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Coarse-grained polymer models show compatibility in diffusion and chain dimensions. However, significant discrepancies exist in inter-chain correlations within the relaxation modulus, impacting long-term behavior predictions.

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Area of Science:

  • Polymer Physics
  • Computational Materials Science
  • Soft Matter Physics

Background:

  • Coarse-grained models are crucial for simulating long-term polymer dynamics.
  • Model compatibility is essential for reliable predictions but often overlooked.

Purpose of the Study:

  • To evaluate the compatibility of different coarse-grained polymer models.
  • To compare dynamical and static properties across models.

Main Methods:

  • Examined diffusion, relaxation modulus, chain dimension, and entanglement density.
  • Compared multi-chain slip-link and slip-spring models with the bead-spring model.

Main Results:

  • Models exhibit compatibility in diffusion and chain dimensions with scale-conversion parameters.
  • Relaxation modulus shows compatibility when accounting for entanglement density.
  • Significant discrepancies were found in inter-chain cross-correlations of the relaxation modulus.

Conclusions:

  • Coarse-grained models can be reconciled for certain properties, aiding simulation choices.
  • Discrepancies in relaxation modulus correlations highlight limitations in current model comparisons.