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

Wan, Tianqi et al.
arXiv (All) · Papers
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geophysicsmaterials-science
We assess the capability of recently developed foundational atomistic models (FAMs) to simulate iron alloys under the extreme pressures and temperatures of Earth's core. Static equations of state for hexagonal close-packed (hcp) and body-centered cubic (bcc) iron, computed using 17 FAMs, are benchma
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