Characterization of the channel diffusion in a sodium tetrasilicate glass via molecular-dynamics simulations

Abstract

We study the structural and dynamical characteristics of the sodium atoms inside and outside the ``diffusion channels'' in glassy Na${}_2$O-4SiO${}_2$ (NS4) using classical molecular dynamics. We show that on average neither energetic arguments nor local environment considerations can explain the increased density of sodium atoms inside the subspace made of the channels. Nevertheless we show that at low temperature the mean square displacement of the sodium atoms inside this subspace is significantly larger than the one of the atoms outside the channels.

6 pages, 6 figures

References in corpus (3)

• Channel diffusion of sodium in a silicate glass
• The dynamics of sodium in sodium disilicate: Channel relaxation and sodium diffusion
• Structural and electronic properties of the sodium tetrasilicate glass Na${}_2$Si${}_4$O${}_9$ from classical and ab initio molecular-dynamics simulations

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