Active Brownian filaments with hydrodynamic interactions: conformations and dynamics

被引:44
|
作者
Martin-Gomez, Aitor [1 ,2 ]
Eisenstecken, Thomas [1 ,2 ]
Gompper, Gerhard [1 ,2 ]
Winkler, Roland G. [1 ,2 ]
机构
[1] Forschungszentrum Julich, Inst Adv Simulat, Theoret Soft Matter & Biophys, D-52425 Julich, Germany
[2] Forschungszentrum Julich, Inst Complex Syst, D-52425 Julich, Germany
关键词
DILUTE-SOLUTION; CHAINS; BEHAVIOR; ROTATION; MOTION; MODEL; STIFF;
D O I
10.1039/c9sm00391f
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
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. Hence, fluid-mediated interactions are assumed to arise solely due to intramolecular forces. The hydrodynamic interactions (HI) are taken into account analytically by the preaveraged Oseen tensor, and numerically by the Rotne-Prager-Yamakawa tensor. The non-equilibrium 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 analytical approach predicts a weaker hydrodynamic effect. Overall, hydrodynamic interactions modify the conformational and dynamical properties of active polymers substantially.
引用
收藏
页码:3957 / 3969
页数:13
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