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
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.