Efficient Analytical Approach for High-Pressure Melting Properties of Iron

Iron represents the principal constituent of the Earth's core, but its high-pressure melting diagram remains ambiguous. Here we present a simple analytical approach to predict the melting properties of iron under deep-Earth conditions. In our model, anharmonic free energies of the solid phase a...

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Bibliographic Details
Published inarXiv.org
Main Authors Tran, Dinh Cuong, Phan, Anh D
Format Paper
LanguageEnglish
Published Ithaca Cornell University Library, arXiv.org 18.12.2020
Subjects
Anharmonicity
Earth
Earth core
Enthalpy
Iron constituents
Melt temperature
Melting
Quantum statistics
Solid phases
Statistical mechanics
Thermal expansion
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Summary:Iron represents the principal constituent of the Earth's core, but its high-pressure melting diagram remains ambiguous. Here we present a simple analytical approach to predict the melting properties of iron under deep-Earth conditions. In our model, anharmonic free energies of the solid phase are directly determined by the moment expansion technique in quantum statistical mechanics. This basis associated with the Lindemann criterion for a vibrational instability can deduce the melting temperature. Moreover, we correlate the thermal expansion process with the shear response to explain a discontinuity of atomic volume, enthalpy, and entropy upon melting. Our numerical calculations are quantitatively consistent with recent experiments and simulations. The obtained results would improve understanding of the Earth's structure, dynamics, and evolution.
ISSN:2331-8422