Crossover from Rouse to Reptation Dynamics: A Molecular-Dynamics Simulation

Kurt Kremer, Gary S. Grest, and I. Carmesin
Phys. Rev. Lett. 61, 566 – Published 1 August 1988
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Abstract

We present the results of an extensive molecular-dynamics simulation of a dense polymer system. We show for the first time that simulations are able to cover the whole regime from pure Rouse dynamics to reptation dynamics and give strong evidence of the latter. The mean square displacements clearly exhibit a t14 power law. A mode analysis shows that the high-frequency modes follow the Rouse relaxation while those at lower frequency display reptation relaxation. Both quantities give the same entanglement length.

  • Received 22 April 1988

DOI:https://doi.org/10.1103/PhysRevLett.61.566

©1988 American Physical Society

Authors & Affiliations

Kurt Kremer1, Gary S. Grest1,2, and I. Carmesin1,3

  • 1Institut für Physik, Universität Mainz, D-6500 Mainz, West Germany
  • 2Corporate Research Science Laboratory, Exxon Research and Engineering, Annandale, New Jersey 08801
  • 3Max Planck Institut für Polymere, D-6500 Mainz, West Germany

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Issue

Vol. 61, Iss. 5 — 1 August 1988

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