Mahajan Achal, Saintillan David
Department of Mechanical and Aerospace Engineering, University of California San Diego, La Jolla, California 92093, USA.
Phys Rev E. 2022 Jan;105(1-1):014608. doi: 10.1103/PhysRevE.105.014608.
We analyze the conformational dynamics and statistical properties of an active polymer model. The polymer is described as a freely jointed bead-rod chain subject to stochastic active force dipoles that act on the suspending solvent where they drive long-ranged fluid flows. Using Langevin simulations of isolated chains in unconfined domains, we show how the coupling of active flows with polymer conformations leads to emergent dynamics. Systems with contractile dipoles behave similarly to passive Brownian chains with enhanced fluctuations due to dipolar flows. In systems with extensile dipoles, however, our simulations uncover an active coil-stretch transition whereby the polymer spontaneously unfolds and stretches out in its own self-induced hydrodynamic flow, and we characterize this transition in terms of a dimensionless activity parameter comparing active dipolar forces to thermal fluctuations. We discuss our findings in the context of the classic coil-stretch transition of passive polymers in extensional flows and complement our simulations with a simple kinetic model for an active trimer.
我们分析了一种活性聚合物模型的构象动力学和统计特性。该聚合物被描述为一个自由连接的珠-杆链,受到随机活性力偶极的作用,这些力偶极作用于悬浮溶剂上,驱动长程流体流动。通过对无约束域中孤立链的朗之万模拟,我们展示了活性流与聚合物构象的耦合如何导致涌现动力学。具有收缩力偶极的系统表现类似于被动布朗链,由于偶极流导致波动增强。然而,在具有拉伸力偶极的系统中,我们的模拟揭示了一种活性的线圈-拉伸转变,即聚合物在其自身诱导的流体动力流中自发展开并伸展,并且我们根据将活性偶极力与热涨落进行比较的无量纲活性参数来表征这种转变。我们在被动聚合物在拉伸流中的经典线圈-拉伸转变的背景下讨论我们的发现,并用一个活性三聚体的简单动力学模型补充我们的模拟。