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Please use this identifier to cite or link to this item: https://dspace.lboro.ac.uk/2134/20704

Title: Bioactive sol-gel glasses at the atomic scale: the complementary use of advanced probe and computer modelling methods
Authors: Christie, Jamieson K.
Cormack, Alastair N.
Hanna, John V.
Martin, Richard A.
Newport, Robert J.
Pickup, David M.
Smith, Mark E.
Keywords: X-ray diffraction
Neutron diffraction
Solid state NMR
Molecular dynamics
Sol-gel bioactive glasses
Issue Date: 2016
Publisher: © John Wiley and Sons
Citation: CHRISTIE, J.K. ... et al., 2016. Bioactive sol-gel glasses at the atomic scale: the complementary use of advanced probe and computer modelling methods. International Journal of Applied Glass Science, 7 (2), pp. 147-153.
Abstract: Sol-gel synthesised bioactive glasses may be formed via a hydrolysis condensation reaction, silica being introduced in the form of tetraethyl orthosilicate (TEOS) and calcium is typically added in the form of calcium nitrate. The synthesis reaction proceeds in an aqueous environment; the resultant gel is dried, before stabilisation by heat treatment. These materials, being amorphous, are complex at the level of their atomic-scale structure, but their bulk properties may only be properly understood on the basis of that structural insight. Thus, a full understanding of their structure : property relationship may only be achieved through the application of a coherent suite of leading-edge experimental probes, coupled with the cogent use of advanced computer simulation methods. Using as an exemplar a calcia-silica sol-gel glass of the kind developed by Larry Hench, to whose memory this paper is dedicated, we illustrate the successful use of high-energy x-ray and neutron scattering (diffraction) methods, magic-angle spinning solid state NMR, and molecular dynamics simulation as components to a powerful methodology for the study of amorphous materials.
Description: This paper is embargoed until April 2017.
Sponsor: We thank our respective institutions for their support; the work undertaken in the UK was funded via EPSRC and STFC awards.
Version: Accepted for publication
DOI: 10.1111/ijag.12196
URI: https://dspace.lboro.ac.uk/2134/20704
Publisher Link: http://dx.doi.org/10.1111/ijag.12196
ISSN: 2041-1286
Appears in Collections:Closed Access (Materials)

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