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

We present results of molecular dynamics simulations for polar molecules co nfined to a slit pore with homeotropic anchoring. The molecules are modelle d by Gay-Berne particles with a non-central axial dipole moment. Informatio n about the structure and phase behaviour of the system. on cooling and hea ting 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 nema tic and smectic-A phases are wider, however, the smectic-B phase occurs at lower temperatures. (C) 2000 Elsevier Science B.V. All rights reserved.