Reactive force-field-based molecular dynamics simulation of chemical mechanical polishing of silicon carbide in alcoholic environment

L Pan and SY Tan and CH Wu and YH Chen, MATERIALS SCIENCE IN SEMICONDUCTOR PROCESSING, 200, 109963 (2025).

DOI: 10.1016/j.mssp.2025.109963

The mechanism of material removal in chemical mechanical polishing (CMP) process is closely related to polishing fluid environment. The reactive force field (ReaxFF) is employed to analyze the chemical reactions and polishing behavior on the SiC surface, in order to investigate the friction chemical mechanism during diamond polishing in an alcoholic environment. Moreover, radial distribution function curves of various types of chemical bonds (Si-O, C-O) generated after CMP process of SiC are depicted, and bonding law is derived. Additionally, the effect of abrasive polishing speed on material removal and processing effect on silicon carbide workpiece are also investigated. SiC is prone to being oxidized by hydroxyl groups in the polishing liquid, forming oxides such as SiO and Si4C4-xO2, which are easier to remove. These oxides can be removed with lower friction. Optimal polishing results are achieved using ethanol. Corresponding roughness Ra of machined surface is only 0.09 nm, which is consistent with experimental results. Removal mechanisms of Si and C atoms in silicon carbide under the coupling of chemical reaction and mechanical friction, respectively, are elucidated. This study elucidates the mechanism of chemical mechanical polishing in alcohol environment, providing theoretical foundation for enhancing CMP process.

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