About this Abstract |
| Meeting |
2026 TMS Annual Meeting & Exhibition
|
| Symposium
|
Environmental Degradation of Multiple Principal Component Materials
|
| Presentation Title |
Computational Design of Cost-Effective Multi-Functional Environmental Barrier Coatings |
| Author(s) |
Shiqiang Hao, Richard Oleksak, Michael C. Gao |
| On-Site Speaker (Planned) |
Michael C. Gao |
| Abstract Scope |
The objective of this work is to rapidly design low-cost thermal/environmental barrier coatings (TEBC) that possess superior material properties for protecting SiC-based substrates in gas turbine applications at temperatures over 1500 C. The design focuses on high entropy rare earth disilicates with optimal additives to achieve balanced properties: low thermal conductivity, matching coefficient of thermal expansion (CTE) with SiC, thermal stability, high temperature strength, fracture toughness, and resistance to corrosion by water vapor and CMAS, while also remaining affordable. Density functional theory (DFT) calculations are carried out to predict key intrinsic properties including phase stability, CTE, lattice thermal conductivity, and temperature-dependent elastic constants. Low oxygen diffusivity is identified as a criterion for designing the additive, and is predicted for rare-earth disilicates, Al-Y-O oxides, and Al-Yb-O oxides. Computational results are compared with experiments where available, and computational design of multi-functional EBC will be discussed. |
| Proceedings Inclusion? |
Planned: |
| Keywords |
Computational Materials Science & Engineering, Ceramics, Environmental Effects |