Hölzl, Thomas and Wittkop, Markus and Kreitmeier, Stefan and Göritz, Dietmar (1997) Uniaxial deformation of bridging polymer systems: A Monte Carlo study. JOURNAL OF CHEMICAL PHYSICS, 106 (18). pp. 7792-7801. ISSN 0021-9606, 1089-7690
Full text not available from this repository.Abstract
A new approach for the equilibrium deformation of three-dimensional chains, that are bigrafted to parallel planes is presented. The underlying lattice Monte Carlo algorithm is the bond fluctuation model. In addition to the excluded-volume interaction of this a priori athermal algorithm, we incorporated external potentials in order to enable direct detection of forces. The whole deformation process is split up into a series of separate steps. Each step consists of a generation process and subsequent relaxation procedures. Stress and strain an simultaneously calculated as time-averaged quantities of sufficiently equilibrated systems. Stress-strain relations ranging from compression to the highly stretched regime were simulated by variation of both chain length, N, and grafting density, sigma. In the high-density limit the simulation data agree perfectly with a simple one-dimensional theory. The N and sigma dependency of the distance, h(0)(N, sigma), of grafting planes at vanishing force is in qualitative agreement with theoretical predictions for an intermediate regime of sigma. The simulated force-length relations an in satisfactory agreement with current scaling predictions. (C) 1997 American Institute of Physics.
| Item Type: | Article |
|---|---|
| Uncontrolled Keywords: | CONSISTENT-FIELD-THEORY; POOR SOLVENT; CHAIN MOLECULES; TELECHELIC POLYMERS; GRAFTED POLYMERS; SELF-DIFFUSION; SCALING THEORY; BRUSHES; SIMULATION; DYNAMICS |
| 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: | 27 Apr 2023 09:48 |
| Last Modified: | 27 Apr 2023 09:48 |
| URI: | https://pred.uni-regensburg.de/id/eprint/50826 |
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