Published October 7, 2023 | Version 1
Dataset Open

Data for 'Grain boundary segregation and phase separation in ceria-zirconia from atomistic simulation'

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)

Additional details

Related works

Is documented by
Preprint: arXiv:2309.17365 (arXiv)

Funding

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
UK Research and Innovation