Abstract

Chemical vapor deposition (CVD) is a crucial method for synthesizing silicon carbide (SiC) materials with tailored properties for various applications. Understanding the atomistic processes involved in SiC material synthesis is essential for optimizing synthesis conditions and tailoring material properties. ReaxFF molecular dynamics (MD) simulation has emerged as a powerful tool for gaining atomistic insights into complex chemical reactions occurring during CVD processes. In this study, we explore the atomistic understanding of SiC material synthesis via ReaxFFMD simulation of CVD. We discuss the principles of ReaxFF-MD simulation, its applications in SiC CVD, advantages, challenges, and future directions. By providing detailed insights into reaction mechanisms, kinetics, and structureproperty relationships, ReaxFF-MD simulation can guide experimental efforts and facilitate the design and optimization of SiC CVD processes.