Development of an atomic mobility database for liquid phase in multicomponent Al alloys: focusing on binary systems

An atomic mobility database for binary liquid phase in multicomponent Al–Cu–Fe–Mg–Mn–Ni–Si–Zn alloys was established based on critically reviewed experimental and theoretical diffusion data by using DICTRA (Diffusion Controlled TRAnsformation) software. The impurity diffusivities of the elements with limited experimental data are obtained by means of the least-squares method and semi-empirical correlations. Comprehensive comparisons between the calculated and measured diffusivities indicate that most of the reported diffusivities can be well reproduced by the currently obtained atomic mobilities. The reliability of this diffusivity database is further validated by comparing the simulated concentration profiles with the measured ones, as well as the measured main inter-diffusion coefficients of liquid Al–Cu–Zn alloys with the extrapolated ones from the present binary atomic mobility database. The approach is of general validity and applicable to establish mobility databases of other liquid alloys.