Data för: Oxidation driven lithium uptake in nickel-base alloys – Smoking gun evidence for an inner cathode under LWR conditions Data for: Oxidation driven lithium uptake in nickel-base alloys – Smoking gun evidence for an inner cathode under LWR conditions 2026-52-1 https://doi.org/10.71870/ta34-az87 Swedish National Data Service Svensk nationell datatjänst Landing page Data för: Oxidation driven lithium uptake in nickel-base alloys – Smoking gun evidence for an inner cathode under LWR conditions Data for: Oxidation driven lithium uptake in nickel-base alloys – Smoking gun evidence for an inner cathode under LWR conditions 2026-52-1 https://doi.org/10.71870/ta34-az87 oai:research.chalmers.se:4a543b08-5ecc-460f-ab2c-11eae93f25d2 10.1016/j.jnucmat.2026.156514 Meier de Andrade, Ageo Meier de Andrade, Ageo Geers, Christine Geers, Christine Chen, Jiaxin Chen, Jiaxin Panas, Itai Panas, Itai SSM2021-7174 SSM2021-7174 2023-00209 2023-00209 Swedish National Data Service Svensk nationell datatjänst Landing page 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. Datamaterialet innehåller (i) slutresultatet av beräkningar av densitetsfunktionsteori lagrade i Atomic Simulation Environment (ASE)-databaser och (ii) Python Jupyter notebooks som användes för att beräkna reaktionsentalpi för bildning och strukturella parametrar baserade på lagrade utdata i dessa databaser. Numeric Text Interactive resource Access to data through SND. Data are freely accessible. Åtkomst till data via SND. Data är fritt tillgängliga. openAccess Meier de Andrade, A., Geers, C., Chen, J., & Panas, I. (2026). Oxidation-Driven Lithium Uptake in Nickel-Base Alloys – Smoking-Gun Evidence for an Inner Cathode under LWR Conditions. In Journal of Nuclear Materials (No. 156514; Vol. 625). https://doi.org/10.1016/j.jnucmat.2026.156514 Meier de Andrade, A., Geers, C., Chen, J., & Panas, I. (2026). Oxidation-Driven Lithium Uptake in Nickel-Base Alloys – Smoking-Gun Evidence for an Inner Cathode under LWR Conditions. In Journal of Nuclear Materials (No. 156514; Vol. 625). https://doi.org/10.1016/j.jnucmat.2026.156514 10.1016/j.jnucmat.2026.156514 oai:research.chalmers.se:4a543b08-5ecc-460f-ab2c-11eae93f25d2 2026 oai:research.chalmers.se:4a543b08-5ecc-460f-ab2c-11eae93f25d2