Planar anchoring of polar liquid crystal molecules in slit pore–molecular dynamics simulation study

Results of molecular dynamics simulations for polar molecules confined to a slit pore with planar anchoring are reported. A molecule is represented by a Gay–Berne particle with a non-central axial dipole moment. To get information about the structure and phase behaviour of the system, on cooling and heating at constant density, the energy, heat capacity, orientational order parameter, and longitudinal- and transverse-distributions of the molecules are analysed. In comparison with the results for the bulk system the nematic phase is much wider. The smectic layers are developed from the pore walls independently, which leads to defects in the smectic structure of the system.