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Meeting 2023 TMS Annual Meeting & Exhibition
Symposium Materials Processing Fundamentals
Presentation Title Carbon Diffusion in Bcc Fe Under Magnetic Fields From First Principles
Author(s) Luke Wirth, Ming Li, Richard Hennig, Dallas Trinkle
On-Site Speaker (Planned) Luke Wirth
Abstract Scope Heat treatment of steels in the presence of external magnetic fields, such as during induction-coupled thermomagnetic processing (ITMP), offers the potential for greater control over transformation kinetics than traditional techniques allow. Understanding the atomic-scale mechanisms that determine this behavior will better enable engineering applications to make use of this control, thereby yielding increases in energy efficiency. Within a density-functional theory (DFT) framework, we apply a Zeeman splitting energy to impose an external magnetic field on Fe-C supercells. Calculations of activation energy barriers to interstitial carbon transitions within these environments inform diffusivity models at various splitting energies. Field-dependent changes in the vicinity of the C atom, such as redistribution of the magnetic moments of neighboring Fe atoms, provide insight into how external magnetic fields affect diffusion.
Proceedings Inclusion? Planned:
Keywords Computational Materials Science & Engineering, Magnetic Materials, Modeling and Simulation

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Activation Energy of Simulated Surface Diffusion in Nanoporous Gold.
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Carbon Diffusion in Bcc Fe Under Magnetic Fields From First Principles
Comparative Statistical Analysis of Gold Processing Plant Recovery Data
Comprehensive Recovery of Elemental Sulfur and Sulfide Minerals from Pressure Acid Leaching Residue of Zinc Sulfide Concentrate with an Integrated Flocculation Flotation-hot Filtration Process
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Investigation of the Keyhole and Molten Pool Stability in Laser Welding Process Depending on Intensity Distribution of Dual Beam
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