Progress in computer simulations of liquid crystals
نویسندگان
چکیده
منابع مشابه
Computer simulations of bent-core liquid crystals.
The phase behavior of model linear and bent-core molecules has been studied using isothermal-isobaric Monte Carlo computer simulations. The molecular model consists of seven Lennard-Jones spheres rigidly arranged in a "V" shape, with external bond angle, gamma. With gamma=0 degrees (linear molecules), we find isotropic, nematic, untilted smectic A, and two layered phases in which the molecules ...
متن کاملComputer simulation of liquid crystals
A review is presented of molecular and mesoscopic computer simulations of liquid crystalline systems. Molecular simulation approaches applied to such systems are described and the key findings for bulk phase behaviour are reported. Following this, recently developed lattice Boltzmann (LB) approaches to the mesoscale modelling of nemato-dynamics are reviewed. The article concludes with a discuss...
متن کاملComputer simulation of liquid crystals
We review recent progress in the computer simulation of liquid crystals, with special emphasis on hard particle models. Surprisingly, the simplest molecular models, taking account only of molecular size and shape, are sufficient to generate a wide variety of liquid crystalline phases, closely analogous to those observed in real life. Thermodynamic stability of different phases is very sensitive...
متن کاملSimulations of liquid crystals in Poiseuille flow
Lattice Boltzmann simulations are used to explore the behavior of liquid crystals subject to Poiseuille flow. In the nematic regime at low shear rates we find two possible steady state configurations of the director field. The selected state depends on both the shear rate and the history of the sample. For both director configurations there is clear evidence of shear-thinning, a decrease in the...
متن کاملComputer simulations of the ordering in a hybrid cylindrical film of nematic liquid crystals.
We present an investigation of the ordering in a nematic liquid-crystal film confined between two cylindrical surfaces with antagonistic (radial and planar) anchoring alignments. A Monte Carlo study of a Lebwohl-Lasher model with suitable boundary conditions has been performed to calculate the ordering and the molecular organization for different film thicknesses. The simulation results are com...
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ژورنال
عنوان ژورنال: International Reviews in Physical Chemistry
سال: 2005
ISSN: 0144-235X,1366-591X
DOI: 10.1080/01442350500361244