Ordered structures formed by ultrasoft, aspherical particles

被引：5
|
作者：
Weissenhofer, Markus [1 ,2 ]
Pini, Davide [3 ]
Kahl, Gerhard [1 ,2 ]
机构：
[1] TU Wien, Inst Theoret Phys, Wiedner Hauptstr 8-10, A-1040 Vienna, Austria
[2] TU Wien, Ctr Computat Mat Sci CMS, Wiedner Hauptstr 8-10, A-1040 Vienna, Austria
[3] Univ Milan, Dipartimento Fis A Pontremoli, Milan, Italy
来源：
MOLECULAR PHYSICS | 2018年 / 116卷 / 21-22期
基金：
奥地利科学基金会;
关键词：
Classical density functional theory; ultrasoft particles; aspherical interactions; RANDOM-FLIGHT CHAIN; PATCHY COLLOIDS; DENSITY; SHAPE;
D O I：
10.1080/00268976.2018.1503353
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 have applied the formalism of classical density functional theory to study the shape and the orientation of the density profiles.(r) formed by aspherical, ultrasoft particles. For simplicitywehave considered particles with an elliptic shape, characterised by an aspect ratio.. The.(r)' s are obtained via the minimisation of the grand-potential functional [.], for which we have used a mean-field format. The optimisation of [.] is numerically realised in a free (i. e. unbiased) manner minimising the functional with respect to the density profile, which we have discretised in the unit cell of the lattice on 803 grid points. Keeping the temperature fixed and varying the chemical potential and., we have investigated the impact of these parameters on the density profile. [GRAPHICS] .
引用
收藏
页码：2872 / 2882
页数：11
相关论文
共 50 条
12345