Monte Carlo study of the ordering in a strongly frustrated liquid crystal.
Monte Carlo study of the ordering in a strongly frustrated liquid crystal.
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DOI：
10.1103/physreve.95.062126
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发表时间：
2017-05
期刊：
影响因子：
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通讯作者：
S. George;C. Bentham;X. Zeng;G. Ungar;G. Gehring
中科院分区：
文献类型：
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作者：
S. George;C. Bentham;X. Zeng;G. Ungar;G. Gehring
我们已经进行了Monte Carlo模拟，以调查的X形液晶分子的排列在一个六边形阵列的侧链的顺序的温度依赖性。每个六边形包含六个侧链，每个侧链来自六边形的每一侧。每个液晶分子有两个不同的侧链，一个含有硅，一个含有氟。相似的链比不同的链更强烈地相互吸引，这驱动了有序-无序的转变。该系统是令人沮丧的，因为它是不可能找到一个配置，其中所有的六边形被全部硅或全部氟链占据。有两个阶段的过渡。如果只考虑两两相互作用，我们发现在无序相和完全有序基态之间存在一个有趣的涨落相。这与在三个子晶格中的一个上观察到具有长程有序的中间相的实验不一致。协议被发现时，计算修改，包括有吸引力的硅链之间的三体相互作用。
We have performed Monte Carlo simulations to investigate the temperature dependence of the ordering of the side chains of the X-shaped liquid crystal molecules which are arranged in a hexagonal array. Each hexagon contains six side chains, one from each side of the hexagon. Each liquid crystal molecule has two, dissimilar, side chains, one that contains silicon and one that contains fluorine. Like chains attract each other more strongly than unlike chains and this drives an order-disorder transition. The system is frustrated because it is not possible to find a configuration in which all the hexagons are occupied by either all silicon or all fluorine chains. There are two phase transitions. If only pairwise interactions are included it is found that there is an interesting fluctuating phase between the disordered phase and the fully ordered ground state. This did not agree with the experiments where an intermediate phase was seen that had long range order on one of the three sublattices. Agreement was found when the calculations were modified to include attractive three-body interactions between the silicon chains.