title: 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.
authors.affiliation: Department of Chemical and Biological Engineering, University of Wisconsin, Madison, Wisconsin 53706-1691, USA.
authors.forename: Jonathan K
authors.initials: JK
authors.lastname: Whitmer
authors.forename: Tyler F
authors.initials: TF
authors.lastname: Roberts
authors.forename: Raj
authors.initials: R
authors.lastname: Shekhar
authors.forename: Nicholas L
authors.initials: NL
authors.lastname: Abbott
authors.forename: Juan J
authors.initials: JJ
authors.lastname: de Pablo
mesh_terms: D003198:Computer Simulation; D003460:Crystallization / Q000379:methods*; D020724:Elastomers / Q000737:chemistry*; D050866:Liquid Crystals / Q000737:chemistry*; D008956:Models, Chemical; D008958:Models, Molecular; D008968:Molecular Conformation; D044367:Phase Transition
chemical_list: D020724:Elastomers