<br>主动-被动手性棒混合物中手性晶相的稳定性和胆甾相的分解,Soft Matter

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主动-被动手性棒混合物中手性晶相的稳定性和胆甾相的分解
Soft Matter ( IF 2.9 ) Pub Date : 2024-02-21 , DOI: 10.1039/d3sm01567j
Jayeeta Chattopadhyay ₁ , Jaydeep Mandal ₁ , Prabal K Maiti ₁

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在这项研究中，我们旨在探索手性对两温标量活动驱动的活性螺旋粒子相行为的影响。我们首先使用分子动力学（MD）模拟计算各种本征手性的软螺旋粒子的状态方程。在平衡状态下，出现各种液晶（LC）相，如向列相（ N ）、胆甾相 Image ID:d3sm01567j-t1.gif

、近晶 (Sm) 和晶体 ( K ) 关键取决于引起平面排列的壁的存在。接下来，我们通过双温度模型引入活动：不断增加一半螺旋粒子（标记为“热”粒子）的温度，同时将另一半螺旋粒子（标记为“冷”粒子）的温度保持在较低值。从均匀各向同性 ( I ) 相开始，我们发现 2-TIPS 的出现：热颗粒和冷颗粒之间的两种温度诱导的相分离。我们还观察到，即使没有壁，冷颗粒也会经历向各种液晶相的有序转变。这一观察结果表明，活性系统中的冷热界面通过诱导冷粒子的排列方向，在平衡系统中发挥着壁的作用。然而，在胆甾相的情况下，我们观察到活性破坏了 Image ID:d3sm01567j-t2.gif

通过在冷区诱导近晶有序而在热区诱导各向同性结构。冷区的近晶有序最终转变为具有足够高活性的手性晶相。

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Stability of the chiral crystal phase and breakdown of the cholesteric phase in mixtures of active–passive chiral rods

In this study, we aim to explore the effect of chirality on the phase behavior of active helical particles driven by two-temperature scalar activity. We first calculate the equation of state of soft helical particles of various intrinsic chiralities using molecular dynamics (MD) simulation. In equilibrium, the emergence of various liquid crystal (LC) phases such as nematic (N), cholesteric Image ID:d3sm01567j-t1.gif

, smectic (Sm) and crystal (K) crucially depends on the presence of walls that induce planar alignment. Next, we introduce activity through the two-temperature model: keep increasing the temperature of half of the helical particles (labeled as ‘hot’ particles) while maintaining the temperature of the other half at a lower value (labeled as ‘cold’ particles). Starting from a homogeneous isotropic (I) phase, we find the emergence of 2-TIPS: two temperature-induced phase separations between the hot and cold particles. We also observe that the cold particles undergo an ordering transition to various LC phases even in the absence of a wall. This observation reveals that the hot–cold interface in the active system plays the role of a wall in the equilibrium system by inducing an alignment direction for the cold particles. However, in the case of a cholesteric phase, we observe that activity destabilizes the Image ID:d3sm01567j-t2.gif

phase by inducing smectic ordering in the cold zone while an isotropic structure in the hot zone. The smectic ordering in the cold zone eventually transforms to a chiral crystal phase with high enough activity.

更新日期：2024-02-21

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