Molecular dynamics simulations on the micro-pore size of porous Si3N4 ceramics

This study utilized molecular dynamics simulations to investigate the sintering process of porous Si3N4 ceramics. The main focus was to examine the effects of pressure, temperature, and the diameter of poly-methyl methacrylate (PMMA) on the resulting pore size of the ceramics. Through a comprehensive analysis, the study aimed to uncover the underlying mechanisms through which these factors influence the pore size. To establish a quantitative relationship between the microstructure of porous Si3N4 ceramics and the aforementioned factors, a fitting equation was employed to capture their functional relationship. To validate the reliability of the simulated results and mathematical model, experimental verification was conducted. The proposed methodology presented in this study offer a valuable framework for making preliminary predictions regarding the microstructure of porous Si3N4 ceramics under various pressures, temperatures, and PMMA diameters. This information can contribute to a deeper understanding of the sintering process and the microstructure of porous Si3N4 ceramics.