A Four-Site Model for Elongated Liquid Crystal Molecules
Document Type
Article
Publication Date
10-22-2000
Department
Physics and Astronomy
Abstract
Molecular dynamics simulation is performed for linear liquid crystal molecules using a four-site model. The model consists of four Lennard-Jones centers which are bonded together via central potentials in a shish-kebab shape. When the molecules are left under their own vapor pressure, they exhibit isotropic and smectic B phases with no intervening nematic phase. A wall consisting of frozen Lennard-Jones centers is shown to anchor the molecules and to widen the range of the smectic regime. This demonstrates that the model can be used for molecular dynamics studies on liquid crystals in various polymer matrices. (C) 2000 American Institute of Physics. [S0021-9606(00)50940-4].
Publication Title
Journal of Chemical Physics
Volume
113
Issue
16
First Page
6943
Last Page
6949
Recommended Citation
Lee, J.
(2000). A Four-Site Model for Elongated Liquid Crystal Molecules. Journal of Chemical Physics, 113(16), 6943-6949.
Available at: https://aquila.usm.edu/fac_pubs/4079