Abstract Chemical mechanical polishing(CMP) is an important method to achieve ultra-precision machining of diamond. However, the friction mechanism during CMP is not well understood due to a lack of information regarding the interface. Here, reactive molecular dynamics simulation was utilized to elucidate the friction behavior under different pressures and flow fates of polishing slurry. Simulation results indicated that pressure could accelerate the passivation of surface, Pauli repulsion between abrasive and substrate could withstand the applied load and prevent the two surfaces from reaching the C–C interaction range. The number of C atoms removed and the subsurface damage of substrate are the function of flow fate and pressure. This provides a theoretical support for the ultra-precision and low-damage machining of diamond.

中文翻译：

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深入了解金刚石化学机械抛光过程中低摩擦和磨损的机制：反应分子动力学模拟

摘要 化学机械抛光(CMP)是实现金刚石超精密加工的重要方法。然而，由于缺乏有关界面的信息，CMP 过程中的摩擦机制尚不清楚。在这里，反应分子动力学模拟被用来阐明在不同压力下的摩擦行为和抛光浆的流动命运。模拟结果表明，压力可以加速表面钝化，磨料和基体之间的泡利斥力可以承受施加的载荷并阻止两个表面达到 C-C 相互作用范围。去除的 C 原子数量和基材的亚表面损伤是流动趋势和压力的函数。这为金刚石的超精密低损伤加工提供了理论支持。