Reaction field and Ewald summation study of mesophase formation in dipolar Gay-Berne model

The phase transitions exhibited by systems described by the Gay–Berne model are studied when dipole-dipole interactions are present. The system presents only an isotropic-smectic B transition at the reduced temperature T * = 1.25, whereas in the absence of dipolar interactions the system has isotropic-nematic-smectic B phases for the same temperature. The simulations were carried out with different simulation procedures, showing that Monte Carlo in the N pT ensemble with the reaction field is the most convenient.