Modeling the polydomain-monodomain transition of liquid crystal elastomers.

ABSTRACT: 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.

SUBMITTER: Whitmer JK 

PROVIDER: S-EPMC4434589 | biostudies-literature | 2013 Feb

REPOSITORIES: biostudies-literature