Research Data Leeds Repository

Dataset for 'Tuning hardness in calcite by incorporation of amino acids'

Citation

Kim, Yi-Yeoun (2016) Dataset for 'Tuning hardness in calcite by incorporation of amino acids'. University of Leeds. [Dataset] https://doi.org/10.5518/46¹

Dataset description

This work investigates the origin of the superior hardness of biogenic calcite by creating “model biominerals” from calcite single crystals containing glycine (0-7 mol%) or aspartic acid (0-4 mol%). Lattice distortions in these crystals were analyzed using x-ray diffraction and molecular dynamics simulations, while SS-NMR showed that the amino acids are incorporated as individual molecules. Nanoindentation hardness increased with amino acid content, reaching values equivalent to their biogenic counterparts. Finally, a dislocation pinning model reveals that the enhanced hardness is determined by the force required to cut covalent bonds in the molecules.

Subjects:	F000 - Physical sciences > F100 - Chemistry2
Divisions:	Faculty of Engineering and Physical Sciences > School of Chemistry3
Related resources:	Location Type https://doi.org/10.1038/nmat46314 Publication https://eprints.whiterose.ac.uk/97282/5 Publication
License:	Creative Commons Attribution 4.0 International (CC BY 4.0)
Date deposited:	13 Apr 2016 14:53
URI:	https://archive.researchdata.leeds.ac.uk/id/eprint/396
Additional details Additional details Creators or authors: Creators ORCID Other ID Email Primary affiliation Primary affiliation ID Primary affiliation ID type Secondary affiliation Secondary affiliation ID Secondary affiliation ID type Kim, Yi-Yeoun https://orcid.org/0000-0002-8503-45547 University of Leeds https://ror.org/024mrxd33 ror Type of data: Dataset Research funders: EPSRC Collection period: Date from Date to 2011 2015 Publication date: 2016 Resource language: English Metadata language: English Publisher: University of Leeds Contact email: Y.Y.Kim@leeds.ac.uk8 Last Modified: 22 Aug 2024 12:54

Files

Documentation

content [1kB] 9 content [1kB] 10 content [1kB] 11 Security: Anyone File name: readme.txt12 Content type: Documentation Mime-Type: text/plain License: Creative Commons Attribution 4.0 International (CC BY 4.0) File size: 1kB

Data

supplementary information [1MB] 13 supplementary information [1MB] 14 supplementary information [1MB] 15 Security: Anyone File name: supplementary.pdf16 Content type: Data Mime-Type: application/pdf License: Creative Commons Attribution 4.0 International (CC BY 4.0) File size: 1MB

RP_HPLC analysis [43kB] 17 RP_HPLC analysis [43kB] 18 RP_HPLC analysis [43kB] 19 Security: Anyone File name: RP_HPLC_incorporation.xlsx20 Content type: Data Mime-Type: application/vnd.openxmlformats-officedocument.spreadsheetml.sheet License: Creative Commons Attribution 4.0 International (CC BY 4.0) File size: 43kB

simulation_inclusion energy_RDF [37kB] 21 simulation_inclusion energy_RDF [37kB] 22 simulation_inclusion energy_RDF [37kB] 23 Security: Anyone File name: simulation_inclusion_energy_and_rdf.xlsx24 Content type: Data Mime-Type: application/vnd.openxmlformats-officedocument.spreadsheetml.sheet License: Creative Commons Attribution 4.0 International (CC BY 4.0) File size: 37kB

Nanoindentation [17kB] 25 Nanoindentation [17kB] 26 Nanoindentation [17kB] 27 Security: Anyone File name: Nanoindentation.xlsx28 Content type: Data Mime-Type: application/vnd.openxmlformats-officedocument.spreadsheetml.sheet License: Creative Commons Attribution 4.0 International (CC BY 4.0) File size: 17kB

Simulation_contour-plot [655B] 29 Simulation_contour-plot [655B] 30 Simulation_contour-plot [655B] 31 Security: Anyone File name: simulation_contour-plot.py32 Content type: Data License: Creative Commons Attribution 4.0 International (CC BY 4.0) File size: 655B

Synchrotron XRD data [10MB] 33 Synchrotron XRD data [10MB] 34 Synchrotron XRD data [10MB] 35 Security: Anyone File name: XRD_raw.zip36 Content type: Data Mime-Type: application/zip License: Creative Commons Attribution 4.0 International (CC BY 4.0) File size: 10MB

• 1. https://doi.org/10.5518/46
• 2. https://archive.researchdata.leeds.ac.uk/view/subjects/F100.html
• 3. https://archive.researchdata.leeds.ac.uk/view/divisions/CHEM/
• 4. https://doi.org/10.1038/nmat4631
• 5. https://eprints.whiterose.ac.uk/97282/
• 6. https://archive.researchdata.leeds.ac.uk/id/eprint/39
• 7. https://orcid.org/0000-0002-8503-4554
• 8. mailto:Y.Y.Kim@leeds.ac.uk
• 9. https://archive.researchdata.leeds.ac.uk/39/1/readme.txt
• 10. https://archive.researchdata.leeds.ac.uk/39/1/readme.txt
• 11. https://archive.researchdata.leeds.ac.uk/39/1/readme.txt
• 12. https://archive.researchdata.leeds.ac.uk/39/1/readme.txt
• 13. https://archive.researchdata.leeds.ac.uk/39/2/supplementary.pdf
• 14. https://archive.researchdata.leeds.ac.uk/39/2/supplementary.pdf
• 15. https://archive.researchdata.leeds.ac.uk/39/2/supplementary.pdf
• 16. https://archive.researchdata.leeds.ac.uk/39/2/supplementary.pdf
• 17. https://archive.researchdata.leeds.ac.uk/39/3/RP_HPLC_incorporation.xlsx
• 18. https://archive.researchdata.leeds.ac.uk/39/3/RP_HPLC_incorporation.xlsx
• 19. https://archive.researchdata.leeds.ac.uk/39/3/RP_HPLC_incorporation.xlsx
• 20. https://archive.researchdata.leeds.ac.uk/39/3/RP_HPLC_incorporation.xlsx
• 21. https://archive.researchdata.leeds.ac.uk/39/4/simulation_inclusion_energy_and_rdf.xlsx
• 22. https://archive.researchdata.leeds.ac.uk/39/4/simulation_inclusion_energy_and_rdf.xlsx
• 23. https://archive.researchdata.leeds.ac.uk/39/4/simulation_inclusion_energy_and_rdf.xlsx
• 24. https://archive.researchdata.leeds.ac.uk/39/4/simulation_inclusion_energy_and_rdf.xlsx
• 25. https://archive.researchdata.leeds.ac.uk/39/5/Nanoindentation.xlsx
• 26. https://archive.researchdata.leeds.ac.uk/39/5/Nanoindentation.xlsx
• 27. https://archive.researchdata.leeds.ac.uk/39/5/Nanoindentation.xlsx
• 28. https://archive.researchdata.leeds.ac.uk/39/5/Nanoindentation.xlsx
• 29. https://archive.researchdata.leeds.ac.uk/39/6/simulation_contour-plot.py
• 30. https://archive.researchdata.leeds.ac.uk/39/6/simulation_contour-plot.py
• 31. https://archive.researchdata.leeds.ac.uk/39/6/simulation_contour-plot.py
• 32. https://archive.researchdata.leeds.ac.uk/39/6/simulation_contour-plot.py
• 33. https://archive.researchdata.leeds.ac.uk/39/7/XRD_raw.zip
• 34. https://archive.researchdata.leeds.ac.uk/39/7/XRD_raw.zip
• 35. https://archive.researchdata.leeds.ac.uk/39/7/XRD_raw.zip
• 36. https://archive.researchdata.leeds.ac.uk/39/7/XRD_raw.zip