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

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.