Self-assembly and self-organisation in fluctuating systems of dipolar colloids: Towards a coarse-grained theoretical description

偶极胶体波动系统中的自组装和自组织：走向粗粒度的理论描述

• 批准号: 449485571
• 负责人: Professorin Dr. Sabine Klapp
• 金额: --
• 依托单位: Institut für Theoretische Physik
• 依托单位国家: 德国
• 项目类别: Research Grants
• 资助国家: 德国
• 项目状态: 未结题
• 来源: https://gepris.dfg.de/gepris/projekt/449485571?language=en
• 关键词: Self; assembly; self; organisation; fluctuating

This project is concerned with the investigation of dynamical phenomena in selfassembled colloidal structures in equilibrium and in nonequilibrium. In the structures of interest, bonds between particles are not of chemical nature, but arise from directional, dipolar or multipolar, interactions. As a consequence, thermal fluctuations play a major role for play a major role for the relaxation dynamics, as well as for the self-organization in nonequilibrium. The investigations will be carried out based on computer simulations of suitable model systems without explicit solvent. The specific models considered are inspired by colloidal physics; however, self-assembly in presence of fluctuations also plays a key role in various biological contexts, such as protein assembly and aggregation of microorganisms. The main part of the project focuses on the formation of system-spanning networks and the corresponding relaxation dynamics towards equilibrium. Here, we will perform particle-resolved simulations to elucidate in detail the translational and orientational single-particle dynamics. The major goal, however, is to construct a coarse-grained, stochastic description of the dynamics based on a reduction of the continuous many-particle dynamics into a discrete set of states. For the self-assembling systems of interest, this is an innovative approach from which we expect a deeper understanding concerning relaxation times and the pathways of the aggregation process. Further, we will extend our research to the self-assembly (selforganization) of nonequilibrium dipolar systems, particularly the formation of clusters of active dipolar particles which involve a self-propulsion mechanism. Of particular interest is the role of orientational fluctuations and hydrodynamics. As a long-term goal, we also aim at developing coarse-graining strategies (based on state discretization) for such nonequilibrium systems.

本项目研究自组装胶体结构在平衡和非平衡状态下的动力学现象。在我们感兴趣的结构中，粒子之间的键不是化学性质的，而是由定向的、偶极或多极的相互作用产生的。因此，热波动对弛豫动力学和非平衡态的自组织起着重要的作用。研究将在没有显式溶剂的合适模型系统的计算机模拟基础上进行。所考虑的具体模型受到胶体物理的启发；然而，存在波动的自组装在各种生物环境中也起着关键作用，例如蛋白质组装和微生物聚集。该项目的主要部分侧重于系统跨越网络的形成和相应的平衡松弛动力学。在这里，我们将执行粒子分辨模拟，以详细阐明平移和定向的单粒子动力学。然而，主要目标是基于将连续的多粒子动力学简化为离散的状态集来构建一个粗粒度的随机动力学描述。对于感兴趣的自组装系统，这是一种创新的方法，我们期望从中更深入地了解弛豫时间和聚集过程的途径。此外，我们将把我们的研究扩展到非平衡偶极系统的自组装（自组织），特别是涉及自推进机制的活性偶极粒子簇的形成。特别令人感兴趣的是方向起伏和流体力学的作用。作为一个长期目标，我们也致力于为这种非平衡系统开发粗粒度策略（基于状态离散化）。