Data · dataset · 2024
Data of First-principles study of diffusion behaviors of Cs and I in Cr coating
Listed in ScienceDB
The binding energies of Cs and I atoms to neighboring 1nn to 4nn vacancies in Cr matrix were obtained by first-principles method.
Description
The diffusion coeffcients of Cr, Cs and I in Cr matrix in the temperature range of Generation IV fast reactors around 500 - 1000 K were obtained by combining using Le Claire’s self-diffusion model, Bocquet’s oversized solute atoms model and Le Claire’s nine-frequency model, respectively.
Data of density of states (DOS) of these atoms in different chemical environments are also presented.
Links
Where it is published
- DOI doi.org/10.57760/sciencedb.16986 ↗
DOI / persistent id · from scidb cn
Catalogue records · 1
- OAI-PMH record scidb.cn/oai?verb=GetRecord&metadataPrefix=oai_dc&identifier=10.57760%2… ↗
metadata API · from scidb cn
Topics
- From keywords
- Chemistry · Earth & Environmental Science · Energy · Engineering · Humanities · Life Sciences · Social Science
- Inferred from text
- Physical chemistry 72%
Provenance · 1 source records, 13 field assertions
| Source | Key | Last seen | Raw |
|---|---|---|---|
| ScienceDB | 10.57760/sciencedb.16986 | 11 d ago | JSON v1 |
| Field | Assertion | Extractor | Evidence |
|---|---|---|---|
| access_level | source · scidb cn | connector:scidb_cn@1.0.0 | |
| concepts[field].anzsrc:group:3406 | enrichment · scidb cn | taxonomy-embedding@1.0.0 | title+keywords+description (72%) |
| concepts[field].local:field:chemistry | mapping · scidb cn | connector:scidb_cn@1.0.0 | |
| concepts[field].local:field:earth-environmental | mapping · scidb cn | connector:scidb_cn@1.0.0 | |
| concepts[field].local:field:energy | mapping · scidb cn | connector:scidb_cn@1.0.0 | |
| concepts[field].local:field:engineering | mapping · scidb cn | connector:scidb_cn@1.0.0 | |
| concepts[field].local:field:humanities | mapping · scidb cn | connector:scidb_cn@1.0.0 | |
| concepts[field].local:field:life-sciences | mapping · scidb cn | connector:scidb_cn@1.0.0 | |
| concepts[field].local:field:social-science | mapping · scidb cn | connector:scidb_cn@1.0.0 | |
| description | source · scidb cn | connector:scidb_cn@1.0.0 | /metadata/dc/description |
| license_text | source · scidb cn | connector:scidb_cn@1.0.0 | |
| publication_date | source · scidb cn | connector:scidb_cn@1.0.0 | |
| title | source · scidb cn | connector:scidb_cn@1.0.0 | /metadata/dc/title |