| About this Abstract |
| Meeting |
2025 TMS Annual Meeting & Exhibition
|
| Symposium
|
Elucidating Microstructural Evolution Under Extreme Environments
|
| Presentation Title |
Impact of Grain Boundary Structures on Defect Evolution in Irradiated Polycrystalline Aluminum Using Molecular Dynamics Simulations |
| Author(s) |
Alhassan Sikpaam Issaka, Assel Aitkaliyeva, Michael R Tonks, Simon R Phillpot |
| On-Site Speaker (Planned) |
Alhassan Sikpaam Issaka |
| Abstract Scope |
Designing materials that can withstand extreme radiation damage presents a significant challenge for advanced nuclear and aerospace applications. A fundamental understanding of high-energy atomic interactions with these materials is crucial for developing materials with desired properties. Here, we employ Molecular Dynamics (MD) simulations to investigate the impact of radiation-induced defect-grain boundary interaction mechanisms through a primary knock-on atom (PKA) approach on aluminum. Our study probes the effect of high-temperature behavior of radiation cascade in aluminum and the extent of damage as a function of the PKA energy using the Norgett−Robinson−Torrens displacements per atom (NRT-dpa) model. We calculated the defect formation energies in systems with various grain boundaries at different locations and examine how defects evolve and migrate over time. Additionally, we quantify the impact of the distance of the PKA from the grain boundary on microstructure evolution. Our findings provide valuable insights into the effects of radiation damage on aluminum |
| Proceedings Inclusion? |
Planned: |
| Keywords |
Computational Materials Science & Engineering, Modeling and Simulation, Nuclear Materials |