Sodium ion migration mechanisms in silicate glasses probed by molecular dynamics simulations
2003; Elsevier BV; Volume: 323; Issue: 1-3 Linguagem: Inglês
10.1016/s0022-3093(03)00280-1
ISSN1873-4812
AutoresAlastair N. Cormack, Jincheng Du, Todd Zeitler,
Tópico(s)Luminescence Properties of Advanced Materials
ResumoMolecular dynamics simulations have been carried out on a silica glass containing 1 mol% soda. The Na distribution is not the same as that found in more highly concentrated sodium containing glasses. Long-range diffusive motion appears to be correlated with the absence of a neighboring non-bridging oxygen. Those Na ions remaining localized often show backward–forward hops that are not readily seen in glasses with larger sodium content.
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