Papers › Splay-induced order in systems of hard wedges
Splay-induced order in systems of hard wedges
Piotr Kubala, Michał Cieśla, Lech Longa
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We studied equilibrium systems composed of wedge-shaped monodisperse molecules using hard-particle Monte Carlo simulations. Each model molecule was made up of six colinear tangent spheres with linearly decreasing diameters. Thus, the shape was unequivocally described by a single parameter d: the ratio of the smallest and largest diameters of the spheres. The phases of the systems were analyzed as a function of d and packing density η. As interactions were purely of the excluded volume type, the emergent phases were governed solely by the configurational entropy. For η< 0.5, in addition to the isotropic liquid, we observed standard nematic and smectic A liquid crystalline phases. However, for η> 0.5, apart from the ordinary non-polar hexagonal crystal, three new frustrated polar crystalline phases with splay modulation appeared: antiferroelectric splay crystal (Cr_SP_A), antiferroelectric double splay crystal (Cr_(DS)P_A) and ferroelectric double splay crystal (Cr_(DS)P_F). All configurations were studied in terms of nematic, smectic, and hexatic order parameters, as well as the radial distribution function and the polarization correlation function.
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