Research Data Leeds Repository

Citation

Kim, Yi-Yeoun (2016) Dataset for 'Tuning hardness in calcite by incorporation of amino acids'. University of Leeds. [Dataset] https://doi.org/10.5518/46

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 - Chemistry
Divisions:	Faculty of Engineering and Physical Sciences > School of Chemistry
Related resources:	Location Type https://doi.org/10.1038/nmat4631 Publication https://eprints.whiterose.ac.uk/97282/ 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/39
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/0000-0002-8503-4554 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.uk Last Modified: 22 Aug 2024 12:54

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Documentation

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

Data

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RP_HPLC analysis [43kB] RP_HPLC analysis [43kB] RP_HPLC analysis [43kB] Security: Anyone File name: RP_HPLC_incorporation.xlsx 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] simulation_inclusion energy_RDF [37kB] simulation_inclusion energy_RDF [37kB] Security: Anyone File name: simulation_inclusion_energy_and_rdf.xlsx 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] Nanoindentation [17kB] Nanoindentation [17kB] Security: Anyone File name: Nanoindentation.xlsx 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] Simulation_contour-plot [655B] Simulation_contour-plot [655B] Security: Anyone File name: simulation_contour-plot.py Content type: Data License: Creative Commons Attribution 4.0 International (CC BY 4.0) File size: 655B

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