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Computer Simulation of Stress-Strain Behavior in Polymeric Materials

Published online by Cambridge University Press:  26 February 2011

Robert Cook
Robert Cook*
Affiliation:
Lawrence Livermore National Laboratory, Livermore, CA 94550
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Abstract

We have developed a model of polymeric materials which includes many of the features of condensed-phase polymer chain dynamics, central among them chain relaxation by conformational motion. The model consists of a number of chains of particles which are connected by bonds with double-welled potentials to approximate the energetics of conformational motion. Interactions between particles on adjacent chains are modeled by shortrange repulsive potentials. We have examined the stress-strain behavior of the model using molecular dynamics simulations and find qualitative agreement with the observed experimental behavior of polymeric materials.

Type
Articles
Information
MRS Online Proceedings Library (OPL) , Volume 79: Symposium F – Scattering, Deformation and Fracture in Polymers , 1986 , 409
Copyright
Copyright © Materials Research Society 1987

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References

1. See for example Allcock, H. R. and Lampe, F. W., Contemporary Polymer Chemistry, (Prentice Hall, Englewood Cliffs, 1981), p. 536.Google Scholar
2. Cook, R. and Mercer, M. B., Mater. Chem. Phys. 12, 571 (1985).Google Scholar
3. Helfand, E., J. Chem. Phys. 69, 1010 (1978).Google Scholar
4. Weiner, J. H. and Pear, M. R., Macromolecules 10, 317 (1977).Google Scholar
5. We note here that systems of different length and number of particles per chain give qualitatively the same results.Google Scholar