Abstract

The presence of first sharp diffraction peaks in the partial structure factors is investigated in computersimulations of molten mixtures of alkali halides. An intermediate range ordering appears for theLi+ ions only, which is associated with clustering of this species and is not reflected in thearrangement of other ions. This ordering is surprising in view of the simplicity of theinterionic interactions in alkali halides. The clustering reflects an incomplete mixing of thevarious species on a local length scale, which can be demonstrated by studying thecomplementary sub-space of cations in the corresponding pure alkali halides by means of avoid analysis.

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