About this Abstract |
| Meeting |
MS&T25: Materials Science & Technology
|
| Symposium
|
Corrosion of Advanced Materials: Theory and Practice
|
| Presentation Title |
Development of a CALPHAD-informed phase-field model for Fe-Ni-Cr corrosion in molten salts using MOOSE |
| Author(s) |
Chaitanya V. Bhave, Parikshit Bajpai, Daniel Schwen, Mauricio Tano Retamales, Markus Piro, Thompson Odion Igunma |
| On-Site Speaker (Planned) |
Chaitanya V. Bhave |
| Abstract Scope |
Molten salt reactors (MSRs) offer inherent safety and efficiency but face materials challenges, particularly the chemical and mechanical stability of structural alloys. Corrosion in molten salts, influenced by salt chemistry, alloy microstructure, and operating conditions, is a significant concern. Phase-field models have been used to predict microstructure evolution during molten salt corrosion. In this work, we develop a phase-field model for Fe-Ni-Cr corrosion in molten fluoride salts, using the Multiphysics Object Oriented Simulation Environment (MOOSE). Gibbs energy minimizer Thermochimica is used to calculate the thermodynamic driving forces using CALPHAD databases, but it requires the enforcement of additional phase fraction constraints for coupling with phase-field models. A surrogate model for the system thermodynamics is coupled with phase-field using the New Engineering Material modeling Library (NEML2). The developed phase-field model will be used to provide microstructure-dependent reduced order models (ROMs) for molten salt corrosion kinetics in MOOSE-based simulations. |