文章摘要
Molecular Dynamics Simulation on Tensile Behavior of Rubber
Received:September 07, 2018  Revised:September 07, 2018
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
Author NameAffiliationE-mail
HE Yan Qingdao University of Science and Technology heyan_qust@163.com 
JIANG Yingnan Qingdao University of Science and Technology  
TANG Yuanzheng* Qingdao University of Science and Technology tangyuanzheng@163.com 
CHEN Hao Qingdao University of Science and Technology  
MA Lianxiang Qingdao University of Science and Technology  
LI Kang Qingdao University of Science and Technology  
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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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