Partitioning of Si and O between liquid iron and silicate melt: A two-phase ab-initio molecular dynamics study

[1] The magma ocean process in the early history of the Earth has a great influence on the light element identities and contents of the core which subsequently affect the energy of the geodynamo provided by the compositional convection and the inner core growth through their effect on the phase diagram of iron alloy. In the present work, a twophase ab-initio molecular dynamics method is established to study the solubility of silicon and oxygen in liquid iron in equilibrium with silicate melt. The ab-initio results are found to be in close agreement with experimental data. At the base of a deep magma ocean (39 GPa and 3116 K), liquid iron contains 2.7 wt% silicon and 0.5 wt% oxygen at the current bulk Earth composition. The oxygen content is low compared with its current estimate in the core, indicating a deeper magma ocean may need to be invoked. Citation: Zhang, Y., and G. Guo (2009), Partitioning of Si and O between liquid iron and silicate melt: A two-phase ab-initio molecular dynamics study, Geophys. Res. Lett., 36, L18305, doi:10.1029/2009GL039751.