SFE Assessment of Fe–Mn Binary System Using the 3rd Generation Calphad Database: Phase Diagram Re-assessment and Physical Insights

Abstract

The utilization of integrated computational materials engineering (ICME) using third generation calculation of phase diagrams (Calphad) databases holds promise for predicting thermodynamics of materials, leading to time and cost-efficient approaches. This study delves into the complexities of stacking fault energy (SFE) in Fe-Mn binary system using the concept of a 3rd generation Calphad database which is suitable for thermodynamic calculations at low temperatures. Releases of 3rd generation Calphad descriptions for unary Fe and Mn in recent years, motivated the authors to address the SFE using a re-assessment of thermodynamic description for the Fe-Mn binary system. The obtained SFE values are calculated thermodynamically and discussed in relation to the material's behavior and properties. SFE values are computed through a revised thermodynamic method of Olson-Cohen, and the relationship between this quantity and properties of material is discussed. This research not only serves to augment our understanding of SFE and related physical phenomena but also identifies regions where thermodynamic databases can be refined. The effectiveness of ICME and Calphad methodologies is demonstrated, contributing to the advancement of materials design and, consequently, the enhancement of performance and reliability in low-temperature applications.