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Tethered Semiflexible Polymer under Large Amplitude Oscillatory Shear

1
Istituto Applicazioni Calcolo, CNR, Via Amendola 122/D, 70126 Bari, Italy
2
Theoretical Soft Matter and Biophysics, Institute for Advanced Simulation, Forschungszentrum Jülich, D-52425 Jülich, Germany
*
Authors to whom correspondence should be addressed.
Polymers 2019, 11(4), 737; https://doi.org/10.3390/polym11040737
Received: 27 March 2019 / Revised: 17 April 2019 / Accepted: 18 April 2019 / Published: 23 April 2019
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Abstract

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 limaçon, 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. View Full-Text
Keywords: mesoscale simulations; nonequilibrium simulations; LAOS; polymer dynamics mesoscale simulations; nonequilibrium simulations; LAOS; polymer dynamics
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This is an open access article distributed under the Creative Commons Attribution License which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited (CC BY 4.0).
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Lamura, A.; Winkler, R.G. Tethered Semiflexible Polymer under Large Amplitude Oscillatory Shear. Polymers 2019, 11, 737.

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