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主动-被动手性棒混合物中手性晶体相的稳定性及胆甾相的分解

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

作者信息

Chattopadhyay Jayeeta, Mandal Jaydeep, Maiti Prabal K

机构信息

Centre for Condensed Matter Theory, Department of Physics, Indian Institute of Science, Bangalore 560012, India.

出版信息

Soft Matter. 2024 Mar 13;20(11):2464-2473. doi: 10.1039/d3sm01567j.

DOI:10.1039/d3sm01567j
PMID:38381111
Abstract

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 (), cholesteric , smectic (Sm) and crystal () 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 () 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 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.

摘要

在本研究中,我们旨在探究手性对由双温标量活性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)模拟计算了具有各种固有手性的软螺旋粒子的状态方程。在平衡状态下,各种液晶(LC)相(如向列相(N)、胆甾相(Ch)、近晶相(Sm)和晶相(Cr))的出现关键取决于诱导平面排列的壁的存在。接下来,我们通过双温模型引入活性:持续升高一半螺旋粒子(标记为“热”粒子)的温度,同时将另一半粒子的温度保持在较低值(标记为“冷”粒子)。从均匀各向同性(I)相开始,我们发现出现了2-TIPS:热粒子和冷粒子之间的两种温度诱导相分离。我们还观察到,即使没有壁,冷粒子也会经历有序转变形成各种LC相。这一观察结果表明,活性系统中的热-冷界面通过为冷粒子诱导排列方向,起到了平衡系统中壁的作用。然而,在胆甾相的情况下,我们观察到活性通过在冷区诱导近晶有序而在热区诱导各向同性结构,从而使该相不稳定。冷区的近晶有序最终在足够高的活性下转变为手性晶相。

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Soft Matter. 2024 Mar 13;20(11):2464-2473. doi: 10.1039/d3sm01567j.
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