金刚石磨粒在石墨烯润滑下三体抛光单晶硅的分子动力学研究

Numerical Study of Three-body Diamond Abrasive Polishing Single Crystal Si under Graphene Lubrication by Molecular Dynamics Simulation

为了提高单晶Si材料在抛光时表面和亚表面完整性的目标。该研究中,使用分子动力学(MD)模拟金刚石磨粒在石墨烯润滑下三体抛光单晶Si的机械抛光方法。在相同的加工参数下调整抛光速度将结果进行比较。研究了纳米抛光过程中抛光力,原子位移,配位数,温度,势能,摩擦系数的数值发展和抛光表面形貌变化。分析表明,较大的抛光速度明显导致较高的温度和较高的势能。然而,较小的抛光速度并不会导致更少的缺陷原子和Bct5-SI/SI-II类型原子,以及较低的材料去除效率。最后,石墨烯润滑的三体抛光单晶硅可以很好的改善表面质量,减小材料的去除效率。

In the study,molecular dynamics(MD)was used to simulate a mechanical polishing method in which a diamond abrasive grain was three-body polished single crystal Si under graphene lubrication.Adjusting the polishing speed under the same processing parameters compares the results.The development of polishing force,atomic displacement,coordination number,temperature,potential energy,friction coefficient and polishing surface morphology were studied during nano-polishing.Analysis shows that a larger polishing speed significantly leads to higher temperatures and higher potential energy.However,a smaller polishing rate does not result in fewer defective atoms and Bct5-SI/SI-II type atoms,as well as lower material removal efficiency.Finally,graphene-lubricated three-body polished single crystal silicon can improve surface quality and reduce material removal efficiency.