Tethered Semiflexible Polymer under Large Amplitude Oscillatory Shear

被引:7
|
作者
Lamura, Antonio [1 ]
Winkler, Roland G. [2 ]
机构
[1] CNR, Ist Applicaz Calcolo, Via Amendola 122-D, I-70126 Bari, Italy
[2] Forschungszentrum Julich, Inst Adv Simulat, Theoret Soft Matter & Biophys, D-52425 Julich, Germany
关键词
mesoscale simulations; nonequilibrium simulations; LAOS; polymer dynamics; MULTIPARTICLE COLLISION DYNAMICS; BROWNIAN DYNAMICS; HYDRODYNAMIC INTERACTION; RHEOLOGICAL PROPERTIES; EXCLUDED-VOLUME; FLOW; SIMULATIONS; CHAINS; DNA; MOLECULES;
D O I
10.3390/polym11040737
中图分类号
O63 [高分子化学(高聚物)];
学科分类号
070305 ; 080501 ; 081704 ;
摘要
The properties of a semiflexible polymer with fixed ends exposed to oscillatory shear flow are investigated by simulations. The two-dimensionally confined polymer is modeled as a linear bead-spring chain, and the interaction with the fluid is described by the Brownian multiparticle collision dynamics approach. For small shear rates, the tethering of the ends leads to a more-or-less linear oscillatory response. However, at high shear rates, we found a strongly nonlinear reaction, with a polymer (partially) wrapped around the fixation points. This leads to an overall shrinkage of the polymer. Dynamically, the location probability of the polymer center-of-mass position is largest on a spatial curve resembling a limacon, although with an inhomogeneous distribution. We found shear-induced modifications of the normal-mode correlation functions, with a frequency doubling at high shear rates. Interestingly, an even-odd asymmetry for the Cartesian components of the correlation functions appears, with rather similar spectra for odd x- and even y-modes and vice versa. Overall, our simulations yielded an intriguing nonlinear behavior of tethered semiflexible polymers under oscillatory shear flow.
引用
收藏
页数:15
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