Monte Carlo simulation using the Wang-Landau algorithm has been performed in an one-dimensional Lebwohl-Lasher model. Both one-dimensional and two-dimensional random walks have been carried out. The results are compared with the exact results which are available for this model.

Monte Carlo simulation performed on a lattice system of biaxial molecules possessing D 2h symmetry and interacting with a second rank anisotropic dispersion potential yields three distinct macroscopic phases depending on the biaxiality of the constituent molecules. The phase diagram of such a system as a function of molecular biaxiality is greatly modified when a transverse dipole is considered to be associated with each molecule so that the symmetry is reduced to C 2v . Our results indicate the splitting of the Landau point i.e. the point in the phase diagram where a direct transition from the isotropic phase to the biaxial nematic phase occurs, into a Landau line for a system of biaxial molecules with strong transverse dipoles. The width of the Landau line becomes maximum for an optimal value of the relative dipolar strength. The presence of transverse dipoles leads to the stabilization of the thermotropic biaxial nematic phase

Density effects at the nematic–isotropic phase transition is studied by means of Landau–de Gennes theory. The analysis shows that the density variation shifts the nematic–isotropic transition temperature T NI and changes the Landau–de gennes free energy expansion coefficients. The possibility of the tricritical behaviour of the nematic–isotropic phase transition is also discussed by the density variation. The low value of T NI -T* (T* is the absolute stability limit of the isotropic phase) and the various thermodynamic quantities are also calculated to compare with the experimental data.

We determine the nematic-isotropic coexistence curve terminating at the critical point in a temperature-external field phase diagram for nematic liquid crystals with positive diamagnetic anisotropy, where the molecules are either perfectly uniaxial or biaxial using computer simulation of a lattice model. The coexistence curve is much steeper than that predicted by the standard Landau-de Gennes and Maier-Saupe mean-field theories. For the uniaxial system the critical magnetic field is estimated to be one order of magnitude lower than the mean-field estimate but of the same order of magnitude as the experimental measurement. Our study shows that molecular biaxiality could reduce the critical field strength significantly.

We propose a Landau-de Gennes phenomenological model to describe the pressure induced smectic A-nematic phase transition. The influence of pressure on smectic A-nematic phase transitions are discussed for varying coupling between orientational and translational order parameter with pressure. Increasing the pressure, the first order nematic-smectic A transition becomes second order at a tricritical point which agrees fairly well with available experimental results.