基于耦合界面键合效应的石墨烯磨损研究  

Study of graphene wear based on coupled interfacial bonding effects

作　　者：郑云飞 卢艳 ZHENG Yun-Fei;LU Yan(Key Laboratory of Metallurgical Equipment and Control Technology,Wuhan Univeristy of Science and Technology,Wuhan 430081,China;Key Laboratory of Mechanical Transmission and Manufacturing Engineering,Wuhan University of Science and Technology,Wuhan 430081,China;Precision Manufacturing Research Institute,Wuhan Univeristy of Science and Technology,Wuhan 430081,China)

机构地区：[1]武汉科技大学冶金装备及其控制教育部重点实验室,武汉430081 [2]武汉科技大学机械传动与制造工程湖北省重点实验室,武汉430081 [3]武汉科技大学精密制造研究院,武汉430081

出　　处：《原子与分子物理学报》2025年第6期66-75,共10页Journal of Atomic and Molecular Physics

基　　金：国家重点研发计划(2021YFB2011200)。

摘　　要：石墨烯作为二维固体润滑材料,其超滑特性不仅是物理作用结果,其化学键结构机制下的摩擦化学现象,是深入理解石墨烯摩擦性能的关键.本文采用分子动力学(MD)方法构建了多重层数石墨烯增强不同粗糙形貌的金属基底模型,实现了其与金刚石尖端滑动过程的动态分析,揭示了考虑尖端与石墨烯之间存在界面键时石墨烯层的理化耦合作用下的磨损机理.研究结果表明:当考虑金刚石尖端与石墨烯之间化学键合时,石墨烯发生磨损破裂的临界载荷相对于不考虑界面化学键时的值减小,这是由于界面键的形成会剥离石墨烯导致石墨烯断裂所致;金属基底的粗糙度也是决定石墨烯发生磨损破裂时临界载荷的重要因素之一,当粗糙度增大,临界载荷减小,同时通过增加石墨烯层的层数(增韧)来提高石墨烯发生磨损破裂失效的临界载荷.Graphene as a two-dimensional solid lubricant material,its super-slip properties are not only the result of physical action,but also the friction chemistry phenomena under the mechanism of its chemical bonding structure,which is the key to a deeper understanding of the friction properties of graphene.In this paper,we use the molecular dynamics(MD)method to construct a model of a metal substrate with multiple layers of graphene enhanced with different rough morphologies,realize the dynamic analysis of its sliding process with diamond tip,and reveal the wear mechanism under the physicochemical coupling of graphene layers considering the existence of interfacial bonds between the tip and graphene.The results of the study show that when chemical bonding between the diamond tip and graphene is considered,the critical load at which wear rupture of graphene occurs decreases relative to the value when interfacial chemical bonding is not considered,which is due to the fact that the formation of interfacial bonding exfoliates graphene,leading to graphene fracture;the roughness of the metal substrate is also one of the important factors in determining the critical load for graphene to undergo wear rupture,when the roughness increases,the critical load decreases,and the critical load for graphene to undergo wear rupture failure is increased by increasing the number of layers of graphene layers(toughening).

关 键 词：石墨烯层 界面键 分子动力学 磨损破裂 

分 类 号：O56[理学—原子与分子物理]