| About this Abstract |
| Meeting |
2025 TMS Annual Meeting & Exhibition
|
| Symposium
|
Thermodynamics and Kinetics of Alloys III
|
| Presentation Title |
A Phase-Field Model of Stoichiometric Compound in Solidification |
| Author(s) |
Yijia Gu |
| On-Site Speaker (Planned) |
Yijia Gu |
| Abstract Scope |
The phase-field method has been extensively employed to study the solidification of alloys. However, most phase-field solidification models approximate ordered stoichiometric compounds as disordered solid solutions, approximating their line-like free energies with parabolas. This approach introduces a pseudo-composition dependence and assumes arbitrary parabolic curvatures, potentially resulting in inconsistent chemical potentials, incorrect compound compositions, and numerical instabilities. To address these issues, we developed a phase-field model for the formation of stoichiometric compounds during solidification, treating the formation of ordered stoichiometric compound as a stoichiometric reaction. This model is based on a comprehensive thermodynamic analysis and can directly utilize the free energies of stoichiometric compounds from existing CALPHAD thermodynamic databases. The formation of Al3Zr in an Al-Zr alloy is simulated to demonstrate the feasibility and accuracy of the model. |
| Proceedings Inclusion? |
Planned: |
| Keywords |
Computational Materials Science & Engineering, Solidification, Modeling and Simulation |