Pair correlation functions in nematics, free-energy functional and isotropic-nematic transition

TL;DR

This paper develops a free energy functional incorporating pair correlation functions for inhomogeneous nematic systems, accurately predicting the isotropic-nematic transition and aligning well with simulations.

Contribution

It introduces a novel method to compute pair correlation functions in nematics using the Ornstein-Zernike equation with Percus-Yevick closure, improving transition predictions.

Findings

Accurately predicts isotropic-nematic transition

Matches well with computer simulation results

Can be extended to other ordered phases

Abstract

We develop a free energy functional for an inhomogeneous system that contains both symmetry conserved and symmetry broken parts of the direct pair correlation function. These correlation functions are found by solving the Ornstein- Zernike equation with the Percus-Yevick closure relation. The method developed here gives the pair correlation functions in the ordered phase with features that agree well with the results found by computer simulations. The theory predicts accurately the isotropic-nematic transition in a system of anisotropic molecules and can easily be extended to study other ordered phases such as smectics and crystalline solids.