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

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 be extended to study other ordered phases such as smectics and crystalline solids.