The surface planarity and asperity removal behavior on atomic scale in an ultrathin water environment were studied for a nanoscale process by molecular dynamics simulation. Monolayer atomic removal is achieved under both noncontact and monoatomic layer contact conditions with different water film thicknesses. The newly formed surface is relatively smooth without deformed layers, and no plastic defects are present in the subsurface. The nanoscale processing is governed by the interatomic adhering action during which the water film transmits the loading forces to the Cu surface and thereby results in the migration and removal of the surface atoms. When the scratching depth ≥ 0.5 nm, the abrasive particle squeezes out the water film from the scratching region and scratches the Cu surface directly. This leads to the formation of trenches and ridges, accumulation of chips ahead of the particles, and generation of dislocations within the Cu substrate. This process is mainly governed by the plowing action, leading to the deterioration of the surface quality. This study makes the ”0 nm planarity, 0 residual defects, and 0 polishing pressure” in a nanoscale process more achievable and is helpful in understanding the nanoscale removal of materials for developing an ultra-precision manufacture technology.

中文翻译：

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通过分子动力学研究在超薄水环境中去除铜薄膜的表面

通过分子动力学模拟研究了超薄水环境中纳米级表面的平面度和除杂性能。在具有不同水膜厚度的非接触层和单原子层接触条件下均可实现单层原子去除。新形成的表面是相对光滑的，没有变形的层，并且在地下不存在塑性缺陷。纳米级处理受原子间粘附作用的控制，在此期间水膜将负载力传递到Cu表面，从而导致表面原子的迁移和去除。当刮擦深度≥0.5 nm时，磨料颗粒会从刮擦区域挤出水膜，直接刮擦铜表面。这导致沟槽和山脊的形成，堆积在颗粒之前的碎屑，以及在铜基板内产生位错。该过程主要由耕作控制，从而导致表面质量下降。这项研究使纳米级工艺中的“ 0 nm平面度，0残余缺陷和0抛光压力”更加可实现，并且有助于理解材料的纳米级去除，以开发超精密制造技术。