Modeling of Structural Materials:

Our group builds predictive models that explain how structural materials behave when subjected to extreme operating environments. We combine electronic-structure calculations, large-scale molecular dynamics, and mesoscale simulations to identify the atomistic mechanisms that control degradation pathways.

Key thrusts include:

• Fusion environments: quantifying plasma–material interactions, hydrogen retention, and neutron-driven embrittlement in candidate divertor and first-wall alloys.
• High-rate deformation: linking defect nucleation under shock loading to macroscopic strength through multiscale constitutive descriptions.
• Radiation damage tolerance: mapping cascade evolution and microstructural recovery to guide the design of alloys with improved radiation resistance.

By integrating high-fidelity simulations with experimental data, we deliver design rules that accelerate the deployment of durable materials for next-generation energy systems.