Melting of iron at the Earth's core conditions by molecular dynamics simulation

Abstract

By large scale molecular dynamics simulations of solid-liquid coexistence, we have investigated the melting of iron under pressures from 0 to 364 GPa. The temperatures of liquid and solid regions, and the pressure of the system are calculated to estimate the melting point of iron. We obtain the melting temperature of iron is about 6700±200K under the inner-outer core boundary, which is in good agreement with the result of Alfè et al. By the pair analysis technique, the microstructure of liquid iron under higher pressures is obviously different from that of lower pressures and ambient condition, indicating that the pressure-induced liquid-liquid phase transition may take place in iron melts.