Published October 7, 2023
| Version 1
Dataset
Open
Data for 'Grain boundary segregation and phase separation in ceria-zirconia from atomistic simulation'
Authors/Creators
- 1. STFC
- 2. University of Huddersfield
- 3. University of Bristol
- 4. University of St Andrews
- 5. University of Bath
Description
Data for the article 'Grain boundary segregation and phase separation in ceria-zirconia from atomistic simulation', including input and output files for simulations, and scripts to perform data analysis and generate figures.
Files
Files
(1.6 GB)
| Name | Size | |
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md5:d6c5c4311c764299557270e4fbe85748
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1.6 GB | Download |
Additional details
Related works
- Is documented by
- Preprint: arXiv:2309.17365 (arXiv)
- Journal article: 10.1016/j.actamat.2024.119872 (DOI)
Funding
- UK Research and Innovation
- Multiscale tuning of interfaces and surfaces for energy applications EP/P007821/1
- UK Research and Innovation
- HIGH END COMPUTING MATERIALS CHEMISTRY CONSORTIUM EP/R029431/1
- UK Research and Innovation
- Materials Chemistry HEC Consortium (MCC) EP/X035859/1
- UK Research and Innovation
- Emergent Nanomaterials (Critical Mass Proposal) EP/R023603/1