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., Ab Initio Superionic-Liquid Phase Diagram of Fe_1-xO_x under Earth's Inner Core Conditions
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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.