Phase diagram of FeO2H2He under high pressure (IMAGE)
Caption
The phase boundary is marked by the thick black line and different structures within each phase are determined based on the molecular dynamics results, where triangles, stars, and circles represent, respectively, the solid, superionic (with diffusive H atoms), and liquid structures. Also presented are the phase coexistence probabilities, as indicated by the colored scale bar shown in the inset, in the context of the Boltzmann distribution for the FeO2H2He structures relative to the dehydrogenation products FeO2H, H2 and He at selected points along the geotherm in the pressure range of 100-140 GPa. The yellow region presents the geotherm of the Earth's core.
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