利用多粒子碰撞动力学研究纠缠的向列化合物。

IF 2.9 3区 化学 Q3 CHEMISTRY, PHYSICAL
Soft Matter Pub Date : 2024-08-22 DOI:10.1039/D4SM00436A
Louise C. Head, Yair A. G. Fosado, Davide Marenduzzo and Tyler N. Shendruk
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引用次数: 0

摘要

分散在向列液晶中的胶体会形成拓扑复合材料,其中胶体相关缺陷会介导相互作用,同时遵守基本的拓扑约束。要更好地实现这类材料的前景,需要采用数值方法,对动态和复杂情况下的向列内含物进行建模。我们采用一种中尺度方法,将胶体模拟为嵌入波动线粒体流体动力介质中的移动表面,以研究胶体纠缠的动力学。除了再现远场相互作用外,还解析了分离环的拓扑特性,以揭示其弛豫到基态期间的蜕变态和拓扑跃迁。固有的流体动力波动区分了以前未曾探索过的远离平衡的环绕状态,包括具有局部正绕组轮廓的构型。这种数值方法的适应性和精确性为研究胶体和拓扑缺陷在设计和非平衡状态下的动力学提供了广阔的前景。
本文章由计算机程序翻译,如有差异,请以英文原文为准。

Entangled nematic disclinations using multi-particle collision dynamics

Entangled nematic disclinations using multi-particle collision dynamics

Entangled nematic disclinations using multi-particle collision dynamics

Colloids dispersed in nematic liquid crystals form topological composites in which colloid-associated defects mediate interactions while adhering to fundamental topological constraints. Better realising the promise of such materials requires numerical methods that model nematic inclusions in dynamic and complex scenarios. We employ a mesoscale approach for simulating colloids as mobile surfaces embedded in a fluctuating nematohydrodynamic medium to study the kinetics of colloidal entanglement. In addition to reproducing far-field interactions, topological properties of disclination loops are resolved to reveal their metastable states and topological transitions during relaxation towards ground state. The intrinsic hydrodynamic fluctuations distinguish formerly unexplored far-from-equilibrium disclination states, including configurations with localised positive winding profiles. The adaptability and precision of this numerical approach offers promising avenues for studying the dynamics of colloids and topological defects in designed and out-of-equilibrium situations.

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来源期刊
Soft Matter
Soft Matter 工程技术-材料科学:综合
CiteScore
6.00
自引率
5.90%
发文量
891
审稿时长
1.9 months
期刊介绍: Where physics meets chemistry meets biology for fundamental soft matter research.
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