纳米单晶铜磨料磨损的分子动力学研究

Molecular Dynamics Study of Nano-single Crystal Copper Abrasive Wear

使用开源分子动力学模拟软件,建立了单晶铜三体磨料磨损的分子动力学模型,模拟不同水膜厚度和载荷下单晶铜三体磨料磨损的过程,分析了在水膜厚度和载荷对单晶铜基体磨料磨损的磨损机制和磨损率。结果表明:无水膜时,磨料直接压入单晶铜基体,随着载荷的增大,基体被磨损的铜原子大幅度增加。在一定载荷下,由于水膜具有优异的承载和润滑作用,随着水膜厚度的增大,单晶铜基体磨损率减小。在一定水膜厚度下,随着载荷的增大,磨料压穿水膜与基体直接接触,且磨料与基体间的作用力随载荷增大而增大,故基体的磨损率增大。

A single crystal copper three-body abrasive wear molecular dynamics model is established to simulate the process of single-crystal copper three-body abrasive wear with different water film thicknesses and loads by the open source molecular dynamics simulation software.The wear mechanism and wear rate of the load on the abrasive wear of the single crystal copper matrix are analyzed.The results show that when there is no water film,the abrasive is directly pressed into the single crystal copper matrix.As the load increases,the copper atoms worn by the matrix increase greatly.Under a certain load,due to the excellent bearing and lubrication effect of the water film,as the thickness of the water film increases,the wear rate of the single crystal copper matrix decreases.At a certain thickness of the water film,as the load increases,the abrasive presses through the water film and contacts directly with the substrate,and the force between the abrasive and the substrate increases as the load increases,so the wear rate of the substrate increases.