| Results of molecular dynamics computer simulations are presented for a simple microscopic model of thermotropic liquid crystals. The system is composed of short semiflexible chains where the beads are connected by an anharmonic FENE spring. The inter-molecular bead-bead interactions are modelled by Lennard-Jones potentials, the attractive part is taken into account only between the stiff parts. Heating the system, solid, smectic A and liquid phases are found. For the symmetric molecules and anisotropic potentials studied first, the smectic A phase is clearly defined over a wide range of temperatures whereas the nematic phase is not present or too narrow in temperature to be seen clearly. The evolution of the systems has also been studied as function of the length of flexible parts and the strength of the stiff-stiff potential.
for LaTeX users @article{FAffouard1996-54,
author = {F. Affouard and M. Kr\"oger and S. Hess},
title = {Molecular dynamics of model liquid crystals composed of semiflexible molecules},
journal = {Phys. Rev. E},
volume = {54},
pages = {5178-5186},
year = {1996}
}
\bibitem{FAffouard1996-54} F. Affouard, M. Kr\"oger, S. Hess,
Molecular dynamics of model liquid crystals composed of semiflexible molecules,
Phys. Rev. E {\bf 54} (1996) 5178-5186.FAffouard1996-54
F. Affouard, M. Kr\"oger, S. Hess
Molecular dynamics of model liquid crystals composed of semiflexible molecules
Phys. Rev. E,54,1996,5178-5186 |
mk@mat.ethz.ch
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