Multiscale study on Phase Transformation of Ceramic Materials*

Compared with their microstructures, phase analysis of ceramic materials is rarely reported. Generally, phase analysis includes experimental phase structure determination and theoretical simulation, which are quite challengeable and require a heavy workload. Here, we proposed a series of simulation methods to analyze the phase transformation during the sintering process of Al₂O₃-ceramic materials. The structures of generated Al-Mg phases were simulated using XPFC method. The obtained potential function of Ti-C-N was applied to simulate the formation of generated Ti-C-N phases with MD methods employed. Combined with corresponding experimental results, the relationship between specific phases and mechanical properties were established.