| About this Abstract |
| Meeting |
2025 TMS Annual Meeting & Exhibition
|
| Symposium
|
Thermodynamics and Phase Diagrams Applied to Materials Design and Processing: An FMD/SMD Symposium Honoring Rainer Schmid-Fetzer
|
| Presentation Title |
Evolution of the Calphad method and its application |
| Author(s) |
Ursula R. Kattner |
| On-Site Speaker (Planned) |
Ursula R. Kattner |
| Abstract Scope |
Predictive computational tools greatly add to the information from traditional data sources. Within computational thermodynamics the Calphad method has established itself as pillar for materials and process design as it is currently the only available method for the calculation of multi-component, multi-phase equilibria and properties. The Calphad method continues to evolve by improving model descriptions to better reflect the underlying physics and expanding the properties being described. The performance of a new model formalism is traditionally evaluated on the basis of how well it describes the thermodynamic properties and phase equilibria and its extrapolation behavior to higher component systems. For describing other phase-based properties it is generally agreed to use the same formalism as for the Gibbs energy, but it is often not clear whether the new formalisms will be well suited to describe these properties. The current state of model implementations and their applications will be evaluated. |
| Proceedings Inclusion? |
Planned: |
| Keywords |
Computational Materials Science & Engineering, ICME, |