About this Abstract |
Meeting |
2023 TMS Annual Meeting & Exhibition
|
Symposium
|
Computational Thermodynamics and Kinetics
|
Presentation Title |
First-principles Tools for the Design of High Temperature Materials |
Author(s) |
Anirudh Raju Natarajan |
On-Site Speaker (Planned) |
Anirudh Raju Natarajan |
Abstract Scope |
Materials used in high temperature applications are carefully engineered to achieve optimal mechanical properties and chemical durability. Refractory alloys comprising elements from groups four, five and six of the periodic table are an emerging class of high-temperature materials that promise high strength and high thermal stability. However, relationships between alloy chemistry, processing strategies and material properties remain unclear. In this talk, I will highlight how first-principles calculations coupled with statistical mechanics techniques can be used to rigorously describe the thermodynamic and kinetic properties of multicomponent alloys. High-throughput calculations will be used to discern design rules for the formation of single phase multi-principal element refractory alloys. Diffusion mechanisms and phase transformations in multicomponent refractory alloys will also be highlighted. The techniques and results presented in this talk provide important insights for the design of refractory alloys. |
Proceedings Inclusion? |
Planned: |
Keywords |
Phase Transformations, Modeling and Simulation, High-Entropy Alloys |