Gr. Luckhurst et G. Saielli, Computer simulation studies of anisotropic systems. XXXII. Field-inductionof a smectic A phase in a Gay-Berne mesogen, J CHEM PHYS, 112(9), 2000, pp. 4342-4350
Molecular field theory predicts the induction of a smectic A phase by the a
pplication of a field, either magnetic or electric, to a nematic phase. Thi
s intriguing behavior results from an enhancement of the orientational orde
r which is coupled to the translational order and so shifts the smectic A-n
ematic transition. To test this prediction we have investigated a system of
Gay-Berne mesogenic molecules subject to an applied field of second rank u
sing isothermal-isobaric Monte Carlo simulations. The results of our calcul
ations are compared with the Kventsel-Luckhurst-Zewdie molecular field theo
ry of smectogens, modified to include the effect of an external field. We h
ave also used the simulations to explore the possibility of inducing more o
rdered smectic phases with stronger fields. (C) 2000 American Institute of
Physics. [S0021-9606(00)50509-1].