https://researchdata.se/en/catalogue Researchdata.se Search results en Data for: Oxidation driven lithium uptake in nickel-base alloys – Smoking gun evidence for an inner cathode under LWR conditions Data material contains (i) the final output of Density Functional Theory calculations stored in Atomic Simulation Environment (ASE) databases and (ii) Python Jupyter notebooks that were used to calculate reactions enthalpy of formation and structural parameters based on outputs stored in these databases. Thu, 30 Apr 2026 06:33:28 GMT https://researchdata.se/en/catalogue/dataset/2026-52 https://researchdata.se/en/catalogue/dataset/2026-52 Chalmers University of Technology Ageo Meier de Andrade Christine Geers Jiaxin Chen Itai Panas