About this Abstract |
| Meeting |
2027 TMS Annual Meeting & Exhibition
|
| Symposium
|
Computational Thermodynamics and Kinetics
|
| Presentation Title |
First-Passage Kinetic Monte Carlo for High DPA Swelling Predictions |
| Author(s) |
Nicholas Ury, Nicolas Bertin, Aurelien Perron |
| On-Site Speaker (Planned) |
Nicholas Ury |
| Abstract Scope |
Plasma facing materials in fusion reactors must be able to withstand high temperatures and high neutron fluxes over several years of service. Refractory high entropy alloys are promising candidates due to their high temperature strength and radiation resistance. However, complex alloy chemistries, impurities and transmutation products results in highly complex swelling behavior. Kinetic Monte Carlo can capture detailed physical phenomena but are limited by short time scales. Mean-field rate theory enables long-term predictions but cannot account for non-uniform spatial distribution of defects such as cascades. First-passage kinetic Monte Carlo can address these issues by enabling simulations over large timescales while still preserving the underlying physics. Strategies on how to encode complex alloy chemistries while still maintaining the performance of FPKMC will be discussed.
This work was performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344. |
| Proceedings Inclusion? |
Planned: |
| Keywords |
Computational Materials Science & Engineering, High-Entropy Alloys, Nuclear Materials |