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Issue 14, 2002
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Alkali ion migration mechanisms in silicate glasses probed by molecular dynamics simulations

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Abstract

The application of the molecular dynamics computer simulation technique to the problem of elucidating alkali ion migration mechanisms in alkali silicate glasses is reviewed. Some new results are presented that help to clarify the processes and their timing. In particular, it is shown that alkali ions jump into empty sites; that is, the mechanisms owe more in character to their crystalline vacancy counterpart rather than their interstitial cousins.

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Publication details

The article was received on 15 Feb 2002, accepted on 09 May 2002 and first published on 13 Jun 2002


Article type: Paper
DOI: 10.1039/B201721K
Phys. Chem. Chem. Phys., 2002,4, 3193-3197

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    Alkali ion migration mechanisms in silicate glasses probed by molecular dynamics simulations

    A. N. Cormack, J. Du and T. R. Zeitler, Phys. Chem. Chem. Phys., 2002, 4, 3193
    DOI: 10.1039/B201721K

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