Effects of defected carbon nanotubes on the elastic properties of polymethyl methacrylate matrix

被引：2
|
作者：
Li Y. [1 ]
Yang B. [2 ]
Tang L. [3 ]
Li H. [1 ]
Wang Z. [2 ]
Liu D. [1 ]
机构：
[1] College of Engineering, Shantou University, Shantou
[2] School of Mechanical Engineering, Shenyang University of Technology, Shenyang
[3] School of Energy and Power Engineering, Shenyang University of Chemical Technology, Shenyang
来源：
Zhongnan Daxue Xuebao (Ziran Kexue Ban)/Journal of Central South University (Science and Technology) | 2020年 / 51卷 / 04期
基金：
中国国家自然科学基金;
关键词：
Carbon nanotubes; Interfacial interaction; Molecular simulation; Polymer composites; Surface defects;
D O I：
10.11817/j.issn.1672-7207.2020.04.004
中图分类号：
学科分类号：
摘要：
In the preparation of carbon nanotubes(CNTs) and CNTs/polymer composites, the coupling effects of temperature, solution and force field could not be avoided. Therefore, the formation of defects on the surface of CNTs were inevitable. Molecular models of polymethyl methacrylate(PMMA) matrix reinforced by carbon nanotubes(CNTs) containing thrower-stone-wales(TSW), single vacancy(SV) defects on the surfaces were built respectively. Molecular dynamics simulations were conducted to determine the elastic modulus of the CNTs/polymer composites. The interfacial interactions between CNTs and PMMA during the tensile process and the elastic behaviors of CNTs were particularly investigated and analyzed to reveal the atomic inherent mechanisms of the effects of surface defects of CNTs on the elastic properties of PMMA matrix. The results show that the elastic modulus of TSW and SV-CNTs/polymer composites decrease in comparison with that of the pristine CNTs. The elastic modulus of SV-CNTs/polymer composites is lower than that of the TSW-CNTs/polymer composites. During the tensile process, the elastic properties of CNTs have more important effects on decreasing the elastic modulus of the polymer matrix than that of the interfacial interactions between CNTs and polymer matrix. In addition, the elastic modulus of polymer composites deceases with the increase of the number of the defects on the surface of CNTs. When the toughness and fracture resistance of polymer composites are required in practical application, the number of defects on CNTs surface can increase appropriately by certain ways. In contrast, when the strength of polymer composites is required, the occurrence of defects on CNTs surface should be avoided. © 2020, Central South University Press. All right reserved.
引用
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页码：893 / 901
页数：8
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