Atomic-Scale Material Removal Mechanisms in 3C-SiC Nano-Polishing: Molecular Dynamics Insights

Achieving defect-free surfaces in cubic silicon carbide (3C-SiC) is critical for high-power electronics; however, the atomic-scale role of polishing depth remains unclear. This study used molecular dynamics to systematically investigate how polishing depth affects the 3C-SiC nano-polishing process. The study analyzed the impact of varying polishing depths on surface morphology, temperature, atomic structure, and stress distribution in nano-polishing. The findings show that with an increase in polishing depth from 1 nm to 3 nm, polishing performance improves but debris accumulation and surface temperature also increase, negatively impacting surface quality and atomic structure stability. Moderate depths (1–2 nm) optimize material removal rates without compromising surface quality. Deeper polishing leads to 3C-SiC crystal transformation into amorphous structures, increased coordination numbers (CN), and greater lattice damage, while shallower depths reduce stress and structural damage, preserving material integrity. This study provides the first comprehensive analysis of depth-induced phase transitions and stress evolution, guiding high-precision 3C-SiC manufacturing.