Pressure dependence of liquid iron viscosity from machine-learning molecular dynamics

Fuente: arXiv
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Main Authors: Luo, Kai, Long, Xuyang, Cohen, R. E.
Format: Preprint
Published: 2025
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author Luo, Kai
Long, Xuyang
Cohen, R. E.
author_facet Luo, Kai
Long, Xuyang
Cohen, R. E.
contents We have developed a machine-learning potential that accurately models the behavior of iron under the conditions of Earth's core. By performing numerous nanosecond scale equilibrium molecular dynamics simulations, the viscosities of liquid iron for the whole outer core conditions are obtained with much less uncertainty. We find that the Einstein-Stokes relation is not accurate for outer core conditions. The viscosity is on the order of 10s \si{mPa.s}, in agreement with previous first-principles results. We present a viscosity map as a function of pressure and temperature for liquid iron useful for geophysical modeling.
format Preprint
id arxiv_https___arxiv_org_abs_2506_21626
institution arXiv
publishDate 2025
record_format arxiv
spellingShingle Pressure dependence of liquid iron viscosity from machine-learning molecular dynamics
Luo, Kai
Long, Xuyang
Cohen, R. E.
Geophysics
Materials Science
Soft Condensed Matter
We have developed a machine-learning potential that accurately models the behavior of iron under the conditions of Earth's core. By performing numerous nanosecond scale equilibrium molecular dynamics simulations, the viscosities of liquid iron for the whole outer core conditions are obtained with much less uncertainty. We find that the Einstein-Stokes relation is not accurate for outer core conditions. The viscosity is on the order of 10s \si{mPa.s}, in agreement with previous first-principles results. We present a viscosity map as a function of pressure and temperature for liquid iron useful for geophysical modeling.
title Pressure dependence of liquid iron viscosity from machine-learning molecular dynamics
topic Geophysics
Materials Science
Soft Condensed Matter
url https://arxiv.org/abs/2506.21626