About this Abstract |
| Meeting |
2026 TMS Annual Meeting & Exhibition
|
| Symposium
|
Computational Thermodynamics and Kinetics
|
| Presentation Title |
Systematic Modeling of Precipitation Phases – Case Study on the M<sub>6</sub>X (X=C, N) Phase in Steels |
| Author(s) |
Fredrik Haglöf, Reza Naraghi, Andreas Markström, Qing Chen |
| On-Site Speaker (Planned) |
Fredrik Haglöf |
| Abstract Scope |
Use of CALPHAD databases is today the most efficient way to predict microstructures and phase transformations in multicomponent systems. Not only basic properties such as melting temperatures and phase fractions/compositions of matrix phases can be estimated but also, for example, precipitation behavior and dissolution temperatures of precipitating phases can be predicted. However, as the precipitate type has a tremendous impact on the properties of the alloy it is utterly important to know which precipitating phase that forms at each given condition. This requires that the driving force for precipitation for each phase is correct, which in turn requires a good thermodynamic description of each phase in the CALPHAD database. In this talk, we shall present how ab-initio calculations in combination with experimental information can be used in a systematic manner to model precipitation phases by using the M<sub>6</sub>X (X=C, N) phase, often seen in steels, as an example. |
| Proceedings Inclusion? |
Planned: |
| Keywords |
Iron and Steel, Computational Materials Science & Engineering, Modeling and Simulation |