| About this Abstract |
| Meeting |
2024 TMS Annual Meeting & Exhibition
|
| Symposium
|
Accelerated Qualification of Nuclear Materials Integrating Experiments, Modeling, and Theories
|
| Presentation Title |
Multi-scale Simulations on Preferential Absorption Behavior of Cavities in BCC Fe |
| Author(s) |
Yuhao Wang, Fei Gao, Brian Wirth |
| On-Site Speaker (Planned) |
Yuhao Wang |
| Abstract Scope |
Understanding the mechanisms of cavity nucleation and growth in ferritic-martensitic steels is important for designing new alloys for extreme environments. In this work, a comprehensive assessment of the absorption preference of cavities with different sizes and gas pressure to various kinds of defects from radiation damage is conducted by applying both atomistic and kinetic Monte Carlo (KMC) simulations. Atomistic simulations are performed to calculate the interaction distance and effective bias factor for cavities when capturing different defects based on a diffusion-controlled kinetics model. Furthermore, molecular dynamics simulations show that a reaction-controlled mechanism also contributes to the overall absorption behaviors. The contributions of both kinetics mechanisms are validated with KMC simulations by comparing the absorption rate between interstitials and vacancies for cavities under different pressure conditions. This study can provide critical microstructural inputs to further KMC and cluster dynamics simulations for cavity evolution under irradiation. |
| Proceedings Inclusion? |
Planned: |
| Keywords |
Other, Other, Other |