Diffuse interface field approach to modeling and simulation of self-assembly of charged colloidal particles of various shapes and sizes

被引：14
作者：
Millett, Paul C. [1 ]
Wang, Yu U. [2 ]
机构：
[1] Idaho Natl Lab, Dept Mat Sci, Idaho Falls, ID 83415 USA
[2] Virginia Tech, Dept Mat Sci & Engn, Blacksburg, VA 24061 USA
来源：
ACTA MATERIALIA | 2009年 / 57卷 / 10期
关键词：
Phase field modeling; Diffuse interface field approach; Colloidal processing; Self-assembly; PHASE-DIAGRAM; CRYSTALS; SYSTEM;
D O I：
10.1016/j.actamat.2009.03.016
中图分类号：
T [工业技术];
学科分类号：
08 ;
摘要：
A novel mesoscale simulation approach to modeling the collective interactions of charged colloidal particles allowing investigation of complex self-assembly processes is presented. Diffuse interface field variables are used to describe the shape, size, location and orientation of each individual particle within the computational domain. In addition, these field variables are used to determine the spatially resolved particle charge density distributions as well as the Magnitude and direction of the electric field throughout the medium. Individual particle positions and rotations are updated in time as a result Of long-range electrostatic and short-range repulsive forces and torques. Illustrative results of the model's capability to evolve both monodisperse and binary distributions of charged particles Of various shapes and charge characteristics are presented. (C) 2009 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.
引用
收藏
页码：3101 / 3109
页数：9
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