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| Titel: |
Computer simulation of chiral liquid crystal phases III. A cholesteric phase formed by chiral Gay—Berne atropisomers |
| Auteur: |
MEMMER, R. KUBALL, H.-G. SCHoNHOFER, A. |
| Verschenen in: |
Molecular physics |
| Paginering: | Jaargang 89 (1996) nr. 6 pagina's 1633-1649 |
| Jaar: |
1996-12-20 |
| Inhoud: |
The relation between molecular helicity and the handedness of cholesteric phases was studied investigating a model system of chiral atropisomers using Monte Carlo simulations in the NVT ensemble. The system under investigation was given by N = 256 rigid, chiral Gay—Berne atropisomers of point symmetry group D2. The molecular chirality of the atropisomers was introduced by joining two Gay—Berne particles through a bond with a suitable fixed dihedral angle. Starting from an isotropic configuration, cholesteric phases were obtained on equilibrating the systems whereby left-handed cholesterics were formed by atropisomers with M helicity and right-handed cholesterics by atropisomers with P helicity. All phases have been characterized by visual representations of selected configurations, correlation functions, and sets of four local order parameters. |
| Uitgever: |
Taylor & Francis |
| Bronbestand: |
Elektronische Wetenschappelijke Tijdschriften |
Details van artikel 4 van 17 gevonden artikelen
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