COMPUTER-SIMULATION OF CHIRAL LIQUID-CRYSTAL PHASES - VII - THE CHIRAL GAY-BERNE DISCOGEN

Authors
Citation
R. Memmer, COMPUTER-SIMULATION OF CHIRAL LIQUID-CRYSTAL PHASES - VII - THE CHIRAL GAY-BERNE DISCOGEN, Berichte der Bunsengesellschaft fur Physikalische Chemie, 102(8), 1998, pp. 1002-1010
Citations number
31
Categorie Soggetti
Chemistry Physical
Journal title
Berichte der Bunsengesellschaft fur Physikalische Chemie
ISSN journal
00059021 → ACNP
Volume
102
Issue
8
Year of publication
1998
Pages
1002 - 1010
Database
ISI
SICI code
0005-9021(1998)102:8<1002:COCLP->2.0.ZU;2-S
Abstract
The phase structures of chiral discotic liquid crystals were studied b y computer simulations. Bulk systems composed of uniaxial chiral disco tic molecules with interactions described by the Gay-Berne potential a nd an additive term for the energy of the chiral interaction were inve stigated using Monte Carlo (MC) simulations in the NVT ensemble. A dis cotic cholesteric phase (N-D) and a discotic blue phase (BPDII) were observed along an isotherm in dependence on the chirality parameter de scribing the strength of the chiral interaction. All phases were chara cterised by order parameters, scalar and pseudoscalar orientational co rrelation functions, and visual representations of selected configurat ions.