Structure · dataset · 2026
Data for: Oxidation driven lithium uptake in nickel-base alloys – Smoking gun evidence for an inner cathode under LWR conditions
Listed in Researchdata.se
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.
Links
Where it is published
- DOI doi.org/10.71870/ta34-az87 ↗
DOI / persistent id · from researchdata se
Catalogue records · 1
- OAI-PMH record api.researchdata.se/oai-pmh?verb=GetRecord&metadataPrefix=oai_dc&identifier=oai%3A… ↗
metadata API · from researchdata se
Topics
- From keywords
- Chemistry · Earth & Environmental Science · Engineering · Materials Science
- Inferred from text
- Density functional theory 75% · Simulation 75%
Provenance · 1 source records, 11 field assertions
| Source | Key | Last seen | Raw |
|---|---|---|---|
| Researchdata.se | oai:researchdata.se:2026-52/1 | 11 d ago | JSON v1 |
| Field | Assertion | Extractor | Evidence |
|---|---|---|---|
| access_level | source · researchdata se | connector:researchdata_se@1.0.0 | |
| concepts[field].local:field:chemistry | mapping · researchdata se | connector:researchdata_se@1.0.0 | |
| concepts[field].local:field:earth-environmental | mapping · researchdata se | connector:researchdata_se@1.0.0 | |
| concepts[field].local:field:engineering | mapping · researchdata se | connector:researchdata_se@1.0.0 | |
| concepts[field].local:field:materials-science | mapping · researchdata se | connector:researchdata_se@1.0.0 | |
| concepts[method].local:method:dft | enrichment · researchdata se | keyword-concept-rules@1.0.0 | title+description (75%) |
| concepts[method].local:method:simulation | enrichment · researchdata se | keyword-concept-rules@1.0.0 | title+description (75%) |
| description | source · researchdata se | connector:researchdata_se@1.0.0 | /metadata/dc/description |
| license | source · researchdata se | connector:researchdata_se@1.0.0 | /metadata/dc/rights |
| publication_date | source · researchdata se | connector:researchdata_se@1.0.0 | |
| title | source · researchdata se | connector:researchdata_se@1.0.0 | /metadata/dc/title |