|About this Abstract
||2017 TMS Annual Meeting & Exhibition
||Hume-Rothery Award Symposium: Alloy Phase Chemistry at the Atomic Level - Opportunities and Challenges
||Interaction of Solutes with Interfaces in Iron
||Matthias Militzer, Hatem Zurob
|On-Site Speaker (Planned)
The interaction of alloying elements in solution with the bcc-fcc interface and grain boundaries can significantly affect microstructure evolution and resulting properties in low alloyed steels. To develop more fundamental microstructure evolution models it is critical to account for the atomistic mechanisms of the solute-interface interaction. Here, first principle density functional theory (DFT) simulations are presented for the binding energy of selected alloying elements X (X= Mn, Ni, Cr, Si, Mo) to bcc-bcc and bcc-fcc interfaces in Fe. The DFT simulation results are compared to 3D atom probe tomography studies of segregation of these elements to the bcc-fcc interface in ternary Fe-C-X alloys. The observed trends of segregation are consistent with those for the binding energies obtained with DFT simulations, i.e. Mo has the highest and Ni the lowest segregation tendency for the investigated solutes. An outlook will be provided for incorporating these atomistic data into overall microstructure evolution models.
||Planned: Supplemental Proceedings volume