Data · dataset · 2018
BCC Interstitial Defect Classification Code
Listed in Teesside University Research Data Repository
Generals This code reads atomic coordination file formatted in '.contcar' and identify their interstitial defect structure.
Description
This codes can classify if the given structure is bridge dumbbell / bridge crowdion / <111> dumbbell / <111> crowdion based on their characteristic patterns in bond angle distribution. Restrictions 1.
This code only works with bcc structures with 129 atoms that contains a interstitial atom. 2. The atom coordination file should be edited to feed. 3. This code cannot identify different defect types except defect types specified above.
Read the rest (1 more)
Descriptions of attached files 1. structureAnal: main function 2. dispAtomIndexing: preprocessing function (atom indexing) 3. rawDataReader: function that reads contcar files 4. rawData1001: example of raw data input file
Links
Where it is published
- DOI doi.org/10.17632/7r8gh9hdnf.2 ↗
DOI / persistent id · from researchdata tees ac uk
Catalogue records · 1
- OAI-PMH record data.mendeley.com/oai?verb=GetRecord&metadataPrefix=oai_dc&identifier=oai%3Adata… ↗
metadata API · from researchdata tees ac uk
Topics
- From keywords
- Earth & Environmental Science · Engineering · Humanities · Life Sciences · Social Science
Provenance · 1 source records, 10 field assertions
| Source | Key | Last seen | Raw |
|---|---|---|---|
| Teesside University Research Data Repository | oai:data.mendeley.com/7r8gh9hdnf.2 | 8 d ago | JSON v1 |
| Field | Assertion | Extractor | Evidence |
|---|---|---|---|
| access_level | source · researchdata tees ac uk | connector:researchdata_tees_ac_uk@1.0.0 | |
| concepts[field].local:field:earth-environmental | mapping · researchdata tees ac uk | connector:researchdata_tees_ac_uk@1.0.0 | |
| concepts[field].local:field:engineering | mapping · researchdata tees ac uk | connector:researchdata_tees_ac_uk@1.0.0 | |
| concepts[field].local:field:humanities | mapping · researchdata tees ac uk | connector:researchdata_tees_ac_uk@1.0.0 | |
| concepts[field].local:field:life-sciences | mapping · researchdata tees ac uk | connector:researchdata_tees_ac_uk@1.0.0 | |
| concepts[field].local:field:social-science | mapping · researchdata tees ac uk | connector:researchdata_tees_ac_uk@1.0.0 | |
| description | source · researchdata tees ac uk | connector:researchdata_tees_ac_uk@1.0.0 | /metadata/dc/description |
| license | source · researchdata tees ac uk | connector:researchdata_tees_ac_uk@1.0.0 | /metadata/dc/rights |
| publication_date | source · researchdata tees ac uk | connector:researchdata_tees_ac_uk@1.0.0 | |
| title | source · researchdata tees ac uk | connector:researchdata_tees_ac_uk@1.0.0 | /metadata/dc/title |