Molecular dynamics study of nematic structures confined to a cylindrical cavity

Abstract

Molecular dynamics is used to simulate nematic liquid crystal structures confined to a submicron cylindrical cavity. Molecules, fixed at the lattice points, are set to interact via a modified induced-dipole--induced-dipole type coupling. Stability regions of characteristic nematic structures are determined as functions of the cylinder radius, homeotropic anchoring strength, and degree of the interaction anisotropy. A connection linking elastic and microscopic approaches is established. Results confirm most of the predictions of the elastic free energy deep in the submicron regime.