|About this Abstract
||2021 TMS Annual Meeting & Exhibition
||Advanced High Strength Steels V
||A Spatial Spin Average Approach to Model Austenitic Steels Using First Principle Calculations
||Edwin Antillon, Michelle Johannes, Noam Bernstein
|On-Site Speaker (Planned)
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.