碳化硅化学机械抛光中金刚石磨粒与二氧化硅磨粒作用的微观模拟分析

Microscopic simulation analysis on function of diamond and silica particles during chemical mechanical polishing of silicon carbide

采用反应力场(ReaxFF)分子动力学方法模拟分别以金刚石磨粒和二氧化硅磨粒对碳化硅进行化学机械抛光时的表面微观行为,探讨了这2种硬度不同的磨粒对碳化硅表面原子的去除机制。结果表明,二氧化硅磨粒在抛光过程中相比金刚石磨粒更容易发生化学反应,主要通过持续与碳化硅表面原子成键和断键来实现原子的去除。金刚石磨粒能够使碳化硅表面更多的原子被去除,而二氧化硅能保证更好的表面质量。

The microscopic behaviors on surface of silicon carbide during its chemical mechanical polishing process with diamond particles and silica particles respectively were simulated by ReaxFF(reactive force field)based molecular dynamics.The removal mechanism of atoms on silicon carbide surface by the given two kinds of abrasive with different hardness were computationally studied.The results showed that silica particles react more easily than diamond particles during polishing process.Accordingly,the main way for silica to remove the atoms is to bond with atoms on silicon carbide surface and break continuously.Diamond particles can remove more atoms from silicon carbide surface,while silica can ensure it better surface quality.