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Studying Large Amplitude Oscillatory Shear Response of Soft Materials
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Tethered Semiflexible Polymer under Large Amplitude Oscillatory Shear.

Antonio Lamura1, Roland G Winkler2

  • 1Istituto Applicazioni Calcolo, CNR, Via Amendola 122/D, 70126 Bari, Italy. antonio.lamura@cnr.it.

Polymers
|April 26, 2019
PubMed
Summary

Tethered semiflexible polymers exhibit nonlinear behavior under oscillatory shear flow. Simulations reveal polymer shrinkage and modified dynamics, including frequency doubling and even-odd asymmetry in correlation functions at high shear rates.

Keywords:
LAOSmesoscale simulationsnonequilibrium simulationspolymer dynamics

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Area of Science:

  • Polymer Physics
  • Soft Matter Physics
  • Computational Fluid Dynamics

Background:

  • Semiflexible polymers are crucial in biological systems and materials science.
  • Understanding polymer dynamics under external flow is essential for predicting material properties.
  • Tethered polymers exhibit unique behaviors compared to free polymers.

Purpose of the Study:

  • To investigate the behavior of semiflexible polymers with fixed ends under oscillatory shear flow.
  • To explore the transition from linear to nonlinear responses with increasing shear rates.
  • To analyze the dynamic and structural changes induced by shear flow.

Main Methods:

  • Simulations using a linear bead-spring chain model for the polymer.
  • Brownian multiparticle collision dynamics approach to model fluid-polymer interaction.
  • Analysis of polymer conformation, center-of-mass position, and correlation functions.

Main Results:

  • Linear oscillatory response at low shear rates.
  • Strongly nonlinear behavior at high shear rates, including polymer wrapping and shrinkage.
  • Center-of-mass position probability distribution forms a limaçon-like curve.
  • Shear-induced frequency doubling in normal-mode correlation functions.
  • Appearance of even-odd asymmetry in correlation functions.

Conclusions:

  • Tethered semiflexible polymers display complex nonlinear dynamics under oscillatory shear.
  • The confinement and fixed ends significantly alter polymer response compared to free polymers.
  • Simulation results provide insights into shear-induced structural and dynamic modifications.