Abstract
Abstract A molecular dynamics study of diffusion in cubic perovskite MgSiO3 at high temperature is presented. We have chosen a pressure of 37 GPa, which is comparable with the values prevailing in the Earth's lower mantle. It is shown that above 3750 K oxygen ions have a high mobility in the absence of any kind of point defects. The calculated diffusion coefficients are comparable to those observed in usual superionic conductors near their melting point. A careful analysis of the diffusion mechanism has revealed that the migration of oxygen ions occurs by a hopping process with very strong correlations between diffusing particles.
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