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 thermal electronic excitations.
Wu et al., Melting temperature of iron under the Earth’s inner core condition from deep machine learning
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Assessing foundational atomistic models for iron alloys under Earth's core conditions
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 thermal electronic excitations.