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Grain-boundary enrichment of iron on magnesium silicate perovskite

¹ Department of Earth Sciences, University College London, Gower Street, London WC1E 6BT, UK
² Universität des Saarlandes, Saarbrücken, Germany
³ Formerly at: Bayerisches Geoinstitut, Universität Bayreuth, 95440 Bayreuth, Germany

^* Corresponding author, e-mail: d.dobson{at}ucl.ac.uk

We present a combined experimental and numerical simulations study of grain boundaries in (Fe, Mg)SiO₃ perovskite. TEM observations of grain boundaries in a well equilibrated perovskite sample consistently show small but significant enrichments of Fe. This result is in good agreement with classical potentials simulations of grain boundary structures in MgSiO₃ perovskite which predict substitution of iron onto grain boundaries to be energetically favourable over iron substitution in the bulk perovskite structure.

Key-words: grain boundary structure, grain-boundary enrichment, (Mg,Fe)SiO₃ perovskite, high-pressure studies, TEM studies.