Model for the Thermodynamics of Iron at High Pressures Near Melting (2506.03386v1)

Abstract: The Fe pressure-temperature phase diagram and its melting line have a wide range of applications, including providing constraints for iron-core planetary models. We propose an equation of state (EOS) model based on the interstitial theory of simple condensed matter (ITCM), as suggested by A.V. Granato. When applied to Fe, this model enables the extrapolation of measured melting lines to the conditions of the Earth's inner core boundary (ICB). The ITCM describes the solid-liquid phase transition in metals as resulting from a strong structural perturbation due to a high concentration of interstitial-like defects. The strong nonlinearity of their self-interaction causes the stabilization of this interstitial-rich phase. The original model is expanded to describe melting over a wide range of pressures and temperatures rather than focusing on a specific isobaric transition. Using this model, we fit the measured melting data, extrapolate it to cover ICB conditions, and develop a multiphase equation of state that encompasses this regime. The model is used to explain contradictory data regarding the location of the melting line, resulting from a novel phase transition between two separate liquid phases, specifically between FCC-based and HCP-based liquids. This additional liquid phase offers a new interpretation of the previously suggested near-melting high-pressure phase and may also provide a solution to the inner core nucleation paradox.