Monte Carlo investigations of a Gay—Berne liquid crystal
- 1 January 1993
- journal article
- research article
- Published by Royal Society of Chemistry (RSC) in Journal of the Chemical Society, Faraday Transactions
- Vol. 89 (22) , 4069-4078
- https://doi.org/10.1039/ft9938904069
Abstract
We report extensive Monte Carlo simulations of two systems with 512 and 1000 particles interacting with a Gay–Berne potential with strength parameters (µ= 1, ν= 3) that enhance the side-by-side and end-to-end interactions between the particles. We show that the system has a smectic, nematic and isotropic phase and we calculate the order parameters 〈P2〉, 〈P4〉, the intermolecular vector distribution and other relevant observables as a function of temperature at a scaled density ρ*= 0.30.This publication has 34 references indexed in Scilit:
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