| About this Abstract |
| Meeting |
2025 TMS Annual Meeting & Exhibition
|
| Symposium
|
Hume-Rothery Symposium on Thermodynamics of Microstructure Stability and Evolution
|
| Presentation Title |
Advanced Phase-Field Models of Solution Phases in CALPHAD Databases |
| Author(s) |
Yanzhou Ji, Long-Qing Chen |
| On-Site Speaker (Planned) |
Yanzhou Ji |
| Abstract Scope |
Thermodynamics of phases are critical inputs to phase-field simulations of microstructure evolution in realistic materials systems. In CALPHAD-type thermodynamic databases, depending on the level of ordering, solid phases can be divided into fully disordered solutions, nonstoichiometric phases with different sublattices, and fully ordered stoichiometric compounds. To consistently deal with these detailed phase descriptions and faithfully incorporate CALPHAD databases without approximations in phase-field simulations, we will show our recent systematic efforts including (1) a new phase-field model to deal with interfacial equilibrium among different solution phases; and (2) a new phase-field model to deal with nonstoichiometric phases with extra degrees of freedom in sublattice site fractions. Upon model validations, we will show the broad potential applications of these new phase-field models in solving many microstructure problems related to diffusion and reaction. |
| Proceedings Inclusion? |
Planned: |
| Keywords |
Computational Materials Science & Engineering, Modeling and Simulation, Phase Transformations |