About this Abstract |
Meeting |
2023 TMS Annual Meeting & Exhibition
|
Symposium
|
Nanostructured Materials in Extreme Environments
|
Presentation Title |
Multi-scale Framework to Simulate the Long-term
Diffusion Radiation-induced Defects in Nano-crystalline Materials |
Author(s) |
Mohamed Hendy, Okan K. Orhan, Mauricio Ponga |
On-Site Speaker (Planned) |
Mohamed Hendy |
Abstract Scope |
Materials subjected to radiation environments experience a large spectrum of microstructural changes, impacting the mechanical properties of these materials over time. The processes involved in radiation-induced damage can span multiple length and time scales and are thus inherently multiscale and hierarchical. The initial damage occurs in the time span of picoseconds while the diffusion of the induced defects especially vacancies occur in the range of seconds, days and years which is beyond the capabilities of the classical molecular dynamics (MD) models. This requires the development of multi-scales models capable of capturing the phenomenon of interest at different time scales. This work presents a multiscale and multiphysics framework to investigate the radiation-induced damage in nano-crystalline materials. The framework combines two methodologies, including molecular dynamics simulations with electronic effects and long-term atomistic diffusion simulations in nano-crystalline materials. Using this framework, we investigated nano-crystalline materials' self-healing behaviour under radiation events. |
Proceedings Inclusion? |
Planned: |
Keywords |
Computational Materials Science & Engineering, Nuclear Materials, Modeling and Simulation |