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arxiv: 2602.03509 · v3 · pith:O4XK5G66new · submitted 2026-02-03 · ⚛️ physics.geo-ph · cond-mat.mtrl-sci

Radial gradient of superionic hydrogen in Earth's inner core

classification ⚛️ physics.geo-ph cond-mat.mtrl-sci
keywords coreinnerearthhydrogensuperionicphasedistributiongradient
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Hydrogen is considered a key light element in Earth's core, yet the thermodynamics of its superionic phase and its distribution in the inner core remain unclear. Here, we compute ab initio Gibbs free energies for liquid and superionic hcp and bcc Fe-H phases and construct the superionic-liquid phase diagram over pressure-temperature conditions relevant to the Earth's inner core. We find that phase diagrams at different inner-core pressures collapse when temperatures are scaled by the melting temperature of pure iron, indicating that solid-liquid partitioning is controlled primarily by a reduced temperature relative to iron melting and is weakly sensitive to pressure. This scaling relation further reconciles previously reported discrepancies in partition coefficients among theoretical studies and yields good agreement with available experimental data at low pressures. By applying thermochemical constraints, our free-energy results reveal a radial hydrogen gradient within the inner core. These results demonstrate that compositional gradients of superionic hydrogen in the inner core emerge naturally from equilibrium thermodynamics and suggest a general mechanism governing the depth-dependent distribution of light elements within Earth's inner core.

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  1. Assessing foundational atomistic models for iron alloys under Earth's core conditions

    physics.geo-ph 2026-05 unverdicted novelty 4.0

    Foundational atomistic models reproduce some structural and dynamical properties of iron alloys under core conditions but none consistently match first-principles benchmarks due to missing explicit treatment of therma...