Analysis of phase diagram and diffusion coefficient for modeling of microsegregation

Thermodynamic description of phase diagram and diffusion data are required to model microsegregation during solidification of metallic alloys. Knowledge about non-equilibrium phase diagrams is essential for modeling of microsegregation in practical situations. Therefore, the aim of this study is to theoretically analyze phase diagram and diffusion data for calculation of microsegregation. For this purpose, aluminum-rich part of the Al–Cu phase diagram was recalculated under non-equilibrium conditions. Effect of excess vacancies formed during solidification was considered on both the phase diagram and diffusion coefficient. The results show that by modifying the phase diagram, the calculated results have better consistency with the experimental results, but there is still room for improvement. When the effect of excess vacancies on diffusion coefficient is considered, the modeling results show a much better correlation with the experimental results. The origin of discrepancies between the calculations and experiments are deeply discussed using current theories in solidification.