Molecular dynamics study of nematic structures confined to a cylindrical cavity

Molecular dynamics is used to simulate nematic liquid crystal structures co nfined to a submicron cylindrical cavity. Molecules, fixed at the lattice p oints, are set to interact via a modified induced-dipole-induced-dipole typ e coupling. Stability regions of characteristic nematic structures are dete rmined 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 predict ions of the elastic free energy deep in the submicron regime. [S1063-651X(9 8)06112-1].