About this Abstract |
| Meeting |
2026 TMS Annual Meeting & Exhibition
|
| Symposium
|
Nanostructured Materials in Extreme Environments IV
|
| Presentation Title |
Molecular Dynamics Simulations of Displacement Cascades and Defect Formation in Zr-Nb Due to Irradiation |
| Author(s) |
Tanner Rydalch, Chaitanya S. Deo, Remi Dingreville |
| On-Site Speaker (Planned) |
Chaitanya S. Deo |
| Abstract Scope |
Using Large-scale Atomic/Molecular Massively Parallel Simulator (LAMMPS), we simulate displacement cascades due to irradiation in Zr-Nb alloys of composition 0%-25% Nb with PKA energies ranging from 1 keV to 20 keV and obtain defect counts, defect distribution and displacement cascade volume during the ballistic phase, thermal phase, and relaxation phase of each cascade. It is common to model displacement cascades as roughly spherical, however, the literature shows that this is not always the case and we find that cascades in Zr-Nb tend to distribute energy ellipsoidally. Thus we employ an ellipsoidal model which uses the second moments of the energy distribution and is better suited to characterize irregularly shaped cascades which have not formed branches. |
| Proceedings Inclusion? |
Planned: |
| Keywords |
Nuclear Materials, Modeling and Simulation, Computational Materials Science & Engineering |