Loughborough University
Browse
christie-2023-clustering-of-fluoride-and-phosphate-ions-in-bioactive-glass-from-computer-simulation.pdf (745.15 kB)

Clustering of fluoride and phosphate ions in bioactive glass from computer simulation

Download (745.15 kB)
journal contribution
posted on 2023-10-30, 14:20 authored by Jamieson ChristieJamieson Christie
In order to understand the nature of ionic clustering in bioactive glass compositions, computer simulation was used to model four different compositions of bioactive glass with various amounts of flouride and phosphate. Fluoride ions were chemically bonded only to sodium and calcium, creating regions rich in fluoride and modifiers, and fluoride clustering was seen to be present in all compositions. The majority of phosphate groups are present as orthophosphate and phosphate clustering is also seen, and shown to be stronger in compositions with a lower phosphate content. This article is part of the theme issue 'Exploring the length scales, timescales and chemistry of challenging materials (Part 1)'.

History

School

  • Aeronautical, Automotive, Chemical and Materials Engineering

Department

  • Materials

Published in

Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences

Volume

381

Issue

2258

Publisher

Royal Society

Version

  • VoR (Version of Record)

Rights holder

© The Authors

Publisher statement

© 2023 The Authors. Published by the Royal Society under the terms of the Creative Commons Attribution License http://creativecommons.org/licenses/by/4.0/, which permits unrestricted use, provided the original author and source are credited.

Acceptance date

2023-04-30

Publication date

2023-08-28

Copyright date

2023

ISSN

1364-503X

eISSN

1471-2962

Language

  • en

Depositor

Deposit date: 27 October 2023

Article number

20220345

Usage metrics

    Loughborough Publications

    Categories

    No categories selected

    Licence

    Exports

    RefWorks
    BibTeX
    Ref. manager
    Endnote
    DataCite
    NLM
    DC