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Open access Aug 2026

Atomistic Insights into SiC Sublimation and Temperature-Dependent Vapor Composition by ReaxFF Molecular Dynamics Simulations

We developed a ReaxFF force field for silicon carbide (SiC), specifically parametrized to capture complex, temperature-dependent vapor compositions during sublimation. ReaxFF molecular dynamics (MD) simulations of crystalline SiC at 3000–4500 K revealed a diverse range of vapor species─including SiC2, Si, Si2C, Si2C2...

Yun Kyung Shin, Ga-Un Jeong, Mengyi Wang et al. · 0 citations

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