About this Abstract |
| Meeting |
2027 TMS Annual Meeting & Exhibition
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| Symposium
|
Progress Toward Mechanisms, Thermodynamics, and Kinetics of Phase Transformations: An MPMD/SMD Symposium Honoring John H Perepezko
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| Presentation Title |
Quantitative Phase-Field Modeling of Solute Trapping and Solute Drag with Direct CALPHAD Coupling |
| Author(s) |
Takumi Morino, Machiko Ode, Shoichi Hirosawa, Peter W. Voorhees |
| On-Site Speaker (Planned) |
Takumi Morino |
| Abstract Scope |
Direct coupling between CALPHAD and phase-field methods enables microstructure prediction for practical multicomponent materials. We previously developed the Direct CALPHAD Coupling (DCC) model to improve the speed and accuracy of CALPHAD-coupled phase-field simulations by solving local-equilibrium conditions at diffuse interfaces without iterative convergence calculations. In rapid solidification, however, interface deviates from local equilibrium, leading to nonequilibrium effects such as solute trapping and solute drag. To treat these phenomena, the conventional DCC model, which assumes local equilibrium, must be extended to nonequilibrium conditions. In this study, we incorporate the nonequilibrium-interface theory proposed by Hareland et al. into the DCC framework. By reformulating Hareland’s concentration and velocity response functions in explicit forms and introducing a newly proposed thick-interface limit, an analytical treatment for the regime where the phase-field interface thickness exceeds the diffusion length, the present model quantitatively describes nonequilibrium interfacial effects without additional tuning parameters. |
| Proceedings Inclusion? |
Planned: |
| Keywords |
Solidification, Computational Materials Science & Engineering, Modeling and Simulation |