Rights statement: This is the peer reviewed version of the following article: Christie, J. K., Cormack, A. N., Hanna, J. V., Martin, R. A., Newport, R. J., Pickup, D. M. and Smith, M. E. (2016), Bioactive Sol–Gel Glasses at the Atomic Scale: The Complementary Use of Advanced Probe and Computer Modeling Methods. Int J Appl Glass Sci, 7: 147–153. doi:10.1111/ijag.12196 which has been published in final form at http://onlinelibrary.wiley.com/doi/10.1111/ijag.12196/abstract This article may be used for non-commercial purposes in accordance With Wiley Terms and Conditions for self-archiving.
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Final published version
Research output: Contribution to Journal/Magazine › Journal article › peer-review
Research output: Contribution to Journal/Magazine › Journal article › peer-review
}
TY - JOUR
T1 - Bioactive sol-gel glasses at the atomic scale
T2 - the complementary use of advanced probe and computer modeling methods
AU - Christie, Jamieson K.
AU - Cormack, Alastair N.
AU - Hanna, John V.
AU - Martin, Richard A.
AU - Newport, Robert J.
AU - Pickup, David M.
AU - Smith, Mark Edmund
N1 - This is the peer reviewed version of the following article: Christie, J. K., Cormack, A. N., Hanna, J. V., Martin, R. A., Newport, R. J., Pickup, D. M. and Smith, M. E. (2016), Bioactive Sol–Gel Glasses at the Atomic Scale: The Complementary Use of Advanced Probe and Computer Modeling Methods. Int J Appl Glass Sci, 7: 147–153. doi:10.1111/ijag.12196 which has been published in final form at http://onlinelibrary.wiley.com/doi/10.1111/ijag.12196/abstract This article may be used for non-commercial purposes in accordance With Wiley Terms and Conditions for self-archiving.
PY - 2016/6
Y1 - 2016/6
N2 - Sol-gel-synthesized 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 stabilization 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, in the memory of whom 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.
AB - Sol-gel-synthesized 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 stabilization 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, in the memory of whom 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.
U2 - 10.1111/ijag.12196
DO - 10.1111/ijag.12196
M3 - Journal article
VL - 7
SP - 147
EP - 153
JO - International Journal of Applied Glass Science
JF - International Journal of Applied Glass Science
SN - 2041-1286
IS - 2
ER -