About this Abstract |
Meeting |
2023 TMS Annual Meeting & Exhibition
|
Symposium
|
Materials and Chemistry for Molten Salt Systems
|
Presentation Title |
Atomistic Kinetics Monte Carlo Simulations of Molten Salt Corrosion of Ni-Cr Alloys |
Author(s) |
Lin-Chieh Yu, Anton Schneider, Yongfeng Zhang |
On-Site Speaker (Planned) |
Lin-Chieh Yu |
Abstract Scope |
Molten salt corrosion is a critical material challenge hindering the deployment of molten salt reactors (MSRs). The corrosion process, i.e., selective dissolution of alloying elements such as Cr, involves multiple kinetic processes including diffusion of oxidizing impurities, e.g., water and/or oxygen, electrochemical surface reaction, and surface and bulk diffusion in alloys. Such a complex dependence on various factors leads to scattered experimental data with ambiguous governing mechanisms. Here, we present an atomic kinetic Monte Carlo model for molten salt corrosion considering the above processes. By applying the model to Ni-Cr alloys, the variation in corrosion rate and morphology, including 3D nanoporous structure in purposeful dealloying and surface dissolution in degrading corrosion, is explained by the interplay between diffusion processes and electrochemical reaction and the effect of composition. Such a model is powerful for identifying the rate-limiting step in various conditions and aiding the design of advanced alloys for MSRs. |
Proceedings Inclusion? |
Planned: |
Keywords |
Computational Materials Science & Engineering, Nuclear Materials, Other |