Density Functional Theory for Hard Polyhedra

被引：31

作者：

Marechal, Matthieu ^{[1
]}

Loewen, Hartmut ^{[1
]}

机构：

[1] Univ Dusseldorf, Inst Theoret Phys 2, D-40225 Dusseldorf, Germany

来源：

PHYSICAL REVIEW LETTERS | 2013年 / 110卷 / 13期

关键词：

FREE-ENERGY MODEL; FLUIDS; NANOCRYSTALS; PARTICLES; PACKINGS; SUPERLATTICES; SHAPE;

D O I：

10.1103/PhysRevLett.110.137801

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

Using the framework of geometry-based fundamental-measure theory, we develop a classical density functional for hard polyhedra and their mixtures and apply it to inhomogeneous fluids of Platonic solids near a hard wall. As revealed by Monte Carlo simulations, the faceted shape of the polyhedra leads to complex layering and orientational ordering near the wall, which is excellently reproduced by our theory. These effects can be verified in real-space experiments on polyhedral colloids. DOI: 10.1103/PhysRevLett.110.137801

引用

页数：5

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