About this Abstract |
| Meeting |
2026 TMS Annual Meeting & Exhibition
|
| Symposium
|
Materials and Chemistry for Molten Salt Systems
|
| Presentation Title |
Computational Insights Into the Corrosion Behavior High-Entropy Alloys in Molten Fluoride Salts |
| Author(s) |
Conrard Giresse Tetsassi Feugmo |
| On-Site Speaker (Planned) |
Conrard Giresse Tetsassi Feugmo |
| Abstract Scope |
Molten salt reactors (MSRs) expose structural materials to harsh conditions, such as elevated temperatures, corrosive fluoride salts, and substantial neutron irradiation. These factors contribute to intricate degradation processes, including radiation-induced defect development, void swelling, and corrosion. Refractory high-entropy alloys with a body-centered cubic structure provide noteworthy thermal stability and mechanical strength, making them excellent candidates for MSR application. This study explores the corrosion properties of NbTaMoW and NbTaMoWV in FLiBe molten salt via density functional theory and ab initio molecular dynamics simulations. Analyses of electronic structure, including density of states and crystal orbital Hamilton population, shed light on interfacial bonding and charge distribution. NbTaMoW shows minimal d-band shifts and weak fluorine interaction, indicating enhanced oxidation resistance. Adding vanadium to form NbTaMoWV further diminishes oxidative vulnerability and stabilizes the electronic structure at the salt interface,
suggesting superior corrosion resistance in molten salt conditions. |
| Proceedings Inclusion? |
Planned: |
| Keywords |
High-Entropy Alloys, Modeling and Simulation, Nuclear Materials |