斑块椭球的两阶段组装：从弯核粒子到液晶类似物
Two-stage assembly of patchy ellipses: From bent-core particlesto liquid crystal analogs
AI总结：
本文研究斑块椭球体经弯核二聚体中间态组装为液晶相的两步过程，通过分子动力学和蒙特卡洛模拟优化弯核单元并绘制温度-密度状态图，揭示不同液晶相的主导区域。
摘要：
我们研究了胶体斑块椭球体的二维行为，这些椭球体经过专门设计，遵循从单体状态到介观液晶相的两步组装过程，并在中间阶段形成所谓的弯核单元。我们的模型包含通过Gay-Berne势相互作用并被表面斑块修饰的椭圆二元混合物，其中二元组分互为镜像变体——根据斑块位置分别称为左手性和右手性椭圆。表面斑块的设计使得在组装的第一阶段，单体形成弯核单元，即具有特定弯曲角的V形二聚体。作用于椭圆之间的Gay-Berne相互作用驱动二聚体随后形成弯核液晶中观察到的特征相。我们通过分子动力学和蒙特卡洛模拟对上述两步过程进行了数值研究：首先优化目标弯核单元，然后完整表征其在温度和密度下的状态图，确定不同液晶相占主导的区域。
英文摘要：
We investigate the two-dimensional behavior of colloidal patchy ellipsoids specifically designed to follow a two-step assembly process from the monomer state to mesoscopic liquid-crystal phases, via the formation of so-called bent-core units at the intermediate stage. Our model comprises a binary mixture of ellipses interacting via the Gay-Berne potential and decorated by surface patches, with the binary components being mirror-image variants of each other - referred to as left-handed and right-handed ellipses according to the position of their patches. The surface patches are designed so as in the first stage of the assembly the monomers form bent-cores units, i.e. V-shaped dimers with a specific bent angle. The Gay-Berne interactions, which act between the ellipses, drive the dimers to subsequently form the characteristic phase observed in bent-core liquid crystals. We numerically investigate -- by means of both Molecular Dynamics and Monte Carlo simulations -- the described two-step process: we first optimize a target bent-core unit and we then fully characterize its state diagram in temperature and density, defining the regions where the different liquid crystalline phases dominate.
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