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Bioactive sol-gel glasses at the atomic scale: the complementary use of advanced probe and computer modelling methods

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journal contribution
posted on 2016-03-24, 09:20 authored by Jamieson ChristieJamieson Christie, Alastair N. Cormack, John V. Hanna, Richard A. Martin, Robert J. Newport, David M. Pickup, Mark E. Smith
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.

Funding

We thank our respective institutions for their support; the work undertaken in the UK was funded via EPSRC and STFC awards.

History

School

  • Aeronautical, Automotive, Chemical and Materials Engineering

Department

  • Materials

Published in

International Journal of Applied Glass Science

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.

Publisher

© John Wiley and Sons

Version

  • AM (Accepted Manuscript)

Publisher statement

This work is made available according to the conditions of the Creative Commons Attribution-NonCommercial-NoDerivatives 4.0 International (CC BY-NC-ND 4.0) licence. Full details of this licence are available at: https://creativecommons.org/licenses/by-nc-nd/4.0/

Publication date

2016

Notes

This is the peer reviewed version of the following article: 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., which has been published in final form at http://dx.doi.org/10.1111/ijag.12196. This article may be used for non-commercial purposes in accordance with Wiley Terms and Conditions for Self-Archiving.

ISSN

2041-1286

eISSN

2041-1294

Language

  • en