Evidence for the absence of bond-crossing in the three-dimensional bond fluctuation model

Trautenberg, Hans L. and Hölzl, Thomas and Göritz, Dietmar (1996) Evidence for the absence of bond-crossing in the three-dimensional bond fluctuation model. COMPUTATIONAL AND THEORETICAL POLYMER SCIENCE, 6 (3-4). pp. 135-141. ISSN 1089-3156

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Abstract

This paper presents the evidence for the correctness of the three-dimensional bond fluctuation model (BFM), which has been used extensively since 1990 to simulate polymeric systems as melts, glasses, and networks. Deutsch(1) claimed that cut-avoiding of bondvectors is a consequence of self-avoidance, if the bondvectors are taken from an appropriately restricted set. This claim was not doubted, although up to now there has been. no conclusive evidence that cut-avoiding is automatically ensured in the course of random dynamics. Due to the importance of the BFM, searching for a proof of the above claim was an inevitable task. Our evidence consists of an analytical derivation of inequalities, which are tested by integer arithmetic for all conceivable pairs of bondvectors, thus yielding exact results.

Item Type: Article
Additional Information: Jg. des e-journals nicht vorhanden /gup
Uncontrolled Keywords: MONTE-CARLO SIMULATION; GRAFTED POLYMER LAYERS; GLASS-TRANSITION; MELTS; DYNAMICS; BRUSHES; CHAINS; DIFFUSION; FORCE; STATE; bond fluctuation model; lattice algorithm; cut-avoiding; Monte Carlo
Subjects: 500 Science > 540 Chemistry & allied sciences
Divisions: Physics > Institute of Experimental and Applied Physics > Alumni or Retired Professors > Group Dietmar Göritz
Depositing User: Dr. Gernot Deinzer
Date Deposited: 29 Jun 2023 05:32
Last Modified: 29 Jun 2023 05:32
URI: https://pred.uni-regensburg.de/id/eprint/51498

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