论文标题
硬质楔形系统中的splay诱导顺序
Splay-induced order in systems of hard wedges
论文作者
论文摘要
我们研究了使用硬粒子蒙特卡洛模拟组成的平衡系统。每个模型分子由六个二元切线切线组成，线性降低直径。因此，该形状由单个参数$ d $：球体最小和最大的直径的比例明确描述。将系统的阶段分析为$ d $和包装密度$η$的函数。由于相互作用纯粹是排除体积类型的，因此，紧急阶段仅受构型熵的控制。对于$η<0.5 $，除了各向同性液体外，我们还观察到标准的列和近晶液液晶相。但是，除了普通的非极性六角晶体外，以$η> 0.5 $，出现了三个新的沮丧的极性晶体，带有散布调制的极性晶体相位：防fiferroelectric splay crystal（$ \ text {cr} _ \ text {s} {s} {s} {s} \ text {p} （$ \ text {cr} _ \ text {ds} \ text {p} _ \ text {a} $）和ferroelectric double splay crystal（$ \ text {cr} _ \ text {cr text {ds} {ds} \ text {p}所有配置均以列表，近晶和六角阶参数以及径向分布函数和极化相关函数进行研究。
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 ($\text{Cr}_\text{S}\text{P}_\text{A}$), antiferroelectric double splay crystal ($\text{Cr}_\text{DS}\text{P}_\text{A}$) and ferroelectric double splay crystal ($\text{Cr}_\text{DS}\text{P}_\text{F}$). 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.
