(447d) Monte Carlo Simulation of Liquid Crystalline Elastomers | AIChE

(447d) Monte Carlo Simulation of Liquid Crystalline Elastomers


Shekar, R. - Presenter, University of Wisconsin-Madison
De Pablo, J.J - Presenter, University of Wisconsin-Madison

Liquid crystalline elastomers exhibit a variety of intriguing properties. In

these materials, the optical and elastic properties of liquid crystals are

combined with polymer chains to create a novel phase of matter. When

polymerized under strain, liquid crystalline elastomers exhibit interesting

anisotropic mechanical properties that can be used in a variety of

applications, including sensors. Theoretical and computational studies of

liquid crystalline elastomers have been limited. In our work, we have

developed a model for liquid crystals, elastomers, and liquid crystalline

elastomers that is capable of describing the structure and properties of

these materials over a wide range of length scales. The model relies on a

self-consistent field formulation of the system. The model is solved by

resorting to a Monte Carlo approach that facilitates description of

interfaces and nanoscale inclusions. The validity of the model is

illustrated by describing the behavior of bulk liquid crystals and polymeric

molecules at liquid crystal interfaces. Results are then presented for

liquid crystalline elastomers in the bulk.