Effect of Carbon Nanotube Addition on the Interfacial Adhesion between Graphene and Epoxy: A Molecular Dynamics Simulation

被引：30

作者：

Sun, Shuangqing ^{[1
,2
]}

Chen, Shenghui ^{[3
]}

Weng, Xuanzhou ^{[1
]}

Shan, Fei ^{[1
]}

Hu, Songqing ^{[1
,2
]}

机构：

[1] China Univ Petr East China, Sch Mat Sci & Engn, Qingdao 266580, Peoples R China

[2] China Univ Petr East China, Inst Adv Mat, Qingdao 266580, Peoples R China

[3] Ludong Univ, Sch Phys & Optoelect Engn, Yantai 264025, Peoples R China

来源：

POLYMERS | 2019年 / 11卷 / 01期

基金：

中国国家自然科学基金;

关键词：

graphene; carbon nanotube; composites; pullout; molecular dynamics simulation; MECHANICAL-PROPERTIES; THERMAL-PROPERTIES; OXIDE; PERFORMANCE; NANOCOMPOSITE; NANOFILLER;

D O I：

10.3390/polym11010121

中图分类号：

O63 [高分子化学（高聚物）];

学科分类号：

070305 ; 080501 ; 081704 ;

摘要：

The pullout process of graphene from an epoxy/graphene composite filled with a carbon nanotube (CNT) was simulated by molecular dynamics simulations. The interaction energy and the interfacial adhesion energy were calculated to analyze the effect of CNT addition on the interfacial adhesion between the graphene and the epoxy matrix, with varying CNT radii, distances between the CNT and the graphene sheet, CNT axial directions, and the number of CNT walls. Generally, the addition of a CNT strengthens the interfacial adhesion between the graphene and the polymer matrix. Firstly, a larger CNT radius induces a stronger interfacial adhesion of graphene with the matrix. Secondly, when the CNT is farther away from the graphene sheet, the interfacial adhesion of graphene with the matrix becomes weaker. Thirdly, the CNT axial direction has little effect on the interfacial adhesion of graphene in the equilibrium structure. However, it plays an important role in the graphene pullout process. Finally, compared with a single-walled CNT, the interfacial adhesion between graphene and the matrix is stronger when a double-walled CNT is added to the matrix.

引用

页数：12

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