Homeotropic surface anchoring of a Gay-Berne nematic liquid crystal

The ordering of a nematic liquid crystal in the presence of a smooth surface is analyzed in detail. In particular, the force constants for homeotropic anchoring are estimated by a local density functional method with data from molecular dynamics simulations. The system studied is a model Gay-Berne nematic liquid crystal. For the molecule-surface interaction both an anisotropic and an isotropic one-particle potential are taken. In both cases a surface-induced smectic A phase is being observed even though the phase is unstable in the bulk.