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Meeting 2022 TMS Annual Meeting & Exhibition
Symposium Materials Processing Fundamentals
Presentation Title Study of γ'-Fe4N Material Annealing through Molecular Dynamics Modeling
Author(s) Jianxin Zhu, Guannan Guo, Jian-Ping Wang
On-Site Speaker (Planned) Jianxin Zhu
Abstract Scope γ’-Fe4N thin film is considered as a potential precursor to synthesize α″-Fe16N2, which is a promising high saturation magnetization permanent magnetic material that could be attained from the decomposition of the high nitrogen content iron nitride at appropriate temperature. High temperature thermal annealing process of γ’-Fe4N material is studied using Molecular Dynamics (MD) modeling method. With Modified-Embedded-Atom-Method (MEAM) interatomic potential of Fe-N and bond forming/breaking MD simulation, the number of Nitrogen bonds formed is found to be insignificant. Results suggests the formation of N2 bonds requires high temperature and existing of lattice imperfections, i.e. where neighboring N atoms can be much closer than 2nd nearest-neighbor (2NN) distance.
Proceedings Inclusion? Planned:
Keywords Magnetic Materials, Thin Films and Interfaces,

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Anomalous Temperature Effect on Diffusion-controlled Solidification Time during Diffusion Brazing
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Effect of Laser Heat Treatment and Nitrogen Content in Shielding Gas on Precipitation of Widmanstätten Austenite in Lap Laser Welds of Duplex Stainless Steels
Evaluation of Phase Relations for the Al-Cu-Mg-Si-Zn System around Eutectic Composition
Experimental Phase Diagram Study in CaO-MgO-V2O5 System
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Finite Element Analysis Modeling of Gravity-driven Multiple Effect Thermal System (G-METS) Distillation for Efficient Low-cost Magnesium Refining
Measurement of Thermodynamic Property of Mg in Molten Iron at 1823 K by Transpiration Method
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Parametric Study of Mold Electromagnetic Stirring: Effects of Load Condition and Copper Resistivity
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Potentiostatic Electrodeposition of Ti-Al Alloy with 40% Titanium from the Lewis Acidic 1-butyl-3-methylimidazolium Chloride-aluminum Chloride Ionic Liquid Electrolyte
Prediction of Distribution of Composition of Inclusion in Continuous Casting Bloom of the Heavy Rail Steel Coupling Element Segregation, Heat Transfer and Kinetics
Pulsed Electric Current Joining of Oxide-dispersion-strengthened Austenitic Steels
Site Preference of Ti in 6H-SiC: A Combined Photoluminescence and Theoretical Calculation Study
Study of γ'-Fe4N Material Annealing through Molecular Dynamics Modeling
Study on the Interface Structure and Element Distribution of Manganese-containing Slag
Thermodynamic Properties of Sulfur in the CaO–AlO1.5–CeO1.5 Slag System at 1873 K
Thermoelectric Magnetohydrodynamic Control of Melt Pool Dynamics and Microstructure Evolution in Direct Energy Deposition Additive Manufacturing
Time Variation of Concentration-dependent Interdiffusion Coefficient
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