Antiferroelectric smectic ordering of dipolar molecules from Monte Carlo simulations

1 February 1998

conference paper
Published by SPIE-Intl Soc Optical Eng

Vol. 3318, 179-181
https://doi.org/10.1117/12.299966

Abstract

We have performed Monte Carlo simulations for elongated molecules assuming an ideal orientational order. The intermolecular forces were derived form the Gay-Bernes model, where the long molecular axis were taken parallel to the z-direction. Additionally, we included dipole-dipole interactions by adding permanent dipoles along z. The dipoles were allowed to be oriented either up or down, similar to spin configurations in the Ising model. Their interactions were evaluated by using the Ewald summation technique.By changing temperature and the magnitude of the molecular dipoles we found an ideal nematic phase, smectc A¹ or A² phases.

Keywords

MONTE CARLO SIMULATION
MOLECULES
ISING MODEL

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