论文标题
环和线性聚合物纠缠溶液中的动力纠缠和合作动力学
Dynamical Entanglement and Cooperative Dynamics in Entangled Solutions of Ring and Linear Polymers
论文作者
论文摘要
在许多领域，了解纠缠如何影响聚合物复合液的行为是一个开放的挑战。为了阐明密集聚合物溶液中纠缠的性质和后果，我们提出了一种新方法：一种“动态纠缠分析”（DEA），以提取从纠缠链的成对位移相关性中提取时空纠缠结构。通过将此方法应用于线性和未结的非诊断环聚合物的大规模分子动力学模拟，我们发现了一个强大而出乎意料的合作动力学：纠缠链之间相互夹带的足迹。我们表明，DEA是一种强大而敏感的探针，揭示了以前未引起的且依赖于架构的时空结构的聚合物解决方案中的时空结构。我们还提出了我们分析的平均场近似值，该近似值提供了先前对通用纠缠聚合物动力学的物理见解。我们设想DEA将有助于分析通用聚合系统（例如混合物和复合材料）中纠缠的动态演变。
Understanding how entanglements affect the behaviour of polymeric complex fluids is an open challenge in many fields. To elucidate the nature and consequence of entanglements in dense polymer solutions, we propose a novel method: a "dynamical entanglement analysis" (DEA) to extract spatio-temporal entanglement structures from the pair-wise displacement correlation of entangled chains. By applying this method to large-scale Molecular Dynamics simulations of linear and unknotted, nonconcatenated ring polymers, we find a strong and unexpected cooperative dynamics: the footprint of mutual entrainment between entangled chains. We show that DEA is a powerful and sensitive probe that reveals previously unnoticed, and architecture-dependent, spatio-temporal structures of dynamical entanglement in polymeric solutions. We also propose a mean-field approximation of our analysis which provides previously under-appreciated physical insights into the dynamics of generic entangled polymers. We envisage DEA will be useful to analyse the dynamical evolution of entanglements in generic polymeric systems such as blends and composites.
