Effect of Strontium Inclusion on the Bioactivity of Phosphate-based Glasses

Overview

Journal J Mater Sci

Date 2020 Feb 15

PMID 32055076

Citations 4

Authors

J K Christie

N H de Leeuw

Affiliations

Soon will be listed here.

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 ∼2.44-2.49 Å, and the coordination number is 7.5-7.8. The Q 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 (Christie et al. in 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.

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