About this Abstract |
| Meeting |
2026 TMS Annual Meeting & Exhibition
|
| Symposium
|
Microstructure-Sensitive Modeling Across Length Scales: An MPMD/SMD Symposium in Honor of David L. McDowell
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| Presentation Title |
Radiation-Induced Dislocation Nucleation and Transformation in Aluminum Using Molecular Dynamics |
| Author(s) |
Alhassan Sikpaam Issaka, Assel Research Aitkaliyeva, Michael R Tonks, Simon R Phillpot |
| On-Site Speaker (Planned) |
Alhassan Sikpaam Issaka |
| Abstract Scope |
We use molecular dynamics simulations to probe high-dose damage accumulation in aluminum via iterative kinetic approach (IKA), a reliable and inexpensive approach. In IKA, we repeatedly insert Frenkel pairs, guided by cascade physics and corrected using the athermal recombination correction (arc-DPA). We efficiently replicate the longer-time effects of primary knock-on atom processes and achieve damage levels comparable to those in conventional cascade simulations. We demonstrate that IKA generates dislocation segments and networks whose types, densities, and topologies are compared with overlapping cascades. Systematic analysis of the entire damage reveals detailed mechanisms of dislocation nucleation, absorption and transformation of different dislocations. We further quantify the concurrent formation of stacking-fault tetrahedra and compare the overall dislocation density against literature values for similarly irradiated materials. Our results offer new insights into radiation-induced dislocation mechanisms in aluminum and establish IKA as a powerful approach for exploring structure–property relationships under extreme conditions. |
| Proceedings Inclusion? |
Planned: |
| Keywords |
Aluminum, Modeling and Simulation, Computational Materials Science & Engineering |