Knowledge of diffusivity is a prerequisite for understanding many scientific and technological disciplines. In this paper, firstly major experimental methods, which are employed to provide various diffusivity data, are briefly described. Secondly, the fun-damentals of various computational methods, including first-principles method, embedded atomic method/molecular dynamic simulation, semi-empirical approaches, and phenomenological DICTRA technique, are demonstrated. Diffusion models re- cently developed for order/disorder transitions and stoichiometric compounds are also briefly depicted. Thirdly, a newly estab- lished diffusivity database for liquid, fcc_A1, Lie, bcc_A2, bcc_B2, and interrnetallic phases in the multicomponent A1 alloys is presented via a few case studies in binary, ternary and quaternary systems. And the integration of various computational techniques and experimental methods is highlighted. The reliability of this diffusivity database is validated by comparing the calculated and measured concentration profiles, diffusion paths, and Kirkendall shifts in various binary, ternary and quaternary diffusion couples. Next, the established diffusivity databases along with thermodynamic and other thermo-physical properties are utilized to simulate the microstructural evolution for Al alloys during solidification, interdiffusion and precipitation. A spe- cial discussion is presented on the phase-field simulation of interdiffusion microstructures in a series of Ni-Al diffusion couples composed of γ, γ＇, and β phases under the effects of both coherent strain and external compressive force. Future orientations in the establishment of next generation of diffusivity database are finally addressed.
DU YongZHANG LiJunCUI SenLinZHAO DongDongLIU DanDanZHANG WeiBinSUN WeiHuaJIE WanQi
The aim of the present work is to develop a model for simulating double-peak precipitation hardening kinetics in Al-Zn-Mg alloy with the simultaneous formation of different types of precipitates at elevated temperatures based on the modified Langer-Schwartz approach. The double aging peaks are present in the long time age-hardening curves of Al-Zn-Mg alloys. The physically-based model, while taking explicitly into account nucleation, growth, coarsening of the new phase precipitations and two strengthening mechanisms associated with particle-dislocation interaction （shearing and bypassing）, was used for the analysis of precipitates evolution and precipitation hardening during aging of Al-Zn-Mg alloy. Model predictions were compared with the measurements of Al-Zn-Mg alloy. The systematic and quantitative results show that the predicted hardness profiles of double peaks via adding a shape dependent parameter in the growth equation for growth and coarsening generally agree well with the measured ones. Two strengthening mechanisms associated with particle-dislocation interaction （shearing and bypassing） were considered operating simultaneously in view of the particle size-distribution. The transition from shearing to bypassing strengthening mechanism was found to occur at rather early stage of the particle growth. The bypassing was found to be the prevailing strengthening mechanism in the investigated alloys.
