| About this Abstract |
| Meeting |
MS&T24: Materials Science & Technology
|
| Symposium
|
2024 Graduate Student Poster Contest
|
| Presentation Title |
SPG-52: Thermomechanical Properties of Rare Earth Phosphates as Environmental Barrier Coatings |
| Author(s) |
Jelili Olamilekan Kazeem, Liping Huang, Bishnu Pada Majee, Jie Lian, Keith Bryce |
| On-Site Speaker (Planned) |
Jelili Olamilekan Kazeem |
| Abstract Scope |
Rare earth phosphates have been shown as promising materials for environmental barrier coatings (EBCs) to protect SiC-based ceramic matrix composites (CMCs) from extreme environments. Thermomechanical properties of single component and multicomponent rare earth phosphates have been studied using high throughput density functional theory (DFT) calculations. DFT computations were done with the Vienna Ab Initio Simulation Package (VASP) which has been incorporated within the AFLOW computational materials design framework. AFLOW elastic and Gibbs Library (AEL & AGL) were used for mechanical and thermal property calculations, respectively. More accurate results for the thermal properties were obtained using the Quasi Harmonic Approximation module (AFLOW-QHA). Multicomponent rare earth phosphates showed enhanced properties as they give lower thermal conductivity than those of single component phosphates, and coefficient of thermal expansion values close to that of the SiC-based CMCs. High entropy rare earth phosphates could therefore be used as a means for rapid design of EBCs. |