About this Abstract |
| Meeting |
2027 TMS Annual Meeting & Exhibition
|
| Symposium
|
Computational Thermodynamics and Kinetics
|
| Presentation Title |
Status of the CALPHAD-type database for Co-base Superalloys |
| Author(s) |
Ursula R. Kattner, Julio Cesar Pereira dos Santos |
| On-Site Speaker (Planned) |
Ursula R. Kattner |
| Abstract Scope |
As part of the CHiMaD/NIST project, a database for Co-base gamma/gamma’ superalloys has been developed. The database includes descriptions of the Gibbs energy and molar volume as functions of temperature and composition. The model parameters are assessed using data from experimental measurements and theoretical predictions, such as density functional theory (DFT). Originally, the compound energy formalism was employed for the description of the topologically close-packed (TCP) phases. However, the description based on the binary endmembers was insufficient to realistically describe the homogeneity ranges in multi-component systems. Therefore, the effective bond energy formalism (EBEF) was explored for the complex intermediate phases within the framework of existing descriptions of the binary and ternary subsystems. Using DFT data for all endmember phases “plug-in” descriptions were developed to give better reliability of the predictions of the higher-component systems. The database is complemented by a molar volume database for the fcc based phases. |
| Proceedings Inclusion? |
Planned: |
| Keywords |
Computational Materials Science & Engineering, Copper / Nickel / Cobalt, Phase Transformations |