Atomically resolved tomography to directly inform simulations for structure-property relationships.
- Submitting institution
-
University of Oxford
- Unit of assessment
- 12 - Engineering
- Output identifier
- 9482
- Type
- D - Journal article
- DOI
-
10.1038/ncomms6501
- Title of journal
- Nature communications
- Article number
- ARTN 6501
- First page
- 5501
- Volume
- 5
- Issue
- 1
- ISSN
- 2041-1723
- Open access status
- Out of scope for open access requirements
- Month of publication
- November
- Year of publication
- 2014
- URL
-
-
- Supplementary information
-
https://static-content.springer.com/esm/art%3A10.1038%2Fncomms6501/MediaObjects/41467_2014_BFncomms6501_MOESM910_ESM.pdf
- 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
-
8
- Research group(s)
-
-
- Proposed double-weighted
- No
- Reserve for an output with double weighting
- No
- Additional information
- Atom probes are limited by instrumental deficiencies resulting in a significant fraction of atoms to be unaccounted for in its images. The approach developed is based upon identifying sites in the data from where these atoms are missing. By interrogating the vast statistical information available, we predict identities of these missing atoms, restoring them to the image. The final dataset is a hybrid of experimental and simulated data, an atomically-complete, chemically-resolved and lattice-bound model of a material, that can be used as direct input into simulations, demonstrated here to determine energetics of atomic-clusters responsible for hardening in an AlCuMg alloy.
- Author contribution statement
- -
- Non-English
- No
- English abstract
- -