeis Univ, Volen Ctr Complex Syst, Waltham, MA 02453 USA
[3] Basque Ctr Appl Math BCAM, Bilbao, Bizkaia, Spain
[4] Univ Pavia, Dipartimento Matemat, Pavia, Italy
[5] Kent State Univ, Dept Math Sci, Kent, OH 44242 USA
[6] Kent State Univ, Adv Mat & Liquid Crystal Inst, Kent, OH 44242 USA
基金
美国国家科学基金会;
关键词
EQUATION-OF-STATE; FREE-ENERGY; MELTING TRANSITION; PARTICLE PACKINGS; COMMUNAL ENTROPY; FREE-VOLUME; CRYSTAL; FLUID; GASES; COEXISTENCE;
D O I
10.1063/5.0037442
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
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.
引用
收藏
页数:16
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