Extended Data Fig. 4: Molecular dynamics simulations of water partitioning.
From: The interior as the dominant water reservoir in super-Earths and sub-Neptunes
Two-phase coexistence simulations of water (\({X}_{{{\rm{H}}}_{2}{\rm{O}}}=1.54\) wt%) partitioning between iron (Fe) and silicate (MgSiO3) melts at 500 GPa/9000 K and 1000 GPa/14000 K. a, The initial configurations and the snapshots at 5000 femtoseconds (fs) are shown. b, The corresponding instantaneous coarse-grained density profile (filled circles) along the z-axis of the simulation box at 5000 fs and the best fitting curve (solid line). The dashed vertical lines represent the locations of Gibbs dividing surfaces.
