二维锯齿形和弓形硬针的相序
Phase ordering of zig-zag and bow-shaped hard needles in two dimensions
摘要：
我们进行了广泛的蒙特卡罗模拟的二维弯曲硬针模型在其手征锯齿形和非手征弓形配置，并提出他们的相图。我们发现的各种稳定相的证据：各向同性，准，smectic-C，反铁态的smectic-A，和调制的，mysterious。这最后一个阶段由超分子拱形成的层组成。它们产生分子极性的周期性调制，其周期由分子几何形状敏感地控制。我们确定过渡密度使用关联函数连同适当定义的序参量，并将它们与Onsager理论的预测。讨论了分子排斥区对偏离Onsager理论和简单液晶相形态的贡献。我们证明了各向同性-准的过渡是一致的Kosterlitz无向错解约束力的情况。
英文摘要：
We perform extensive Monte Carlo simulations of a two-dimensional bent hard-needle model in both its chiral zig-zag and its achiral bow-shape configurations and present their phase diagrams. We find evidence for a variety of stable phases: isotropic, quasi-nematic, smectic-C, anti-ferromorphic smectic-A, and modulated-nematic. This last phase consists of layers formed by supramolecular arches. They create a periodic modulation of the molecular polarity whose period is sensitively controlled by molecular geometry. We identify transition densities using correlation functions together with appropriately defined order parameters and compare them with predictions from Onsager theory. The contribution of the molecular excluded area to deviations from Onsager theory and simple liquid crystal phase morphology is discussed. We demonstrate the isotropic--quasi-nematic transition to be consistent with a Kosterlitz-Thouless disclination unbinding scenario.
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