A many-body potential approach to modelling the thermomechanical properties of actinide oxides
- Submitting institution
-
Imperial College of Science, Technology and Medicine
- Unit of assessment
- 12 - Engineering
- Output identifier
- 264
- Type
- D - Journal article
- DOI
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10.1088/0953-8984/26/10/105401
- Title of journal
- Journal of Physics: Condensed Matter
- Article number
- 105401
- First page
- -
- Volume
- 26
- Issue
- 10
- ISSN
- 0953-8984
- Open access status
- Out of scope for open access requirements
- Month of publication
- February
- Year of publication
- 2014
- URL
-
-
- Supplementary information
-
10.1088/0953-8984/26/10/105401
- Request cross-referral to
- -
- Output has been delayed by COVID-19
- No
- COVID-19 affected output statement
- -
- Forensic science
- No
- Criminology
- No
- Interdisciplinary
- No
- Number of additional authors
-
2
- Research group(s)
-
-
- Proposed double-weighted
- No
- Reserve for an output with double weighting
- No
- Additional information
- Prior to this work, atomic scale prediction of nuclear ceramics’ thermomechanical properties was a failure. The missing physics was provided by an adapted many-body term of the type used in metals modelling. The potential was recognised immediately by the IOP who selected the paper as one of their ‘featured articles’ for 2014. The approach has been used extensively by Los Alamos National Laboratory (e.g. LA-UR-16-23474) and the premier Indian Atomic Research Centre BARC. The efficacy to predict temperature dependence led to new funding EP/T013990/1 linked to support from the Nuclear Decommissioning Authority.
- Author contribution statement
- -
- Non-English
- No
- English abstract
- -