About this Abstract |
| Meeting |
2027 TMS Annual Meeting & Exhibition
|
| Symposium
|
Computational Thermodynamics and Kinetics
|
| Presentation Title |
A Composition-Aware Phase-Field Framework for Irradiation-Induced Microstructure Evolution in Fe–Cr Alloys |
| Author(s) |
Mohammad Nahavandian, Anter El-Azab, Enrique Martinez |
| On-Site Speaker (Planned) |
Mohammad Nahavandian |
| Abstract Scope |
We develop a composition-aware phase-field framework to investigate irradiation-induced phase stability, microstructure evolution, and mechanical response in structural Fe–Cr alloys. The model is built based on a free-energy functional for the Fe–Cr system within the framework of irreversible thermodynamics, where the thermodynamic driving force is defined by chemical potential gradients obtained from the derivatives with respect to the concentration of each alloying element. The free-energy formulation incorporates chemical, defect-formation, gradient, elastic, and vibrational contributions to capture irradiation effects. Composition and temperature-dependent Onsager transport coefficients are obtained from atomistic Monte Carlo simulations and fed into the phase-field model. The resulting framework is applied to study the effects of solute concentration, temperature within the low-temperature hardening and embrittlement regime, and irradiation dose rate on phase stability and microstructure evolution. This multiscale approach provides a predictive framework for understanding irradiation-induced degradation in Fe–Cr structural alloys. |
| Proceedings Inclusion? |
Planned: |
| Keywords |
Computational Materials Science & Engineering, Modeling and Simulation, Iron and Steel |