About this Abstract |
Meeting |
2020 TMS Annual Meeting & Exhibition
|
Symposium
|
Materials and Chemistry for Molten Salt Systems
|
Presentation Title |
First Principles Investigation of Surface Behavior in Ni-Cr Alloy in Molten Salt Systems |
Author(s) |
Jacob Startt, Stephen Raiman, Chaitanya Deo |
On-Site Speaker (Planned) |
Jacob Startt |
Abstract Scope |
The segregation and eventual depletion behavior of Cr atoms in a molten salt contacting Ni-Cr alloy stands as one of the most prominent forms of corrosion observed in molten salt systems. The underlying mechanisms and driving forces behind this phenomenon are difficult to study experimentally and remain not well understood. In this work, first-principles methods are used to model the surface segregation behavior of Cr in an fcc Ni (100) surface. Segregation energies are calculated for a migrating Cr atom in each of the top five surface layers for a clean surface, and then for surfaces with a salt specie or impurity adsorbed above the Cr atom (Cl, F, O, H-Cl, H-F, H-O). An in-depth analysis of role of charge transfer in these processes will be discussed. This talk will present new insights into the complex relationship between the near-surface Cr atoms and salts components in molten salt reactor systems. |
Proceedings Inclusion? |
Planned: Supplemental Proceedings volume |