基于长程色散相互作用的介晶晶格模型的计算机模拟研究
Computer simulation study of a mesogenic lattice model based on long-range dispersion interactions
摘要：
与热致性双轴向列相（已经获得了一些长期寻求的实验实现）相反，其四面体和立方相的实验实现尚未为人所知，分别涉及3级和4级的取向顺序，也在理论上进行了研究在过去的几十年里。在以前的研究中，已经发现了由具有立方或近似立方的四方对称或正交对称的粒子组成的硬核或连续模型的立方有序;在少数情况下，涉及单轴（$D_{\infty h}-$对称）粒子的硬核模型也被认为产生了立方有序。在这里，我们解决的蒙特卡罗模拟的单轴粒子耦合的长程色散相互作用的伦敦-德布尔-海勒型的晶格模型，该模型被发现产生没有二阶的立方阶，但只有四阶的立方阶，相反，它的对应物与截断在最近的邻居分离的相互作用长期已知的立方行为。
英文摘要：
In contrast to thermotropic biaxial nematic phases, for which some long sought for experimental realizations have been obtained, no experimental realizations are yet known for their tetrahedratic and cubatic counterparts,involving orientational orders of ranks 3 and 4, respectively, also studied theoretically over the last few decades. In previous studies, cubatic order has been found for hard-core or continuous models consisting of particles possessing cubic or nearly-cubic tetragonal or orthorhombic symmetries; in a few cases, hard-core models involving uniaxial ($D_{\infty h}-$symmetric) particles have been claimed to produce cubatic order as well. Here we address by Monte Carlo simulation a lattice model consisting of uniaxial particles coupled by long-range dispersion interactions of the London-De Boer-Heller type; the model was found to produce no second-rank nematic but only fourth-rank cubatic order, in contrast to the nematic behavior long known for its counterpart with interactions truncated at nearest-neighbor separation.
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