【摘要】 Monte Carlo模拟研究了两平行硬墙受限下各向异相的硬椭球液体形成的有序结构.墙壁对椭球粒子的过量吸附和椭球的长短径之比有关;对于高密度的椭球液体,它在一个临界的长短径之比a/b=2.9处达到最大值,表明在墙表面附近发生了取向有序.墙表面附近的密度分布和取向序参量进一步证实这结论.相同密度条件下体相中的取向序参量计算表明体相结构均为各向同性,这是由于体系的密度依然低于各向同性相向相列向转变的临界密度.该受限椭球液体中墙表面的取向有序是由墙面的几何受限所导致的.更多还原

【Abstract】 The ordering configurations of a fluid of anisotropic ellipsoids under the confinement of two apposing impenetrable walls are studied by Monte Carlo simulations.The excess adsorption of the fluid on the walls with respect to the aspect ratio has a maximum at the critical aspect ratio of 2.9 in high-density ellipsoid fluids,indicating an orientational ordering in the adjacent region of the walls,which is confirmed by probing into the density configurations and the orientational order parameter in the adjacent region of the walls for varying aspect ratios.In addition,the orientational order parameter in the bulk fluid at the same density is calculated,and it indicates an isotropic state as the bulk density is still below the bulk isotropic-to-nematic transition.Therefore,it can be concluded that the anisotropic ordering near the walls in the ellipsoid fluid that exhibits isotropic in the bulk is induced by the confinement effect of the walls.更多还原