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首页> 外文期刊>The Journal of Chemical Physics >Confinement of two-dimensional rods in slit pores and square cavities
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Confinement of two-dimensional rods in slit pores and square cavities

机译:二维杆在狭缝孔和方腔中的约束

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摘要

Using Monte Carlo simulation, we analyse the behaviour of two-dimensional hard rods in four different types of geometric confinement: (i) a slit pore where the particles are confined between two parallel walls with homeotropic anchoring; (ii) a hybrid slit pore formed by a planar and a homeotropic wall; square cavities that frustrate the orientational order by imposing either (iii) homeotropic or (iv) planar wall anchoring. We present results for the state diagram as a function of the packing fraction and the degree of confinement. Under extreme confinement, unexpected states appear with lower symmetries than those of the corresponding stable states in bulk, such as the formation of states that break the anchoring constraints or the symmetry imposed by the surfaces. In both types of square cavities, the particles form disclinations at intermediate densities. At high densities, however, the elastic stress is relaxed via the formation of domain walls where the director rotates abruptly by 90 degrees C. (C) 2015 AIP Publishing LLC.
机译:使用蒙特卡洛模拟,我们分析了二维硬杆在四种不同类型的几何约束中的行为:(i)狭缝孔,其中颗粒通过垂直锚固被限制在两个平行壁之间; (ii)由平面的和垂直的壁形成的混合狭缝孔;通过施加(iii)垂直或(iv)平面墙锚固而破坏取向顺序的方形空腔。我们给出了状态图的结果,该结果是堆积率和约束程度的函数。在极端限制下,意外状态出现的对称性低于整体上相应稳定状态的对称性,例如破坏锚定约束的状态的形成或表面施加的对称性。在两种类型的方腔中,颗粒均以中等密度形成错位。但是,在高密度下,弹性应力会通过畴壁的形成而松弛,在该畴壁中,导向器会突然旋转90摄氏度。(C)2015 AIP Publishing LLC。

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