Coupling of ion and network dynamics in lithium silicate glasses: a computer study

Abstract

We present a detailed analysis of the ion hopping dynamics and the related nearby oxygen dynamics in a lithium meta silicate glass via molecular dynamics simulation. For this purpose we have developed numerical techniques to identify ion hops and to sample and average dynamic information of the particles involved. This leads to an instructive insight into the microscopic interplay of ions and network. It turns out that the cooperative dynamics of lithium and oxygen can be characterized as a sliding door mechanism. It is rationalized why the local network fluctuations are of utmost importance for the lithium dynamics.

24 pages, 10 figures

References in corpus (3)

• The dynamics of sodium in sodium disilicate: Channel relaxation and sodium diffusion
• Complete identification of alkali sites in ion conducting lithium silicate glasses: a computer study of ion dynamics
• Characterization of the complex ion dynamics in lithium silicate glasses via computer simulations

Cited by in corpus (4)

• Fundamental questions relating to ion conduction in disordered solids
• Contributions to the mixed-alkali effect in molecular dynamics simulations of alkali silicate glasses
• Comparison of ion sites and diffusion paths in glasses obtained by molecular dynamics simulations and bond valence analysis
• The cationic energy landscape in alkali silicate glasses: properties and relevance