About this Abstract |
| Meeting |
2027 TMS Annual Meeting & Exhibition
|
| Symposium
|
Modeling, AI Applications, and Method Development in Nuclear Materials
|
| Presentation Title |
Advances and Challenges in Microstructure Evolution Models for Nuclear Materials under Irradiation |
| Author(s) |
Maria J. Caturla |
| On-Site Speaker (Planned) |
Maria J. Caturla |
| Abstract Scope |
Nuclear materials undergo continuous microstructural changes induced by irradiation, particularly high energy neutrons. These changes, that originate at the atomic scale level, result in the degradation of mechanical, electrical, thermal and optical properties of materials. Predicting this dynamic microstructure and connecting to the macroscopic changes is one of the great challenges of nuclear materials modeling due to the vast number of variables involved, from the complexity of materials to the conditions (irradiation dose, dose rate or temperature and stress gradients). Significant advances have been achieved using a combination of molecular dynamics, kinetic Monte Carlo and cluster dynamics models. These simulations highlight the critical role of the primary damage, the defect distribution formed on picosecond timescales. The status of these simulations will be reviewed describing how AI could contribute with more accurate models through better interatomic potentials and with more efficient parameter selection with the use of Large Language Models. |
| Proceedings Inclusion? |
Planned: |
| Keywords |
Computational Materials Science & Engineering, Iron and Steel, Modeling and Simulation |