论文标题

活性布朗颗粒的标记粒子运动的模式耦合理论

Mode-Coupling Theory for Tagged-Particle Motion of Active Brownian Particles

论文作者

Reichert, Julian, Mandal, Suvendu, Voigtmann, Thomas

论文摘要

我们得出一种模式耦合理论(MCT),以描述两个空间维度的活性布朗颗粒(ABP)密集系统中示踪剂颗粒的动力学。 ABP经历了翻译和旋转的布朗动力学,并配备了沿其定向矢量的固定自我刺激速度,描述了它们的主动运动。标记的粒子密度相关函数的最终运动方程描述了接近玻璃跃迁的示踪动力学的各种情况:ABP悬浮液中的被动胶体粒子的示踪剂动力学方程,在ABP的悬浮液中,玻璃形成无源宿主悬架中的单个活性粒子和活性颗粒浴中的活性示踪剂的单个活性粒子。对于这些情况,假设粒子之间的硬球相互作用给出了数值结果。该理论的定性和定量准确性对活动驱动的布朗动力学(ED-BD)的模拟进行了测试。在定量一致性中发现了模拟和理论,只要一个人调整了整体密度(从玻璃动力学的被动描述中知道),并允许在主动宿主系统中重新缩放自我刺激速度。这些调整解释了ABP-MCT通常高估动力学停滞趋势的事实。我们还在模拟中确认了瞬时和固定动力学密度相关函数的特征,这些特征涉及它们在时间逆转下缺乏对称性的功能,证明了系统的非平衡性质及其在理论中的表现方式。

We derive a mode-coupling theory (MCT) to describe the dynamics of tracer particles in dense systems of active Brownian particles (ABPs) in two spatial dimensions. The ABP undergo translational and rotational Brownian dynamics, and are equipped with a fixed self-propulsion speed along their orientational vector that describes their active motility. The resulting equations of motion for the tagged-particle density correlation functions describe the various cases of tracer dynamics close to the glass transition: that of a passive colloidal particle in a suspension of ABP, that of a single active particle in a glass-forming passive host suspensions, and that of active tracers in a bath of active particles. Numerical results are presented for these cases assuming hard-sphere interactions among the particles. The qualitative and quantitative accuracy of the theory is tested against event-driven Brownian dynamics (ED-BD) simulations of active and passive hard disks. Simulation and theory are found in quantitative agreement, provided one adjusts the overall density (as known from the passive description of glassy dynamics), and allows for a rescaling of self-propulsion velocities in the active host system. These adjustments account for the fact that ABP-MCT generally overestimates the tendency for kinetic arrest. We also confirm in the simulations a peculiar feature of the transient and stationary dynamical density correlation functions regarding their lack of symmetry under time reversal, demonstrating the non-equilibrium nature of the system and how it manifests itself in the theory.

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