Hoelzl, Thomas and Mesner, C. and Wittkop, T. and Kreitmeier, Stefan and Kain, S. and Goeritz, Dietmar (1999) Monte Carlo studies on the deformation behaviour of glassy model systems. COMPUTATIONAL AND THEORETICAL POLYMER SCIENCE, 9 (2). pp. 99-109. ISSN 1089-3156,
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We present an alternative methodology for the investigation of deformation properties of polymer glasses. The calculation of the stress-strain relation in simple extension is performed in the framework of a highly flexible lattice Monte Carlo algorithm. In contrast to other studies, this method enables the dynamic and temperature-dependent deformation analysis of an actual multichain system. The most characteristic properties of polymer systems, namely, excluded volume of effective monomers, non-crossability and finite extensibility of the chains as well as van der Waals attraction and the local chain stiffening with decreasing temperature are rigorously accounted for during the dynamics. The simulated stress-strain relations qualitatively agree with experimental findings. Analysis of the structure reveals pronounced non-affine and inhomogeneous deformation behaviour. (C) 1999 Elsevier Science Ltd. All rights reserved.
| Item Type: | Article |
|---|---|
| Uncontrolled Keywords: | GRAFTED POLYMER LAYERS; MOLECULAR-DYNAMICS; MECHANICAL-PROPERTIES; PLASTIC-DEFORMATION; BETA-RELAXATION; SIMULATION; MELTS; TRANSITION; CHAIN; DIMENSIONS; deformation properties; Monte Carlo algorithm; non-affine and inhomogeneous deformation behaviour |
| 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: | 29 Nov 2022 11:02 |
| Last Modified: | 29 Nov 2022 11:02 |
| URI: | https://pred.uni-regensburg.de/id/eprint/48630 |
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