## Abstract Multiβscale modeling requires the selection and preservation of information crucial to understanding the behavior of a system at appropriate length and time scales. For a full description of processed polymers, such a model must successfully link rheological properties with atomicβlevel
Atomistic nonequilibrium computer simulations
β Scribed by William G. Hoover
- Publisher
- Elsevier Science
- Year
- 1983
- Tongue
- English
- Weight
- 776 KB
- Volume
- 118
- Category
- Article
- ISSN
- 0378-4371
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π SIMILAR VOLUMES
## Abstract An atomistic computer simulation is performed in order to investigate structure and mechanical behaviour of materials composed of fibres embedded in a polymer matrix. A graphiteβpoly(propylene) system is used as a model, the energy of which has been minimized. Unlike the models of other
lnteratomic potentials have been developed during the past few years which include the directional character of the covalent bond explicitly by retaining terms up to the fourth moment within tight binding theory. These recent developments are reviewed and future directions indicated with particular