Project: Tight binding modelling of hydrogen in irradiated zirconium
Jana Smutna completed her MSc in the CDT for Theory and Simulation of Materials at Imperial College London in 2017. The focus of her PhD project is the developpment and parametrisation of a tight binding model for zirconium and hydrogen. The model will be used for atomistic simulations of irradiation induced defects in zirconium and their effect on hydrogen pickup and corrosion of zirconium alloys. This project is part of the “Mechanistic Understanding in Zirconium Corrosion and Hydrogen Pickup” consortium (MUZIC).