About this Abstract |
| Meeting |
2027 TMS Annual Meeting & Exhibition
|
| Symposium
|
Computational Thermodynamics and Kinetics
|
| Presentation Title |
Multiscale Modeling of Complex Alloys for Fusion Energy |
| Author(s) |
Nicolas Bertin, Nick Ury, Flynn Walsh, Alex Yang, Brandon Bocklund, Aurelien Perron |
| On-Site Speaker (Planned) |
Nicolas Bertin |
| Abstract Scope |
Refractory high entropy alloys (RHEAs) have emerged as promising candidates for first-wall fusion materials due to their high-temperature strength and superior radiation tolerance, attributed to their complex composition. However, predicting and balancing key baseline properties (phase stability, strength-ductility trade-off, thermal conductivity, low neutron activation, etc.) while also understanding RHEA resistance to radiation-induced swelling and hardening remains a challenge. Work at LLNL regarding the development of a multiscale modeling framework that integrates neutronics and thermodynamics calculations, machine-learned interatomic potentials, large-scale atomistic simulations, and kinetic Monte Carlo approaches will be presented. We will discuss how this framework enables accurate, long-term predictions of microstructure evolution (e.g. bubbles/voids, dislocations, etc.) and can help accelerate the discovery of radiation-tolerant alloys for fusion environments.
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 |
High-Entropy Alloys, Modeling and Simulation, Nuclear Materials |