Self Consistent Field Theory of isotropic-nematic interfaces and disclinations in a semiflexible molecule nematic

TL;DR

This paper develops a self-consistent field theory for semi-flexible liquid crystal molecules, analyzing isotropic-nematic interfaces and disclinations, revealing how core sizes depend on system compressibility, interaction strength, and chain flexibility.

Contribution

It introduces a novel SCFT approach for semi-flexible liquid crystals, incorporating microscopic interactions and analyzing defect structures and interfaces.

Findings

Core sizes decrease with reduced compressibility.

Core size decreases with increased nematic order and chain persistence length.

Core size increases with fixed far-field nematic order and chain persistence length.

Abstract

A Self Consistent Field Theory description of equilibrium, but non uniform, configurations adopted by semi flexible liquid crystal molecules is presented. Two cases are considered, isotropic-nematic phase boundaries, and topological defects in the nematic phase (disclinations). Nematogens are modeled by worm-like chains, with microscopic interaction potential of the Maier-Saupe type, with an added isotropic excluded volume contribution. The thermodynamic fields obtained by numerical minimization of the free energy are the molecular density and the nematic tensor order parameter. Interfaces with both homeotropic and planar alignment are studied, as well as biaxiality and anisotropy around $\pm 1/2$ disclinations. The effects induced by fluid compressibility, interaction strength, and elastic anisotropy that follows from chain flexibility on both types of non-uniform configurations are discussed. Defect core sizes decrease as the system becomes less compressible, eventually reaching a constant value in the incompressible limit. The core size is influenced by the nematic interaction strength and chain persistence length, decreasing as the order increases in the nematic region through manipulation of persistence length and nematic interaction. Additionally, when the far field nematic order is fixed, the core size increases with the persistence length.