About this Abstract |
| Meeting |
2026 TMS Annual Meeting & Exhibition
|
| Symposium
|
Local Chemical Ordering and Its Impact on Mechanical Behaviors, Radiation Damage, and Corrosion
|
| Presentation Title |
Computational Studies of Thermodynamics and Ordering Kinetics of BCC/B2 Microstructures in W–Ta Refractory Alloys |
| Author(s) |
Pravendra Patel, Zhucong Xi, Liang Qi |
| On-Site Speaker (Planned) |
Pravendra Patel |
| Abstract Scope |
Refractory alloys are critical for high-temperature applications due to their superior strength and thermal stability. Among them, alloys exhibiting a BCC/B2 microstructure have been identified as promising candidates for achieving an optimal balance between strength and ductility. In this work, we investigate both the thermodynamic stability and ordering kinetics in the W–Ta system. While theoretical studies have suggested the possibility of B2 ordering at temperatures below 1000 K, this behavior is rarely observed experimentally. Using ab initio calculations combined with the cluster expansion method, we predict the stability of potential ordered phases. We perform kinetic Monte Carlo (kMC) simulations at constant temperature and simulate quenching processes by iteratively updating the kMC temperature based on simulated cooling rate profiles to model the effects of different thermal processing conditions on ordering kinetics. This integrated thermodynamic-kinetic approach offers new insights into designing refractory alloys with tailored microstructures for high-temperature applications. |
| Proceedings Inclusion? |
Planned: |
| Keywords |
High-Temperature Materials, Phase Transformations, Modeling and Simulation |