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Determination of Ionic Diffusion Mechanisms in Solids

Published online by Cambridge University Press:  10 February 2011

John Corish
John Corish*
Affiliation:
Department of Chemistry, Trinity College, University of Dublin, Dublin 2, IRELAND
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Abstract

The experimental and atomistic simulation methodologies by which microscopic diffusion mechanisms can be determined in solids are described. Measurement of the Haven Ratio requires evaluation of the diffusion coefficient and of the ionic conductivity for the species in pure and doped specimens and is, in practice, limited to simpler materials. Atomistic simulations using lattice statics, molecular dynamics and Monte Carlo techniques can yield very detailed information on the pathways followed by migrating ions and are being utilised more extensively for this purpose. Examples of such experimental and simulation studies are discussed.

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References

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