Abstract
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.
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