| About this Abstract |
| Meeting |
2025 TMS Annual Meeting & Exhibition
|
| Symposium
|
Bridging Scale Gaps in Multiscale Materials Modeling in the Age of Artificial Intelligence
|
| Presentation Title |
The Connection Between Atomistic Defect Clusters and Geometrically Necessary Dislocations in Irradiated Nanocrystals |
| Author(s) |
Sicong He, Emily H Mang, Osman El Atwani, James Nathaniel, Xinran Zhou, Asher Leff, Mitra Taheri, Jaime Marian |
| On-Site Speaker (Planned) |
Jaime Marian |
| Abstract Scope |
A strategy to develop radiation-tolerant structural materials is to create microstructures with a high density of internal defect sinks, such as grain boundaries (GB). However, as GB absorb defects, they undergo internal transformations that limit their ability to capture defects indefinitely. In this presentation, we show that, as the sink efficiency of grain boundaries becomes exhausted with increasing irradiation dose, networks of irradiation loops form in the vicinity of saturated or near-saturated GB, maintaining and even increasing their capacity to continue absorbing defects. The formation of these networks fundamentally changes the driving force for defect absorption at GB, from ‘chemical’ to ‘elastic’. Using thermally activated dislocation dynamics simulations, we show that these networks are consistent with experimental measurements of defect densities near GB. Our results point to these networks as a natural continuation of the GB once they exhaust their internal defect absorption capacity. |
| Proceedings Inclusion? |
Planned: |
| Keywords |
Modeling and Simulation, Nuclear Materials, Computational Materials Science & Engineering |