Molecular Dynamics Study on the Tribological Characteristics of Grain Boundary-Containing Graphene/<i>h</i>-BN Heterostructure Films
Bo Zhao,
Shifan Huang,
Yutao Zhang,
Xiangcheng Ju,
Chengbang Li,
Zhenglin Li,
Lingji Xu
Affiliations
Bo Zhao
School of Ocean Engineering and Technology, Sun Yat-sen University, and Southern Marine Science and Engineering Guangdong Laboratory Zhuhai, Zhuhai 519082, China
Shifan Huang
School of Ocean Engineering and Technology, Sun Yat-sen University, and Southern Marine Science and Engineering Guangdong Laboratory Zhuhai, Zhuhai 519082, China
Yutao Zhang
Department of Mechanical and Electrical Engineering, Ocean University of China, Qingdao 266100, China
Xiangcheng Ju
School of Ocean Engineering and Technology, Sun Yat-sen University, and Southern Marine Science and Engineering Guangdong Laboratory Zhuhai, Zhuhai 519082, China
Chengbang Li
School of Ocean Engineering and Technology, Sun Yat-sen University, and Southern Marine Science and Engineering Guangdong Laboratory Zhuhai, Zhuhai 519082, China
Zhenglin Li
School of Ocean Engineering and Technology, Sun Yat-sen University, and Southern Marine Science and Engineering Guangdong Laboratory Zhuhai, Zhuhai 519082, China
Lingji Xu
School of Ocean Engineering and Technology, Sun Yat-sen University, and Southern Marine Science and Engineering Guangdong Laboratory Zhuhai, Zhuhai 519082, China
A heterostructure film composed of graphene and h-BN has superlubricity and long-term anti-corrosion performance, enabling its potential applications as low-friction and corrosion-resistant coatings, especially in marine environments. However, the grain boundaries (GBs) and point defects formed during the preparation process may significantly affect the performance of the film. In this study, the tribological properties and wear mechanism of heterostructure films with different GB misorientation angles were studied with the molecular dynamics method. The results show that the high-energy atoms generated by strain-induced hillocks along the GBs can lead to stress concentration, thus deteriorating the wear resistance of the heterostructure film. Furthermore, point defects occurring on high-energy atoms can significantly alleviate the stress concentration, which is conducive to improving the wear resistance of the film. This study sheds light on improving the tribological characteristics of a graphene/h-BN heterostructure coating by properly controlling its microstructure.
