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Abstract: The presence of first sharp diffraction peaks in the partial structurefactors is investigated in computer simulations of molten mixtures of alkalihalides. An intermediate range ordering appears for the Li+ ions only, which isassociated with clustering of this species and is not reflected in thearrangement of other ions. This ordering is surprising in view of thesimplicity of the interionic interactions in alkali halides. The clusteringreflects an incomplete mixing of the various species on a local length scale,which can be demonstrated by studying the complementary sub-space of cations inthe corresponding pure alkali halides by means of a void analysis.



Author: M. Salanne, C. Simon, P. Turq, P.A. Madden

Source: https://arxiv.org/







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