| About this Abstract |
| Meeting |
Materials in Nuclear Energy Systems (MiNES) 2021
|
| Symposium
|
Materials in Nuclear Energy Systems (MiNES) 2021
|
| Presentation Title |
Atomistic Calculations on the Effective Bias of Cavities in BCC Fe |
| Author(s) |
Yuhao Wang, Fei Gao, Brian Wirth |
| On-Site Speaker (Planned) |
Yuhao Wang |
| Abstract Scope |
Cavity swelling is an important topic on F-M alloys and recent research reported that the classic thermal criterion of cavity nucleation lost its explanatory power outside the intermediate temperature regimes. Therefore, the bias was introduced for describing the reaction volume of different types of defects with cavities and the results will provide important inputs for cluster dynamics simulation. Molecular statics calculations were performed to determine the interaction radius and effective bias of single SIA/vacancy, di-SIA/vacancy and 7-SIA/vacancy clusters to voids in BCC Fe. Molecular dynamics simulations were conducted to investigate the rotation and migration behavior of SIA clusters with different sizes when interacting with a void. A specific homogenization method was established to describe the capture volume and mimic the one-dimensional diffusion behavior for large SIA clusters. The effective bias of single defects to He bubbles was also investigated with different bubble pressures and bubble sizes. |
| Proceedings Inclusion? |
Undecided |