Theoretical studies of aluminum and aluminide alloys using calphad and first-principles approach

by 1977- Jiang, Chao

Heat-treatable aluminum alloys have been widely used in the automobile and aerospace industries as structural materials due to their light weight and high strength. To study the age-hardening process in heat-treatable aluminum alloys, the Gibbs energies of the strengthening metastable phases, e.g. ?? and ??, are critical. However, those data are not included in the existing thermodynamic databases for aluminum alloys due to the semiempirical nature of the CALPHAD approach. In the present study, the thermodynamics of the Al-Cu system, the pivotal age-hardening system, is remodeled using a combined