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首页> 外文期刊>Physical chemistry chemical physics: PCCP >Theory and simulation of biaxial nematic and orthogonal smectic phases formed by mixtures of board-like molecules
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Theory and simulation of biaxial nematic and orthogonal smectic phases formed by mixtures of board-like molecules

机译:板状分子混合物形成的双轴向列和正交近晶相的理论和模拟

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摘要

Variational cluster calculations and Monte Carlo simulations are applied to hard-body board-like models of biaxial molecules forming liquid crystalline phases. The molecular long axes are assumed for simplicity to be fully oriented. Depending on the extent of transverse anisometry in the molecular shape, these systems can exhibit biaxial nematic phases as well as uniaxial and biaxial orthogonal smectic phases. It is shown that the region of thermodynamic stability for the biaxial nematic phase is considerably broadened in binary mixtures of molecules with the same cross section but differing in their long dimension. [References: 62]
机译:变分簇计算和蒙特卡洛模拟应用于形成液晶相的双轴分子的硬板状模型。为了简单起见,假定分子长轴完全取向。取决于分子形状中的横向等规度的程度,这些系统可以表现出双轴向列相以及单轴和双轴正交近晶相。结果表明,在具有相同横截面但长尺寸不同的分子的二元混合物中,双轴向列相的热力学稳定性区域显着扩大。 [参考:62]

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