Abstract Three-dimensional molecular dynamics simulations have been performed to investigate the combination effect of the tip inclination and scratching direction on the tip-based nanomanufacturing (TBN) process of single crystal silicon. Three typical scratching directions, edge forward (EF), face forward (FF), and side-face forward (SFF), were considered in the TBN processes. By analyzing the variation of the projected area of the tip, groove morphology, and silicon atomic flow behavior, the simulation results showed that the tip inclination and scratching direction had significant influences on groove generation, which is caused by the various atomic flow directions for scratching with different inclination angles and scratching directions. The change of the contact area induced by the tip inclination and scratching direction was the main reason for the variation of the scratching forces, and the normal forces were more sensitive than the tangential forces. Moreover, the plastic behavior, including the hydrostatic stress distribution, phase transformation, and the amorphous silicon distribution, were also dependent on the combination effect of the tip inclination and scratching direction. The results will provide important guidance for the process of TBN on silicon materials.

中文翻译：

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尖端倾斜度和划痕方向对单晶硅纳米加工的组合效应的分子动力学模拟

摘要 通过三维分子动力学模拟研究了尖端倾斜度和划痕方向对单晶硅尖端纳米制造（TBN）工艺的综合影响。在 TBN 工艺中考虑了三个典型的刮擦方向，边缘向前 (EF)、面向前 (FF) 和侧面向前 (SFF)。通过分析尖端的投影面积、凹槽形貌和硅原子流动行为的变化，模拟结果表明尖端倾斜和划痕方向对凹槽的产生有显着影响，这是由各种原子流向划痕引起的。具有不同的倾斜角度和刮擦方向。由尖端倾斜和刮擦方向引起的接触面积的变化是刮擦力变化的主要原因，法向力比切向力更敏感。此外，塑性行为，包括静水应力分布、相变和非晶硅分布，也取决于尖端倾斜和刮擦方向的组合效应。研究结果将为硅材料上的TBN工艺提供重要指导。还取决于尖端倾斜度和刮擦方向的组合效果。研究结果将为硅材料上的TBN工艺提供重要指导。还取决于尖端倾斜度和刮擦方向的组合效果。研究结果将为硅材料上的TBN工艺提供重要指导。