Atomic-scale insights into the material removal mechanism of cerium oxide polished fused silica based on ReaxFF-MD

IF 6.1 1区 工程技术 Q1 ENGINEERING, MANUFACTURING
Fukun Li , Yang Bai , Haixiang Hu , Longxiang Li , Feng Zhang , Xiao Luo , Xuejun Zhang
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Abstract

Reactive force field molecular dynamics simulation (ReaxFF-MD) was utilized to investigate the atomic-level material removal mechanism of fused silica polished by cerium oxide (111) abrasives during the computer-controlled optical surface (CCOS) process. The study reveals that interactions between the cerium oxide abrasives and fused silica surface in the presence of water molecules result in the formation of structures such as Ce/Si-OH. During polishing, Ce-O-Si bridge bonds are formed, which transmit mechanical forces to the surface of the fused silica glass, leading to atomic removal through stretching. The CCOS process is characterized by a synergistic interaction of both mechanical and chemical mechanisms. The study also explored the chemical and mechanical effects on the surfaces of cerium oxide abrasives and fused silica under varying pH, pressure, and slip velocity conditions. Experimental validation demonstrated that at pH 11, the surface roughness reached 0.126 nm, and the material removal rate (MRR) peaked at 593.56 nm/min under a high polishing speed of 375 RPM. Additionally, higher polishing pressure (0.2 MPa) further enhanced removal efficiency, with an MRR of 214.63 nm/min. These findings provide valuable insights for optimizing process parameters in practical applications and offer crucial theoretical guidance for achieving picometer-level ultra-smooth surface processing.

Abstract Image

基于 ReaxFF-MD 的原子尺度洞察氧化铈抛光熔融石英的材料去除机制
利用反应力场分子动力学模拟(ReaxFF-MD)研究了计算机控制光学表面(CCOS)工艺中氧化铈(111)磨料抛光熔融石英的原子级材料去除机制。研究发现,在水分子存在的情况下,氧化铈磨料与熔融石英表面之间的相互作用会形成 Ce/Si-OH 等结构。在抛光过程中,Ce-O-Si 桥键形成,将机械力传递到熔融石英玻璃表面,通过拉伸导致原子脱落。CCOS 工艺的特点是机械和化学机制的协同作用。研究还探讨了在不同的 pH 值、压力和滑移速度条件下,氧化铈磨料和熔融石英表面的化学和机械效应。实验验证表明,在 pH 值为 11 时,表面粗糙度达到 0.126 nm,在 375 RPM 的高抛光速度下,材料去除率 (MRR) 达到峰值 593.56 nm/min。此外,较高的抛光压力(0.2 兆帕)进一步提高了去除效率,MRR 达到 214.63 nm/min。这些发现为优化实际应用中的工艺参数提供了宝贵的见解,并为实现皮米级超光滑表面加工提供了重要的理论指导。
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来源期刊
Journal of Manufacturing Processes
Journal of Manufacturing Processes ENGINEERING, MANUFACTURING-
CiteScore
10.20
自引率
11.30%
发文量
833
审稿时长
50 days
期刊介绍: The aim of the Journal of Manufacturing Processes (JMP) is to exchange current and future directions of manufacturing processes research, development and implementation, and to publish archival scholarly literature with a view to advancing state-of-the-art manufacturing processes and encouraging innovation for developing new and efficient processes. The journal will also publish from other research communities for rapid communication of innovative new concepts. Special-topic issues on emerging technologies and invited papers will also be published.
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