Solid-state shear milling (S3M) equipment is an evolution from traditional stone mills, enabling the processing of polymer materials and fillers through crushing, mixing, and mechanochemical reactions at ambient temperature. Due to the complex structure of the mill-pan, empirical data alone are insufficient to give a comprehensive understanding of the physicochemical interactions during the milling process. To provide an in-depth insight of the working effect and mechanism of S3M equipment, finite element method (FEM) analysis is employed to simulate the milling dynamics, which substantiates the correlation between numerical outcomes and experimental observations. A model simplification strategy is proposed to optimize calculation time without compromising accuracy. The findings in this work demonstrate the S-S bond breakage mechanism behind stress-induced devulcanization and suggest the structural optimizations for enhancing the devulcanization and pulverization efficiency of S3M equipment, thereby providing a theoretical foundation for its application in material processing.