Molecular dynamics simulation study of polar liquid crystal molecules in slit pores

We present results of molecular dynamics simulations for polar molecules confined to a slit pore with homeotropic anchoring. The molecules are modelled by Gay–Berne particles with a non-central axial dipole moment. Information about the structure and phase behaviour of the system, on cooling and heating at constant density, is obtained by analysing the orientational order parameter, density profiles across the pore and molecular distributions in smectic layers. In comparison with the results for the bulk system the nematic and smectic-A phases are wider, however, the smectic-B phase occurs at lower temperatures.