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Computer simulation of the glass transition of polymer melts

  • K. Binder
  • W. Paul
  • H. P. Wittmann
  • J. Baschnagel
  • K. Kremer
  • D. W. Heermann
Chapter
Part of the Progress in Colloid & Polymer Science book series (PROGCOLLOID, volume 91)

Abstract

Bond fluctuation models on square and simple cubic lattices at melt densities are simulated, using potentials depending on the length of the (effective) bond (and also on the bond angle, in d=3 dimensions). Various relaxation functions have the Kohlrausch-Williams-Watts (KWW) form; the associated relaxation time diverges as exp (const/T 2) in d=2 and as exp [const/TT 0)] in d=3. For d=3 the self-diffusion constant also follows the Vogel-Fulcher law, with T 0=250 K for chain lengths N=20 and potentials adapted to bisphenol-A-polycarbonate [BPA-PC].

Key words

Glass transition Monte Carlo method bond fluctuation model self-diffusion 

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Copyright information

© Dr. Dietrich Steinkopff Verlag GmbH & Co. KG 1993

Authors and Affiliations

  • K. Binder
    • 3
  • W. Paul
    • 3
  • H. P. Wittmann
    • 3
  • J. Baschnagel
    • 3
  • K. Kremer
    • 1
  • D. W. Heermann
    • 2
  1. 1.IFF, Forschungszentrum JülichFRG
  2. 2.Institut für Theoretische PhysikUniversität HeidelbergFRG
  3. 3.Institute für PhysikJohannes Gutenberg-Universität MainzMainzFRG

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