About this Abstract |
| Meeting |
Materials in Nuclear Energy Systems (MiNES) 2025
|
| Symposium
|
Materials in Nuclear Energy Systems (MiNES) 2025
|
| Presentation Title |
Atomistic Investigation of a<100> Loop Formation in BCC Iron |
| Author(s) |
Anthony Francis Tom, Dwaipayan Dasgupta, Brian Wirth |
| On-Site Speaker (Planned) |
Anthony Francis Tom |
| Abstract Scope |
Reduced activation ferritic martensitic (RAFM) steels are leading candidates for structural materials in fusion and advanced fission environments. To obtain a better understanding of dislocation loop formation and growth in these steels, molecular dynamics (MD) simulations and nudged elastic band (NEB) calculations were performed in LAMMPS. The interaction between similarly sized prismatic a/2<111> loops was investigated. These loops interacted to form junctions that could propagate into either an a<100> or a/2<111> loop. MD simulations were used to explore various reaction pathways, while NEB calculations were performed to parameterize the energy barriers for those reactions. These barriers are intended to inform reaction kinetics in cluster dynamics simulations and predict microstructure formation in reactor environments. It was found that these junctions could produce either an a/2<111> loop with a Burgers vector same as one of the interacting loops, or a variety of different a<100> loops. Additionally, the influence of helium, generated in transmutation reactions in a fusion-environment, will be discussed due to its significant impact on loop formation reactions. |
| Proceedings Inclusion? |
Undecided |