A. Alivaliollahi

An atomistic modelling approach to the thermodynamic and structural response of zirconium to hydrogen-defect interactions

Zirconium and its alloys are widely used in nuclear applications due to their low neutron absorption, corrosion resistance, and favorable mechanical properties. However, hydrogen uptake and irradiation-induced defects (vacancies and self-interstitial atoms (SIAs)) can significantly degrade performance. In this work, mo...