3 research outputs found
Effect of dipolar interactions on the phase behavior of the Gay–Berne liquid crystal model
A computer simulation study of the phase behavior of the dipolar Gay–Berne liquid crystal model
is presented. The phase transitions are determined with isothermal–isobaric ~NPT! Monte Carlo
simulations, utilizing the reaction field method. The electrostatic forces are found to have a
considerable effect on the nature of the observed phases, but the density at which the isotropic fluid
becomes unstable with respect to partially ordered phases is seen to be remarkably insensitive to the
strength of the dipole. We pay particular attention to the structure of the mesophases, combining
information from several singlet and pair distribution functions to build up an accurate picture of the
molecular arrangement of the systems