Liquid crystal formation in a system of fused hard spheres

Abstract

The Monte Carlo method is used to study three systems of fused hard spheres with length-to-width ratios ranging from 3·5 to 5·2. Spontaneous nematic alignment is observed only for the most elongated molecules. The isotropic data are compared with a theoretical expression due to Boublik and are fitted by a y expansion in each case. Site-site distribution functions and Legendre coefficients of the total angular distribution function are reported for a representative state point in the nematic phase. These are discussed in relation to the equivalent functions for a system of parallel fused spheres. It is found that the single-particle angular distribution function is represented well by f(γ) = A exp (- κ cos² γ) + c. The Frank elastic constants are estimated and are in the expected range. At higher densities there is evidence for a smectic phase.