We have an opening for a Computational Materials Science Postdoctoral Researcher to participate in research on the development of refractory high-entropy alloys (RHEAs) for survivability in fusion energy environments. You will be part of an interdisciplinary team focused on designing new alloys with enhanced resistance to radiation-induced swelling and hardening under fusion conditions that combines multi-scale modeling, experiments, and AI. To tackle this challenge, you will be a creative force in the development of an advanced multi-scale modeling framework, integrating First-Passage Kinetic Monte Carlo (FP-KMC), on-lattice KMC, and atomistic methods, aiming to enable atomic-scale predictions of microstructural evolution in complex alloys under irradiation over reactor-relevant timescales.
This position is in the Actinides and Lanthanide Science group within the Materials Science Division.
In this role you will
- Develop and validate a multiscale simulation framework for radiation-induced defect evolution in complex alloys, focusing on refractory high entropy alloys (RHEAs).
- Implement the framework in parallel simulation codes intended to run on LLNL supercomputers.
- Integrate FP-KMC, on-lattice KMC, and MD methods to achieve atomic-resolution modeling over extended timescales.
- Parameterize defect migration energies from atomistic simulations and incorporate results into KMC simulations.
- Perform MD simulations to predict primary damage cascades and point defect production rates.
- Analyze simulation outputs to predict macroscopic swelling and strain hardening.
- Interface with experimentalists and AI practitioners to validate models and propose directions for alloys property optimization.
- Work both independently and collaborate with others in a multidisciplinary team environment to accomplish program goals.
- Publish research results in peer-reviewed scientific journals and present results at external conferences, seminars, and/or technical meetings.
- Perform other duties as assigned.