An integrated computational approach is proposed for evaluating the lattice misfit between γ and γ′ in Ni-base superalloys by combining first-principles calculations, existing experimental data and phenomenological modeling. In particular, the lattice misfits in Ni-Al and Ni-Al-Mo alloys were studied. This approach is validated by comparing the calculated lattice misfit with available experimental measurements as well as by comparing the predicted γ′ precipitate morphologies from phase-field simulations with experimental observations.
All Science Journal Classification (ASJC) codes
- Materials Science(all)
- Condensed Matter Physics
- Mechanics of Materials
- Mechanical Engineering