Molecular Dynamics Simulation of Mechanical Properties of Graphene Oxide/Styrene Butadiene Rubber Composites
[1]Sun Bin,Guo Wei,Gu Jianbing,et al.Molecular Dynamics Simulation of Mechanical Properties of Graphene Oxide/Styrene Butadiene Rubber Composites[J].Journal of Zhengzhou University (Engineering Science),2019,40(01):87-91.[doi:10.13705/j.issn.1671-6833.2019.01.008]
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Journal of Zhengzhou University (Engineering Science)[ISSN
1671-6833/CN
41-1339/T] Volume:
40
Number of periods:
2019 01
Page number:
87-91
Column:
Public date:
2019-01-10
- Title:
- Molecular Dynamics Simulation of Mechanical Properties of Graphene Oxide/Styrene Butadiene Rubber Composites
- CLC:
- -
- Abstract:
- Using molecular dynamics simulation and ReaxFF reactive force-field, the mechanical properties of graphene oxide(GO)/styrene butadiene rubber (SBR) composites, including young’s modulus, hardness and friction properties, were investigated in this paper. The simulation results showed that compared with pure SBR, the young’s modulus of composites increased by 77%, hardness increased by 20.3%, friction coefficient decreased by 18% and wear rate decreased by 38%. By calculating the variation of hydrogen bond energy and interaction energy between GO and SBR during the friction process, the mechanisms enhancing friction performance was proposed. In the process of friction, the interaction potential energy between SBR matrix and GO increases gradually. One of the reasons for the increase of interaction potential energy was the enhancement of hydrogen bonds energy. The increase of the interaction potential energy made the stress transfer well from the SBR matrix to the graphene oxide with higher intensity, thus improving the friction properties of the composites.
- References:
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Last Update:
2019-03-07
