[1]孙斌,郭伟,顾建兵,等.氧化石墨烯/丁苯橡胶复合材料力学性能的分子动力学模拟[J].郑州大学学报(工学版),2019,40(01):87.
 Molecular Dynamics Simulation of Mechanical Properties of Graphene Oxide/Styrene Butadiene Rubber Composites[J].Journal of Zhengzhou University (Engineering Science),2019,40(01):87.
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氧化石墨烯/丁苯橡胶复合材料力学性能的分子动力学模拟()
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《郑州大学学报(工学版)》[ISSN:1671-6833/CN:41-1339/T]

卷:
40
期数:
2019年01期
页码:
87
栏目:
出版日期:
2019-01-10

文章信息/Info

Title:
Molecular Dynamics Simulation of Mechanical Properties of Graphene Oxide/Styrene Butadiene Rubber Composites
作者:
孙斌郭伟顾建兵米立伟
文献标志码:
A
摘要:
利用分子动力学模拟和ReaxFF反应力场,考察了加入氧化石墨烯后丁苯橡胶(SBR)的力学性能,包括杨氏模量、硬度、摩擦性能等.模拟结果表明,加入氧化石墨烯后,复合材料的杨氏模量相比于纯丁苯橡胶提高77%,硬度提高20.3%,摩擦系数降低18%,磨损率降低38%.通过计算摩擦过程中氧化石墨烯和丁苯橡胶之间氢键能和结合能的变化,提出了摩擦性能增强的机制.在摩擦过程中,丁苯橡胶基体和氧化石墨烯之间的结合能逐渐增大,结合能增大其中的一个原因是氢键作用的增强.结合能的增大使得应力能够很好地从丁苯橡胶基体转移到强度更高的氧化石墨烯上,从而提高复合材料的摩擦性能.
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.
更新日期/Last Update: 2019-03-07