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Title: Effect of strontium inclusion on the bioactivity of phosphate-based glasses
Authors: Christie, Jamieson K.
de Leeuw, Nora H.
Issue Date: 2017
Publisher: Springer
Citation: CHRISTIE, J.K. and DE LEEUW, N.H., 2017. Effect of strontium inclusion on the bioactivity of phosphate-based glasses. Journal of Materials Science, 52 (15), pp. 9014-9022.
Abstract: We have conducted first-principles and classical molecular dynamics simulations of various compositions of strontium-containing phosphate glasses, to understand how strontium incorporation will change the glasses’ activity when implanted into the body (bioactivity). To perform the classical simulations, we have developed a new interatomic potential, which takes account of the polarizability of the oxygen ions. The Sr-O bond length is ∼ 2.44 − 2.49Å, and the coordination number is 7.5 – 7.8. The Qn distribution and network connectivity were roughly constant for these compositions. Sr bonds to a similar number of phosphate chains as Ca does; based on our previous work [J. K. Christie et al., J. Phys. Chem. B 117, 10652 (2013)], this implies that SrO ↔ CaO substitution will barely change the dissolution rate of these glasses, and that the bioactivity will remain essentially constant. Strontium could therefore be incorporated into phosphate glass for biomedical applications.
Description: This is an open access article published by Springer and distributed under the terms of the Creative Commons Attribution Licence, http://creativecommons.org/licenses/ by/4.0/
Sponsor: We thank the UK’s EPSRC for funding (grant EP/J008095/1). Via our membership of the UK’s HPC Materials Chemistry Consortium, which is funded by EPSRC (EP/L000202), this work made use of the facilities of HECToR and ARCHER, the UK’s national high-performance computing service.
Version: Published
DOI: 10.1007/s10853-017-1155-x
URI: https://dspace.lboro.ac.uk/2134/24923
Publisher Link: http://dx.doi.org/10.1007/s10853-017-1155-x
ISSN: 1573-4803
Appears in Collections:Published Articles (Materials)

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