| Molecular Dynamics Simulation on Tensile Behavior of Rubber |
| 投稿时间：2018-09-07 修订日期：2018-09-07 |
| DOI：10.12136/j.issn.1000-890X.2019.06.0409 |
| Key Words: rubber tensile behavior molecular dynamics molecular simulation mean square displacement mean square radius of gyration |
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| Abstract: |
| Under the same all-atomic model，degree of polymerization，temperature and pressure，the tensile behavior of the molecular model of natural rubber（NR），gutta percha（TPI）and butadiene rubber（BR） was simulated by molecular dynamics method to investigate the change of the stress-strain relationship， energy，mean square displacement and mean square radius of gyration. The results showed that，the tensile properties of NR molecular model and TPI molecular model were basically the same，while the BR molecular model showed a greater stress response than the former two ones，and the tensile properties of rubber were highly correlated with the fluidity of the atoms in the molecules. |
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