Viscosities of the Gay-Berne nematic liquid crystal.

  title={Viscosities of the Gay-Berne nematic liquid crystal.},
  author={Smondyrev and Loriot and Pelcovits},
  journal={Physical review letters},
  volume={75 12},
  • Smondyrev, Loriot, Pelcovits
  • Published 3 May 1995
  • Materials Science, Medicine, Physics, Mathematics
  • Physical review letters
We present molecular dynamics simulation measurements of the viscosities of the Gay-Berne phenomenological model of liquid crystals in the nematic and isotropic phases. The temperature dependence of the rotational and shear viscosities, including the nonmonotonic behavior of one shear viscosity, are in good agreement with experimental data. The bulk viscosities are significantly larger than the shear viscosities, again in agreement with experiment. 
Glass formation in the Gay-Berne nematic liquid crystal
We present the results of molecular dynamics simulations of the Gay-Berne model of liquid crystals, supercooled from the nematic phase at constant pressure. We find a glass transition to a metastable
Evaluation of the viscosities of a liquid crystal model system by shear flow simulation
Abstract The three Miesowicz viscosities of a liquid crystal model system consisting of the Gay–Berne fluid have been obtained by shear flow simulations. The viscosities along an isochore have been
Calculation of the rotational viscosity of a nematic liquid crystal
Equilibrium molecular dynamics calculations have been performed for the liquid crystal molecule n-4-(trans-4-n-pentylcyclohexyl)benzonitrile (PCH5) using a fully atomistic model. Simulation data has
Rotational viscosities of Gay-Berne mesogens
Rotational viscosities γ1 are calculated for three Gay-Berne models for a wide range of state points in the nematic phase. There was a strong density dependence in the results, with γ1 increasing
Propagating director bend fluctuations in nematic liquid crystals.
It is shown that for a range of standard, coarse-grained, nematic liquid crystal models, the director bend fluctuation is a propagating mode, and it is concluded that propagating bend fluctuations may be observable in some experimental systems.
Computing the rotational viscosity of nematic liquid crystals by an atomistic molecular dynamics simulation
Abstract An atomistic simulation method is proposed for the computation of the rotational viscosity of nematic liquid crystals. The method is a non-equilibrium molecular dynamics (MD) in which the
Modified Lebwohl—Lasher Model for Investigation of Nematic — Isotropic Phase Transition in Liquid Crystals
Abstract We propose a lattice model of elongated molecules interacting via an angular part of the Berne-Pechukas potential. Monte Carlo simulations of this model are performed near the nematic to
Viscous Behavior and Shear-Induced Structural Changes in Perfectly Oriented Liquid Crystals
The anisotropy of the viscosity and shear-induced structural changes are studied via nonequilibrium molecular dynamics (NEMD) simulations for two types of model liquid crystals which possess both
Nonequilibrium-molecular-dynamics investigation of the presmectic behavior of the viscosities of a Gay-Berne nematic liquid crystal.
  • L. Bennett, S. Hess
  • Physics, Medicine
    Physical review. E, Statistical physics, plasmas, fluids, and related interdisciplinary topics
  • 1999
Using the method of nonequilibrium molecular dynamics, the behavior of the Miesowicz, Helfrich, and Leslie viscosities as functions of temperature and density are investigated. In particular,
Non‐equilibrium molecular‐dynamics measurement of the Leslie coefficients of a Gay–Berne nematic liquid crystal
Using non‐equilibrium molecular‐dynamics (MD) simulations, we have measured the six Leslie coefficients of a nematic liquid crystal composed of molecules interacting via the Gay–Berne potential. In


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