The ion beam polishing techniques for silicon wafers play a key role in the fabrication of optical element. However, the dynamical ion beam polishing process at nanoscale time and space is very difficult to be recorded and observed, which most directly affects the quality of the machined surface. Here, the material removal and surface generation process during ion beam polishing are investigated using atomic simulation. In order to reveal the effects of the Ar ion dose, surface roughness, and Ar ion energy on surface integrity and subsurface damage, the surface topography, stress distribution, material removal rate, and radial distribution function are calculated and analyzed. As a result, the higher ion dose would generate the better machined surface quality, but increases the thickness of the amorphous layer. The initial surface roughness, including hill height and diameter, strongly affects the surface quality, due to the ion implantation depth to fall behind the maximum roughness value. Moreover, the average surface roughness, the material removing rate, and amorphous structure are significantly related to the Ar ion kinetic energy. This work demonstrates the potential of reasonable parameter optimization to prepare the ion beam polishing sample with high precision and few defects for optics applications.

硅晶片的离子束抛光技术在光学元件的制造中起着关键作用。但是，很难记录和观察纳米级时空的动态离子束抛光工艺，这直接影响了加工表面的质量。在这里，使用原子模拟研究离子束抛光过程中的材料去除和表面生成过程。为了揭示Ar离子剂量，表面粗糙度和Ar离子能量对表面完整性和亚表面损伤的影响，计算并分析了表面形貌，应力分布，材料去除率和径向分布函数。结果，较高的离子剂量将产生较好的加工表面质量，但会增加非晶层的厚度。初始表面粗糙度 由于离子注入深度落在最大粗糙度值之后，因此包括峰高和直径在内的离子深度严重影响了表面质量。而且，平均表面粗糙度，材料去除率和非晶结构与Ar离子动能显着相关。这项工作展示了合理的参数优化潜力，可以制备出高精度且几乎没有光学应用缺陷的离子束抛光样品。