@article{mcgrother_gil-villegas_jackson_1998, title={The effect of dipolar interactions on the liquid crystalline phase transitions of hard spherocylinders with central longitudinal dipoles}, volume={95}, ISSN={["1362-3028"]}, DOI={10.1080/00268979809483199}, abstractNote={The results of isothermal—isobaric Monte Carlo (MC-NPT) simulations for N = 1020 hard spherocylinders of aspect ratio L/D = 5 with embedded central longitudinal point dipoles are presented. The effect of the dipolar interactions on the phase transitions to the mesophases is examined. For this aspect ratio, non-polar hard spherocylinders exhibit both nematic (N) and smectic-A (SmA) liquid crystalline phases. This study examines the effect of the dipoles on the densities and pressures of the transitions from the isotropic (I) fluid to these liquid crystalline phases. The long range of the dipole-dipole interaction is accounted for by using the reaction field approach with a self-consistent treatment of the dielectric of the boundary; this approach gives results indistinguishable from the full Ewald summation, which is very computationally costly. At moderate temperatures, the transition from the isotropic fluid to the nematic liquid crystalline phases appears to be postponed to higher densities by the inclu...}, number={3}, journal={MOLECULAR PHYSICS}, author={McGrother, SC and Gil-Villegas, A and Jackson, G}, year={1998}, month={Oct}, pages={657–673} }