Algebraic equations of state for the liquid crystalline phase behavior of hard rods.,Physical Review E

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Algebraic equations of state for the liquid crystalline phase behavior of hard rods.
Physical Review E ( IF 2.2 ) Pub Date : 2020-06-29 , DOI: 10.1103/physreve.101.062707
V F D Peters ₁ , M Vis _{1,

2} , H H Wensink ₃ , R Tuinier _{1,

4}

Affiliation

Based on simplifications of previous numerical calculations [H. Graf and H. Löwen, Phys. Rev. E 59, 1932 (1999)], we propose algebraic free energy expressions for the smectic-A liquid crystal phase and the crystal phases of hard spherocylinders. Quantitative agreement with simulations is found for the resulting equations of state. The free energy expressions can be used to straightforwardly compute the full phase behavior for all aspect ratios and to provide a suitable benchmark for exploring how attractive interrod interactions mediate the phase stability through perturbation approaches such as free-volume or van der Waals theory.

中文翻译：

硬棒液晶相行为的代数状态方程。

基于先前数值计算的简化[H. Graf和H.Löwen，物理学。启ê 59，1932年（1999年）]，我们提出了近晶-A液晶相代数自由能表达式和硬spherocylinders的晶相。发现与模拟的定量一致性，用于得出状态方程。自由能表达式可用于直接计算所有纵横比的全相行为，并为探索有吸引力的杆间相互作用如何通过扰动方法（例如自由体积或范德华理论）介导相稳定性提供合适的基准。

更新日期：2020-06-29

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