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Probing iron in Earth's core with molecular-spin dynamics. | LitMetric

Probing iron in Earth's core with molecular-spin dynamics.

Proc Natl Acad Sci U S A

Computational Multiscale Department, Sandia National Laboratories, Albuquerque, NM 87123.

Published: December 2024

AI Article Synopsis

Article Abstract

Dynamic compression of iron to Earth-core conditions is one of the few ways to gather important elastic and transport properties needed to uncover key mechanisms surrounding the geodynamo effect. Herein, a machine-learned ab initio derived molecular-spin dynamics (MSD) methodology with explicit treatment for longitudinal spin-fluctuations is utilized to probe the dynamic phase-diagram of iron. This framework uniquely enables an accurate resolution of the phase-transition kinetics and Earth-core elastic properties, as highlighted by compressional wave velocity and adiabatic bulk moduli measurements. In addition, a unique coupling of MSD with time-dependent density functional theory enables gauging electronic transport properties, critically important for resolving geodynamo dynamics.

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Source
http://dx.doi.org/10.1073/pnas.2408897121DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC11665881PMC

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