| About this Abstract |
| Meeting |
2023 TMS Annual Meeting & Exhibition
|
| Symposium
|
Advances in Multi-Principal Element Alloys II
|
| Presentation Title |
Accelerated Design of Cost-Competitive FCC High Entropy Alloys Superior to IN625 |
| Author(s) |
Kenneth Smith, John Sharon, Ryan Deacon, Soumalya Sarkar, Shunli Shang, Zongrui Pei, Michael C. Gao |
| On-Site Speaker (Planned) |
Michael C. Gao |
| Abstract Scope |
This work aims to design cost-competitive FCC-based high entropy alloys (HEAs) with significantly improved mechanical and oxidation properties than IN625. As the unexplored composition space in HEAs is huge, an efficient and reliable computational approach is hence taken to accelerate alloy discovery. This approach integrates multi-fidelity machine learning, CALPHAD, density functional theory (DFT), and empirical models to quickly identify cost-effective HEA compositions. A series of different objectives and constraints applied to guide selection of alloy candidates. Selected candidates are fabricated and subjected to thermal and mechanical testing along with characterizing the thermally grown oxides. DFT-based calculations are carried out to predict atomic structure, temperature-dependent elastic properties, stable and unstable stacking faults energies of selected HEAs. Effects of dilute solute elements on diffusion coefficients of interstitial and substitutional elements are also predicted by transition state theory. Strategies in accelerating alloy design with improved strength and oxidation resistance will be discussed. |
| Proceedings Inclusion? |
Planned: |
| Keywords |
High-Entropy Alloys, High-Temperature Materials, ICME |