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Semiflexible polymers under external fields confined to two dimensions
1Istituto Applicazioni Calcolo, CNR, Via Amendola 122/D, 70126 Bari, Italy. a.lamura@ba.iac.cnr.it
The Journal of Chemical Physics
|January 3, 2013
Summary
This study explores semiflexible polymers in 2D, finding their behavior under flow matches flexible polymers in 3D. Simulations reveal distinct extensions or contractions based on stiffness and alignment with flow.
Area of Science:
- Polymer Physics
- Soft Matter Physics
- Computational Materials Science
Background:
- Semiflexible polymers exhibit complex behavior due to chain stiffness.
- Understanding confined polymer dynamics is crucial for materials science.
- Non-equilibrium properties often deviate significantly from equilibrium predictions.
Purpose of the Study:
- Investigate non-equilibrium structural and dynamical properties of 2D semiflexible polymers.
- Analyze polymer response to external forces and flow.
- Compare simulation results with theoretical models.
Main Methods:
- Molecular dynamics simulations were employed.
- Simulations covered force-extension, relaxation, and shear flow scenarios.
- Analysis focused on structural changes and dynamical properties.
Main Results:
- Quantitative agreement with theoretical predictions for force-extension and relaxation.
- Polymers show flow-induced extension (less stiff) or contraction (stiff) under shear.
- Alignment with flow and tumbling times exhibit power-law dependence.
Conclusions:
- 2D semiflexible polymers under shear mimic 3D flexible polymers.
- Stiffness dictates response to shear flow.
- Simulations validate theoretical frameworks for confined polymers.
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