MONTE-CARLO INVESTIGATIONS OF A GAY-BERNE LIQUID-CRYSTAL

Authors
BERARDI R EMERSON APJ ZANNONI C
Citation
R. Berardi et al., MONTE-CARLO INVESTIGATIONS OF A GAY-BERNE LIQUID-CRYSTAL, Journal of the Chemical Society. Faraday transactions, 89(22), 1993, pp. 4069-4078
Citations number
43
Categorie Soggetti
Chemistry Physical","Physics, Atomic, Molecular & Chemical
Journal title
Journal of the Chemical Society. Faraday transactions → ACNP
ISSN journal
09565000
Volume
89
Issue
22
Year of publication
1993
Pages
4069 - 4078
Database
ISI
SICI code
0956-5000(1993)89:22<4069:MIOAGL>2.0.ZU;2-X
Abstract
We report extensive Monte Carlo simulations of two systems with 512 an d 1000 particles interacting with a Gay-Berne potential with strength parameters (mu = 1, nu = 3) that enhance the side-by-side and end-to-e nd interactions between the particles. We show that the system has a s mectic, nematic and isotropic phase and we calculate the order paramet ers < P-2 >, < P-4 >, the intermolecular vector distribution and other relevant observables as a function of temperature at a scaled density p() = 0.30.