Anchoring transition of confined prolate hard spherocylinder liquid crystals: hard needle-wall potential

Abstract

ABSTRACTIn the present work, the effects of confinement on a system of hard spherocylinder (HSC) particles interacting with planar substrates through the hard needle-wall potential are studied via Monte Carlo simulation. The molecular volume absorbed at the substrates for the spherocylinder particles are calculated analytically and predicted the critical values of transition parameter from planar to homeotropic anchoring. The transition parameters are achieved from simulations for three particle’s elongations: , , and . The results are in agreement with the predicted values. In the range of small needle length , HSC particles at the first layer near the walls are perpendicular to the walls but in the second layer, are parallel to the walls. To describe this behaviour of HSC particles, we used a system of HSCs consists of two types of molecules: free liquid crystal molecules and fixed perpendicular substrate molecules. We show that the particles near the perpendicular HSCs substrates have parallel alignment. The results of HSCs with and are compared with the hard particle-wall potential. This long needle length interaction is similar to the hard wall potential. Also our results are corresponded to Barmes and Cleaver results on hard Gaussian overlap particles with and , qualitatively.