A Monte Carlo study of the glass transition in three-dimensional polymer melts

Wittkop, Markus and Hölzl, Thomas and Kreitmeier, Stefan and Göritz, Dietmar (1996) A Monte Carlo study of the glass transition in three-dimensional polymer melts. JOURNAL OF NON-CRYSTALLINE SOLIDS, 201 (3). pp. 199-210. ISSN 0022-3093, 1873-4812

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Abstract

The glass transition of densely packed linear polymer chains has been investigated by means of the three-dimensional bond-fluctuation model including van der Waals interaction and bond-length potential. The computer simulations presented here are based on different chain-lengths, cooling rates, and a wide range of temperatures. All monitored static and dynamic properties of the polymer melt change distinctly at one characteristic temperature, identified as T-g. Variations of the chain-length from 50 up to 200 monomers per chain yield nearly identical behavior, while an increase of the cooling rate from Gamma(Q) = 2.7 x 10(-8) MCS(-1) (Monte Carlo steps) to infinity causes pronounced differences below T-g both in static and dynamic properties.

Item Type: Article
Uncontrolled Keywords: MOLECULAR-DYNAMICS SIMULATION; AROMATIC-POLYSULFONE SYSTEM; LATTICE MULTICHAIN SYSTEMS; BULK AMORPHOUS POLYMERS; BOND FLUCTUATION METHOD; BETA-RELAXATION PROCESS; SHORT-TIME DYNAMICS; LOCAL CHAIN MOTION; PLASTIC-DEFORMATION; SUPERCOOLED LIQUIDS
Subjects: 500 Science > 530 Physics
Divisions: Physics > Institute of Experimental and Applied Physics > Alumni or Retired Professors > Group Dietmar Göritz
Depositing User: Dr. Gernot Deinzer
Date Deposited: 06 Jul 2023 04:59
Last Modified: 06 Jul 2023 04:59
URI: https://pred.uni-regensburg.de/id/eprint/51678

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