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手性棒状颗粒的薄近晶型液晶原纤维。

Thin smectic liquid crystalline fibrils of chiral rodlike particles.

作者信息

Kuhnhold A, Tänzel V

机构信息

Institute of Physics, University of Freiburg, 79104 Freiburg (Breisgau), Germany.

出版信息

Phys Rev E. 2021 Aug;104(2-1):024703. doi: 10.1103/PhysRevE.104.024703.

Abstract

Inspired by recent experimental work on virus-polymer mixtures, we study the properties of thin smectic fibrils composed of chiral rodlike particles using Monte Carlo simulations. Due to the interplay between surface energy, elastic deformation energy, and entropic effects, the fibril's layers relax into a twisted state. We focus our study on the layers' twist direction and map our results to the antiferromagnetic Ising model. In this view, the chiral interaction mimics an external field that drives the layers to have the same sense of twist. Besides, we determine the free energy difference and barrier height between an alternating and a nonalternating sequence of twisted layers composed of achiral rods and find that an alternating sequence is slightly preferred. We also see that the fibrils contract on increasing the chiral interaction strength and think that further studies on self-assembled functional materials can use our results.

摘要

受近期病毒 - 聚合物混合物实验工作的启发,我们使用蒙特卡罗模拟研究了由手性棒状颗粒组成的薄近晶纤维的性质。由于表面能、弹性变形能和熵效应之间的相互作用,纤维层松弛成扭曲状态。我们将研究重点放在层的扭曲方向上,并将结果映射到反铁磁伊辛模型。从这个角度来看,手性相互作用模拟了一个驱动层具有相同扭曲方向的外场。此外,我们确定了由非手性棒组成的扭曲层的交替和非交替序列之间的自由能差和势垒高度,发现交替序列略占优势。我们还发现,随着手性相互作用强度的增加,纤维会收缩,并认为对自组装功能材料的进一步研究可以利用我们的结果。

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