Viscosity of Iron-Sulfur Alloy under the Conditions of the Earth Inner Core Calculated Based on the Neural Network Potential

XU Yunfan; HE Yu; ZHANG Wei; LI Heping

doi:10.11858/gywlxb.20251221

Volume 40 Issue 1

Jan 2026

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Chinese Journal of High Pressure Physics > 2026 > 40(1): 010105.

XU Yunfan, HE Yu, ZHANG Wei, LI Heping. Viscosity of Iron-Sulfur Alloy under the Conditions of the Earth Inner Core Calculated Based on the Neural Network Potential[J]. Chinese Journal of High Pressure Physics, 2026, 40(1): 010105. doi: 10.11858/gywlxb.20251221

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XU Yunfan, HE Yu, ZHANG Wei, LI Heping. Viscosity of Iron-Sulfur Alloy under the Conditions of the Earth Inner Core Calculated Based on the Neural Network Potential[J]. Chinese Journal of High Pressure Physics, 2026, 40(1): 010105. doi: 10.11858/gywlxb.20251221

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Viscosity of Iron-Sulfur Alloy under the Conditions of the Earth Inner Core Calculated Based on the Neural Network Potential

doi: 10.11858/gywlxb.20251221

XU Yunfan^{1, 2, 3
,},
HE Yu^{1, 2, 3,*
,
,},
ZHANG Wei⁴,
LI Heping^{1, 2}

1.
State Key Laboratory of Critical Mineral Research and Exploration, Institute of Geochemistry, Chinese Academy of Sciences, Guiyang 550081, Guizhou, China
2.
Key Laboratory of High-Temperature and High-Pressure Study of the Earth’s Interior, Institute of Geochemistry, Chinese Academy of Sciences, Guiyang 550081, Guizhou, China
3.
University of Chinese Academy of Sciences, Beijing 100049, China
4.
School of Karst Science, Guizhou Normal University, Guiyang 550025, Guizhou, China

Received Date: 09 Oct 2025
Rev Recd Date: 11 Dec 2025
Accepted Date: 12 Dec 2025

Available Online: 26 Nov 2025

Issue Publish Date: 05 Jan 2026

Abstract

Abstract

The density of the Earth’s inner core is lower than that of pure iron, indicating the presence of light elements. Among the candidate elements, carbon, hydrogen, oxygen, sulfur, and silicon are considered the most likely. Viscosity is a key physical property controlling the dynamics and evolutionary history of the inner core, and it has significant implications for the origin of seismic anisotropy. Previous studies have investigated the viscosity of pure iron in its hexagonal close-packed (HCP) and body-centered cubic (BCC) phases under inner-core conditions through computational simulations. However, the influence of light elements on the viscosity of the inner core remains insufficiently constrained. In this study, we constructed a neural network potential (NNP) for Fe-S alloy under inner-core conditions and employed it to perform large-scale molecular dynamics simulations. We systematically examined the impact of vacancy concentrations as low as 0.01% on the ionic transport properties of Fe-S alloy. Based on the self-diffusion coefficients of Fe in the lattice, we further explored the creep mechanisms and viscosity of Fe-S alloy under core conditions. Our results indicate that dislocation creep dominates the rheological behavior, yielding viscosities of 1×10¹⁴–2×10¹⁶ Pa·s, consistent with constraints from free-core nutation and seismic observations.
- neural network potential,
- Earth’s inner core,
- self-diffusion coefficient,
- viscosity,
- molecular dynamics

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References(91)

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Viscosity of Iron-Sulfur Alloy under the Conditions of the Earth Inner Core Calculated Based on the Neural Network Potential

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Viscosity of Iron-Sulfur Alloy under the Conditions of the Earth Inner Core Calculated Based on the Neural Network Potential

doi: 10.11858/gywlxb.20251221

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通讯作者: 陈斌, bchen63@163.com

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