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Nuclear Materials and Sensors

Nuclear Materials and Sensor Devices

Ab-initio and molecular dynamics modeling techniques are applied to comprehensively study corrosion mechanism on UN surfaces (as shown in the figure below (left)). We derive design methods of stopping & preventing UN corrosion, and guide oxidation and mechanical testing of fuel materials conducted at BSU and INL.

To design high temperature irradiation resistant sensors for nuclear reactors, we combine ab-initio, molecular dynamics modeling, and Boltzmann Transport theory to predict the performance of various metals and alloys under extreme temperatures (as shown in the figure below (right)). Grain growth and fracture mechanism of sensor materials after heat treatment are also investigated with phase field modeling.

molecular structures and their electronic properties. On the left, there's a labeled molecular diagram showing atoms and bonds, while the right side features a heat map.
Graph of voltage vs. temperature for HTIR-Mo, comparing DFT and AIMD data at various temperatures.