Confinement Induced Ordering in Fluid of Hard Ellipsoids

被引:8
作者
Miao, Han [1 ]
Ma, Hong-ru [2 ,3 ]
机构
[1] 18 High Sch Chongqing, Chongqing 400020, Peoples R China
[2] Shanghai Jiao Tong Univ, Sch Mech Engn, Shanghai 200240, Peoples R China
[3] Shanghai Jiao Tong Univ, Minist Educ, Key Lab Artificial Struct & Quantum Control, Shanghai 200240, Peoples R China
基金
中国国家自然科学基金;
关键词
Confinement; Ellipsoid; Monte Carlo; Isotropic-to-nematic; ISOTROPIC-NEMATIC TRANSITIONS; DENSITY-FUNCTIONAL THEORY; LIQUID-CRYSTAL FILMS; SPHERE FLUIDS; MONTE-CARLO; COMPUTER-SIMULATION; PHASE-TRANSITION; WALL; SYSTEM; PARTICLES;
D O I
10.1063/1674-0068/29/cjcp1506119
中图分类号
O64 [物理化学(理论化学)、化学物理学]; O56 [分子物理学、原子物理学];
学科分类号
070203 ; 070304 ; 081704 ; 1406 ;
摘要
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.
引用
收藏
页码:212 / 218
页数:7
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