Calculation of the surface elastic constants of a Gay–Berne nematic liquid crystal from new direct correlation and pair distribution functions

Abstract

In our previous work the bulk elastic constants were calculated using the new direct correlation function. We calculated the surface elastic constants, and of a Gay−Berne nematic liquid crystal at constant temperature and density using the expressions used by Stelzer and co-workers. The angular coefficients of the direct correlation function, which enter the final equations, have been determined using the new direct correlation and pair distribution functions. By studying the model at a fixed temperature and over a wide range of densities for molecular elongation, , detailed information is provided on the elastic behaviour of the Gay−Berne nematic liquid crystal. The results of our calculations are in agreement, qualitatively, with the molecular dynamics simulation results.