External magnetic field suppression of carbon diffusion in iron

Fuente: arXiv
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Auteurs principaux: Wirth, Luke J., Trinkle, Dallas R.
Format: Preprint
Publié: 2025
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author Wirth, Luke J.
Trinkle, Dallas R.
author_facet Wirth, Luke J.
Trinkle, Dallas R.
contents External magnetic fields reduce diffusion of carbon in BCC iron, but the physical mechanism is not understood. Using DFT calculations with magnetic moments sampled from a Heisenberg model, we calculate diffusivities of carbon in iron at high temperatures and with field. Our model reproduces the measured suppression of diffusivity from field. We find that increasing magnetic disorder flattens the electron density of states compared with the ferromagnetic case, which distorts the octahedral cages around carbon, lowering the activation barrier to diffusion; an applied field reverses these trends.
format Preprint
id arxiv_https___arxiv_org_abs_2507_16090
institution arXiv
publishDate 2025
record_format arxiv
spellingShingle External magnetic field suppression of carbon diffusion in iron
Wirth, Luke J.
Trinkle, Dallas R.
Materials Science
External magnetic fields reduce diffusion of carbon in BCC iron, but the physical mechanism is not understood. Using DFT calculations with magnetic moments sampled from a Heisenberg model, we calculate diffusivities of carbon in iron at high temperatures and with field. Our model reproduces the measured suppression of diffusivity from field. We find that increasing magnetic disorder flattens the electron density of states compared with the ferromagnetic case, which distorts the octahedral cages around carbon, lowering the activation barrier to diffusion; an applied field reverses these trends.
title External magnetic field suppression of carbon diffusion in iron
topic Materials Science
url https://arxiv.org/abs/2507.16090