| 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 |
On the development of the next generation of thermodynamic models of metallic solid solutions. |
| Author(s) |
Jean-Philippe Harvey |
| On-Site Speaker (Planned) |
Jean-Philippe Harvey |
| Abstract Scope |
The accurate evaluation of the energetic behavior of metallic solid solutions is of prime importance in the context of the CALPHAD method. The development of new alloys via the ICME requires the calculation of complex phase assemblages involving these metallic solid solutions for a wide range of compositions and temperatures. The effect of strain on the formation and stability of precipitates during the elaboration of alloys is another element to describe if one wants to refine the description of phase assemblage occurring in these materials.
In this presentation, the integration of classical interatomic potentials and of internal structure properties into the formulation of new thermodynamic models of metallic solid solutions is discussed. A quasiharmonic-based approach is also implemented in these new solution models. As a result, precise evaluations of both thermodynamic properties and phase transitions are obtained. Volumetric properties are also directly calculated from the constrained Gibbs energy minimization. |
| Proceedings Inclusion? |
Planned: |
| Keywords |
Computational Materials Science & Engineering, Phase Transformations, Modeling and Simulation |