LAUSR

Using CALPHAD method, the Al-Zr, Al-Li and Al-Li-Zr systems have been reassessed based on the latest experimental phase relations from literatures and the first-principle calculation of the formation enthalpy for ternary compound T1(AlLi2Zr) in this work. The excess Gibbs energies of solution phases, including liquid, bcc, fcc and hcp, were expressed by the Redlich–Kister polynomial. The stoichiometric compounds, i.e. Al4Zr5, Al3Zr5, AlZr2, AlZr3, Al2Li3, Al4Li9 and T1(AlLi2Zr), were modeled as stoichiometric model and the non-stoichiometric compounds, i.e. Al3Zr, Al2Zr, Al3Zr2, AlZr, Al3Zr4, Al2Zr3, AlLi2 and T2(AlLix+yZr5−x), were described with different sublattice models. Finally, a set of reasonable thermodynamic parameters for Al-Li-Zr ternary system have been obtained, which notes a clear improvement on the self-consistency. The calculated isothermal section at 470 K of Al-Li-Zr system was in reasonable agreement with the experimental one.