A tensor model for nematic phases of bent-core molecules based on molecular theory

Abstract

We construct a tensor model for nematic phases of bent-core molecules from molecular theory. The form of free energy is determined by molecular symmetry, which includes the couplings and derivatives of a vector and two second-order tensors, with the coefficients determined by molecular parameters. We use the model to study the nematic phases resulting from the hardcore potential. Unlike most macroscopic models, we are able to obtain the phase diagram about the molecular parameters, but not merely some phenomenological coefficients. The tensor model is applicable to other molecules with the same symmetry, which we demonstrate by studying the phase diagram of star molecules.

Publication
Xu J., Ye F., Zhang P. (2018). A tensor model for nematic phases of bent-core molecules based on molecular theory. In Multiscale Modeling & Simulation, 16.