Chemical diffusion is a fundamental process in the evolution of planets. Equilibration within and among phases in response to changes in physical conditions requires the comprising chemical species to be spatially rearranged, over distances comparable to the grain size. Quantitative description of such processes demands diffusivities of these chemical species to be accurately known, while detailed insight into the mechanisms of diffusion at the atomic scale elucidate their dependence on pressure, temperature and composition.

By applying our understanding of chemical bonding in condensed systems to numerically simulate diffusivity over a range of pressures and temperatures of planetary interest, we can...

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