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Dynamical heterogeneity in periodically deformed polymer glasses.
1Department of Mechanical and Materials Engineering, Wright State University, Dayton, Ohio 45435, USA.
This study reveals that polymer chains in a model glass relax quickly under periodic shear deformation. Above a critical strain, mobile monomers form clusters, accelerating the relaxation process.
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Area of Science:
- Polymer Physics
- Materials Science
- Computational Chemistry
Background:
- Structural relaxation is crucial for understanding polymer glass behavior.
- Time-periodic shear deformation is a common external stimulus applied to materials.
Purpose of the Study:
- Investigate structural relaxation dynamics in polymer glasses under shear.
- Determine the effect of strain amplitude on relaxation time.
- Identify mechanisms driving relaxation.
Main Methods:
- Molecular dynamics simulations.
- Coarse-grained bead-spring polymer model.
- Analysis of segmental dynamics and monomer trajectories.
Main Results:
- Small strain amplitudes lead to nearly reversible dynamics.
- Large strain amplitudes induce full relaxation within 100 cycles.
- A critical strain amplitude marks a transition to fast relaxation.
- Dynamical susceptibility peaks at the critical strain.
- Mobile monomers form transient clusters, aiding neighbor mobility.
Conclusions:
- Polymer glass relaxation is highly sensitive to shear strain amplitude.
- Dynamically correlated monomers and cluster formation are key to accelerated relaxation.
- The findings provide insights into the mechanical response of amorphous polymers.