论文标题

具有流体动力相互作用的活性布朗丝:构象和动力学

Active Brownian filaments with hydrodynamic interactions: conformations and dynamics

论文作者

Martin-Gomez, Aitor, Eisenstecken, Thomas, Gompper, Gerhard, Winkler, Roland G.

论文摘要

在存在流体动力相互作用的情况下,通过布朗动力学模拟和分析理论,研究了主动自旋细丝/聚合物的构象和动力学特性。从数值上讲,在分析上考虑了由活性布朗颗粒组成的离散线性链,是一种连续的线性半灵性聚合物,具有活性速度扩散性变化。主动单体的无力性质被解释了 - 没有由活性力诱导的stokeslet流体流动 - 高阶流体动力多极矩被忽略。活动过程的非平衡特征意味着通过聚合物松弛时间在HI上的固定态性质的依赖性。特别是,在适度的活动中,HI导致柔性和半循环聚合物的大幅收缩,远远超出了可比的自由流血聚合物的收缩。即使是灵活的高聚合物,也可以单调的自由流血聚合物肿胀。然而,大型活动意味着与非HI聚合物相比,由于流体动力相互作用而引起的较短的聚合物松弛时间引起的重新流动程度。聚合物均方根位移得到增强,并出现了活性确定的弹道式状态。在广泛的时间尺度上,柔性活性聚合物表现出流体动力学控制的副延伸状态,其指数明显小于被动聚合物的Rouse和Zimm模型。与模拟相比,近似分析方法预测流体动力效应较弱。

The conformational and dynamical properties of active self-propelled filaments/polymers are investigated in the presence of hydrodynamic interactions by both, Brownian dynamics simulations and analytical theory. Numerically, a discrete linear chain composed of active Brownian particles is considered, analytically, a continuous linear semiflexible polymer with active velocities changing diffusively. The force-free nature of active monomers is accounted for - no Stokeslet fluid flow induced by active forces - and higher order hydrodynamic multipole moments are neglected. The nonequilibrium character of the active process implies a dependence of the stationary-state properties on HI via the polymer relaxation times. In particular, at moderate activities, HI lead to a substantial shrinkage of flexible and semiflexible polymers to an extent far beyond shrinkage of comparable free-draining polymers; even flexible HI-polymers shrink, while active free-draining polymers swell monotonically. Large activities imply a reswelling, however, to a less extent than for non-HI polymers, caused by the shorter polymer relaxation times due to hydrodynamic interactions. The polymer mean square displacement is enhanced, and an activity-determined ballistic regime appears. Over a wide range of time scales, flexible active polymers exhibit a hydrodynamically governed subdiffusive regime, with an exponent significantly smaller than that of the Rouse and Zimm models of passive polymers. Compared to simulations, the approximate analytical approach predicts a weaker hydrodynamic effect.

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