基于热力学和动力学协同的析出相模拟

Owing to the critical role precipitation hardening plays in the improved mechanical performance of metals, understanding the formation mechanisms of precipitates is significant for the rational control of the corresponding and correlated effects. From the perspective of the synergetic variation of thermodynamics and kinetics, the current work briefly reviews the mesoscale methods for precipitation modeling based on the computational thermodynamics of CALPHAD (including the DICTRA simulation, Kampmann-Wagner numerical model, Svoboda-Fischer-Fratzl-Kozeschnik model, and diffusion field cell model) and the multiscale methods based on first-principles calculations (including the phase field model and multiscale structural modeling using the Fokker-Planck equation). On this basis, the research and development of precipitation modeling for heat-treated metals is discussed in detail.