Modeling the polydomain-monodomain transition of liquid crystal elastomers

被引：20
|
作者：
Whitmer, Jonathan K. [1 ]
Roberts, Tyler F. [1 ]
Shekhar, Raj [1 ]
Abbott, Nicholas L. [1 ]
de Pablo, Juan J. [2 ,3 ]
机构：
[1] Univ Wisconsin, Dept Chem & Biol Engn, Madison, WI 53706 USA
[2] Univ Chicago, Inst Mol Engn, Chicago, IL 60637 USA
[3] Argonne Natl Lab, Argonne, IL 60439 USA
来源：
PHYSICAL REVIEW E | 2013年 / 87卷 / 02期
基金：
美国国家科学基金会;
关键词：
NEMATIC ELASTOMERS; PHASE-BEHAVIOR; DEFORMATION; SIMULATIONS; DYNAMICS; DISORDER; FIELD;
D O I：
10.1103/PhysRevE.87.020502
中图分类号：
O35 [流体力学]; O53 [等离子体物理学];
学科分类号：
070204 ; 080103 ; 080704 ;
摘要：
We study the mechanism of the polydomain-monodomain transition in liquid crystalline elastomers at the molecular scale. A coarse-grained model is proposed in which mesogens are described as ellipsoidal particles. Molecular dynamics simulations are used to examine the transition from a polydomain state to a monodomain state in the presence of uniaxial strain. Our model demonstrates soft elasticity, similar to that exhibited by side-chain elastomers in the literature. By analyzing the growth dynamics of nematic domains during uniaxial extension, we provide direct evidence that at a molecular level the polydomain-monodomain transition proceeds through cluster rotation and domain growth. DOI: 10.1103/PhysRevE.87.020502
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页数：5
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