Atomistic Molecular Modeling of Electric Field Poling of Nonlinear Optical Polymers

Abstract

The orientation of the nonlinear optical chromophore in a guest-host polymer system under the application of an external electric field plays an important role in the electro-optic activity in the material. The process of electric field poling of nonlinear optical chromophores in polymer systems has been studied through both Monte Carlo simulations and atomistic molecular modeling simulations. We review the progress of simulations in this area as well as describe our efforts and progress in understanding the process of electric field poling at an atomistic level of theory.