About this Abstract |
Meeting |
2023 TMS Annual Meeting & Exhibition
|
Symposium
|
Mechanical Behavior of Nuclear Reactor Materials and Components III
|
Presentation Title |
Multi-scale Modeling of Defect Recombination in Collision Cascade with Molecular Dynamics and Binary Collision Monte Carlo |
Author(s) |
Md Riaz Kayser, Benjamin Beeler, Andrea Jokisaari |
On-Site Speaker (Planned) |
Andrea Jokisaari |
Abstract Scope |
Current needs of the nuclear energy sector drive the demand for quantitative prediction of irradiation-driven microstructure evolution. The binary collision Monte Carlo (BCMC) method is a fast method to calculate defect production from irradiation damage, but the method overestimates the residual defect population due to the lack of defect recombination. A BCMC code developed at Idaho National Laboratory, Magpie, contains a novel defect recombination model designed to address this issue. We rigorously test this defect recombination model to determine its effect on residual defect populations in several metals after BCMC collision cascade modeling. We compare the residual defect populations obtained from molecular dynamics collision cascade simulations and Magpie BCMC-plus-recombination simulations for a variety of primary knock-on atom energies and examine the effect of the Magpie input variables (binding energy, displacement energy, recombination radius etc.) on the accuracy of the residual defect populations. |
Proceedings Inclusion? |
Planned: |
Keywords |
Computational Materials Science & Engineering, Nuclear Materials, Modeling and Simulation |