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大颗粒周围液晶流体的结构:密度泛函理论

Structure of a liquid crystalline fluid around a macroparticle: Density functional theory.

作者信息

Cheung David L, Allen Michael P

机构信息

Department of Physics and Centre for Scientific Computing, University of Warwick, Coventry, CV4 7AL, United Kingdom.

出版信息

Phys Rev E Stat Nonlin Soft Matter Phys. 2006 Aug;74(2 Pt 1):021701. doi: 10.1103/PhysRevE.74.021701. Epub 2006 Aug 3.

DOI:10.1103/PhysRevE.74.021701
PMID:17025446
Abstract

The structure of a molecular liquid, in both the nematic liquid crystalline and isotropic phases, around a cylindrical macroparticle, is studied using density functional theory. In the nematic phase the structure of the fluid is highly anisotropic with respect to the director, in agreement with results from simulation and phenomenological theories. On going into the isotropic phase the structure becomes rotationally invariant around the macroparticle with an oriented layer at the surface.

摘要

利用密度泛函理论研究了圆柱状大颗粒周围分子液体在向列型液晶相和各向同性相中的结构。在向列相中,流体结构相对于指向矢具有高度各向异性,这与模拟结果和唯象理论一致。进入各向同性相后,围绕大颗粒的结构变为旋转不变,且在表面有一个取向层。

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