Optimization of CVD SiC process and preparation of high-purity coatings based on a thermodynamic-fluid dynamics coupled model

Abstract

The mechanism of SiC preparation via chemical vapor deposition (CVD) of the CH₃SiCl₃(MTS)-H₂ system remains unclear. This article integrates thermodynamic calculations, fluid dynamics simulations, and experimental validations to enable a synergistic analysis from thermodynamic equilibrium predictions to fluid dynamics-based dynamic modeling. The results systematically reveal the effects of process parameters on the SiC deposition procedure. It was found that the silicon-rich phenomenon observed at low temperatures is related to the low reactivity of CH₄ and the preferential adsorption of chlorosilanes. With increasing deposition temperature, the concentration of silicon-containing molecular species such as SiCl₂ rises, while unsaturated hydrocarbons like C₂H₂ become the dominant carbon sources at high temperature, ultimately producing nearly stoichiometric SiC coatings at 1400 °C. Notably, thermodynamic calculation results alone exhibited deviations from experimental results, whereas coupling with fluid dynamics simulations improved consistency significantly. This research method not only compensates for limitations inherent in thermodynamic calculations but also provides reliable theoretical basis and technical support for precise control of CVD parameters and optimization of SiC chemical composition.

Keywords

chemical vapor deposition / silicon carbide / thermodynamic / fluid dynamics / chemical composition

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Central South University