Fig. 3
Radial distribution functions of two iron phases. The functions are calculated by ab initio molecular dynamics (AIMD) using density functional theory for description of energies and forces. The radial distribution functions are calculated at pressure of 360 GPa and temperature of 7000 K and 1024 Fe atoms. The body-centered cubic phase (black solid curve) radial distribution function (RDF) is less structured than the RDF of the hexagonal close-packed phase (red dashed curve). The peaks of the cubic phase are lower and the minima are higher than those in the hexagonal phase. That can be interpreted as the proximity of the cubic phase to the liquid structure
