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Meeting 2021 TMS Annual Meeting & Exhibition
Symposium Advanced High Strength Steels V
Presentation Title A Spatial Spin Average Approach to Model Austenitic Steels Using First Principle Calculations
Author(s) Edwin Antillon, Michelle Johannes, Noam Bernstein
On-Site Speaker (Planned) Edwin Antillon
Abstract Scope We use first principle calculations to model austenitic stainless steel alloys. Modeling paramagnetic disordered alloys remains a challenge using ab-initio calculations due to the effect that finite-temperature magnetic excitations have on the stability of austenitic steels. A super-cell approach is used to approximate disordered magnetic moments using spatial spin averaging from several static zero temperature calculations. We demonstrate this approach on point defects (Mn,Mo,C) on 316 Steels, and populate a Labusch model that takes into account the role of paramagnetism in solid solution hardening of austenitic steels.
Proceedings Inclusion? Planned:

OTHER PAPERS PLANNED FOR THIS SYMPOSIUM

A Novel Study on Plasticity Mechanisms during Yield Point Elongation in Medium Manganese Steels
A Spatial Spin Average Approach to Model Austenitic Steels Using First Principle Calculations
Carbon Content in Carbide-free Bainite during Isothermal Transformations
Correlation of Rolling Schedules, Mechanical Properties, and SCC Susceptibility of API X70 Steel
Cryogenic Tensile and Microstructural Behaviors of High Manganese Steel Welds
Dislocation Densities during Martensite Transformation in a Low-carbon Steel Determined by In Situ High Energy X-ray Diffraction
Effect of Nb and Mo Addition on Tensile Properties and Bendability of Hot-rolled and Tempered Matensitic Steels
Effect of Phase Stability of Retained Austenite during Deformation in Low-alloy Multiphase Steels
Effect of Rolling Conditions on Microstructure and Mechanical Properties of Medium Mn Steel
Effects of Cold Rolling on Austenite Formation in a QLT-Treated High-Ni Martensitic Steel
Effects of V and Mo Additions on the Suppression of HAZ Softening of Friction Stir Welded Si-Mn Martensitic Steel
Ferrite Recrystallization Investigated by In Situ High Energy X-ray Diffraction Experiments
High-resolution Integrated Experimental-numerical Testing of Ferrite-pearlite Steels
High Strength Transformation Induced Plasticity-maraging Stainless Steel
In Situ Investigation of Stacking Fault Energy Dependent Deformation Response of a Medium-Mn Steel
Low-density Steels: Processing Pathways and Alloying Strategies in Medium Mn, Al-added Steels
Methods for Improving the Hydrogen Embrittlement Resistance in Press-hardened Steel
Microstructural and Plastic Deformation Study of a Multi-phase Advanced High Strength Steel
Microstructural Characterization of Fracture in Fe-10 pct Ni Gas Metal Arc Welds
Microstructural Refinement and Homogenization of High Strength Austenitic Steels for Lightweighting Using Equal Channel Angular Pressing
Microstructure-based Predictions of the Effect of Inclusions on the Bendability of Advanced High Strength Dual-phase Steels
Nanoscale Investigation of Austenite/Ferrite Interfaces in Medium Carbon Fe-Mn-C Steels at Different Inter-critical Temperatures
Phase Evolution of Triple Nano-precipitate Strengthened Mn-stabilized Austenitic Steel
Properties and Performance of Fe-Mn-Al-C Alloys as a Function of Composition
Revisit the Slow Strain Rate Test for Hydrogen Embrittlement of Press-hardened Steel
Role of Metal Carbides in the Formation of Austenite in a High-Ni Martensitic Steel
Stacking Fault Energy Dependent Deformation Mechanisms in Medium-Mn Steels
Static Recrystallization during Hot Deformation of HSLA Nb-Bearing Steels
Strain Path Effect on Martensitic Transformation in Medium Mn Steels
Strain Rate Sensitive Martensite Transformation in a Q&P Steel
Twinning-induced Plasticity of Austenitic Lightweight High-entropy Steel
Use of Physical Simulations for Accelerated Welding Procedure Development in Supermartensitic Stainless Steels
Use of Thermo-mechanical Simulation to Assess Liquid Metal Embrittlement (LME) in Zinc Coated Advanced High Strength Steels

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