2B03 モデル液晶分子の定常せん断流れの分子動力学シミュレーション

概要

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Numerical simulations of the steady shear flows of a nematic phase are performed by using a nonequilibrium molecular dynamics. The SLLOD algorithm is developed for the application to the steady shear flows of ellipsoids of revolution that interact via the Gay-Berne potential. The system composed of particles interacting via the Gay-Berne potential forms various phases; isotropic, nematic, smectic and crystal ones. In a transient behaviour of orientation in a start-up of simple shear flow of a nematic phase, it is found that the order parameter significantly decreases as the director rotates rapidly. The director, however, is inclined at a nearly constant angle regardless of shear rate in a steady state. Furthermore, the rheological properties such as a shear viscosity and normal stress differences, are examined.
日本液晶学会の論文
1995-09-10