Atomic mobility in liquid and fcc Al–Si–Mg–RE (RE = Ce, Sc) alloys and its application to the simulation of solidification processes in RE-containing A357 alloys

Abstract

Abstract This paper first provides a critical review of experimental and theoretically-predicted diffusivities in both liquid and fcc Al–Si–Mg–RE (RE = Ce, Sc) alloys as-reported by previous researchers. The modified Sutherland equation is then employed to predict self- and impurity diffusivities in Al–Si–Mg–RE melts. The self-diffusivity of metastable fcc Sc is evaluated via the first-principles computed activation energy and semi-empirical relations. Based on the critically-reviewed and presently evaluated diffusivity information, atomic mobility descriptions for liquid and fcc phases in the Al–Si–Mg–RE systems are established by means of the Diffusion-Controlled TRAnsformation (DICTRA) software package. Comprehensive comparisons show that most of the measured and theoretically-predicted diffusivities can be reasonably reproduced by the present atomic mobility descriptions. The atomic mobility descriptions for liquid and fcc Al–Si–Mg–RE alloys are further validated by comparing the model-predicted differential scanning calorimetry curves for RE-containing A357 alloys during solidification against experimental data. Detailed analysis of the curves and microstructures in RE-free and RE-containing A357 alloys indicates that both Ce and Sc can serve as the grain refiner for A357 alloys, and that the grain refinement efficiency of Sc is much higher.