About this Abstract |
Meeting |
2023 TMS Annual Meeting & Exhibition
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Symposium
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Materials Genome, CALPHAD, and a Career over the Span of 20, 50, and 60 Years: An FMD/SMD Symposium in Honor of Zi-Kui Liu
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Presentation Title |
A New Modeling Approach for Co-base Superalloys |
Author(s) |
Ursula R. Kattner, Júlio César Pereira dos Santos, Chuan Liu, Sean Griesemer, Peisheng Wang, Carelyn E Campbell |
On-Site Speaker (Planned) |
Ursula R. Kattner |
Abstract Scope |
Knowledge of the phase equilibria in materials systems is essential for the identification of promising alloy candidates and their processing requirements. The CALPHAD method is a well-established tool for obtaining such information. As part of the CHiMaD/NIST project, a database for Co-base gamma/gamma’ superalloys is being developed. The database will include description 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). However, DFT data for only the binary endmembers are in general insufficient to predict realistic homogeneity ranges in multi-component systems and the generation of ternary endmember data is an enormous computational effort. Alternate approaches for the description of the intermediate phase within the framework of existing description of the binary and ternary subsystems will be explored. |
Proceedings Inclusion? |
Planned: |
Keywords |
Computational Materials Science & Engineering, |