About this Abstract |
| Meeting |
2021 TMS Annual Meeting & Exhibition
|
| Symposium
|
Computational Thermodynamics and Kinetics
|
| Presentation Title |
First Principles Thermodynamics of Fe-Cr-Mn Carbides in High-Mn Steels |
| Author(s) |
Lekshmi Sreekala, Tilmann Hickel, Jörg Neugebauer |
| On-Site Speaker (Planned) |
Lekshmi Sreekala |
| Abstract Scope |
Alloying high-Mn steels with several elements provides attractive candidate materials in high performance engineering applications because of their high strength and toughness. Adding alloying elements such as Cr makes the material corrosion resistant, which is relevant for applications in harsh environments. Recent experiments reported that alloying with Cr substantially increases the number of carbides, like M3C and M23C6 where M being a mixture of Fe, Cr and Mn. In the present work, we therefore use density functional theory to determine the thermodynamic driving force for the formation of carbides as a function of the chemical composition of the alloy. These investigations are performed at finite temperatures considering the vibrational, the electronic and the magnetic contributions to the free energy of formation. We analyse the critical role of Cr by determining the partitioning of Cr and Mn into the carbides. |
| Proceedings Inclusion? |
Planned: |