About this Abstract |
| Meeting |
2026 TMS Annual Meeting & Exhibition
|
| Symposium
|
Circular Metallurgy: Design, Technology, Application
|
| Presentation Title |
Modeling Microstructure Evolution of Lithium-containing Phases Based on the Maximum Entropy Production Principle |
| Author(s) |
Wojciech Kulozik, Sanchita Chakrabarty, Haojie Li, Michael Fischlschweiger |
| On-Site Speaker (Planned) |
Wojciech Kulozik |
| Abstract Scope |
Controlling the directional solidification of slags to produce specific microstructures is very important and challenging. It can enhance the efficiency of downstream processing and the recycling of valuable elements. In this work, a new microstructure simulation framework is developed. It is based on the maximum entropy production principle combined with robust numerical methods, enabling 2-dimensional microstructure evolution to be sampled with relatively low computational costs. The framework consistently accounts for the internal kinetics of diffusion, interface migration, and friction, which are linked with equilibrium data in terms of Gibbs energies of the respective phases derived from CALPHAD-based models. For demonstration, the simulation framework is applied to the Li2O-SiO2 system, where the effects of factors such as initial composition fields, temperature fields, and cooling rates on the resulting mineral microstructure are investigated. |
| Proceedings Inclusion? |
Planned: |
| Keywords |
Modeling and Simulation, Solidification, Phase Transformations |