| About this Abstract |
| Meeting |
2024 TMS Annual Meeting & Exhibition
|
| Symposium
|
Accelerated Qualification of Nuclear Materials Integrating Experiments, Modeling, and Theories
|
| Presentation Title |
A Spatially Resolved Scale-bridging Model for Point-defect Clustering Under Irradiation |
| Author(s) |
Sanjoy Kumar Mazumder, Peng Lin, Anter El-Azab, Sreekar Rayaprolu |
| On-Site Speaker (Planned) |
Sreekar Rayaprolu |
| Abstract Scope |
A spatially resolved scale-bridging framework for nucleation and growth of point-defect clusters, under irradiation, is presented. In this framework, nucleation of clusters is treated as a Poisson process that is followed by the growth or shrinkage of defect embryos. Implemented using a Monte Carlo algorithm, this nucleation mechanism is embedded in a diffusion field that enables the nucleation of embryos randomly in the system based on the local conditions, with Gibb’s-Thomson criterion giving the defect density at the clusters as interior boundary condition. The diffusion-reaction equations for point defects are solved using a finite element method in 3D. A physically significant choice of timestep and element size promotes accurate scale-bridging and high fidelity with cluster dynamics predictions. We demonstrate the model by simulating void formation in 3D when vacancies and interstitials are generated by stochastic collision cascades and compare the results with regular cluster dynamics approach. |
| Proceedings Inclusion? |
Planned: |
| Keywords |
Nuclear Materials, Modeling and Simulation, Computational Materials Science & Engineering |