| Abstract Scope |
Molten salt corrosion is a critical challenge in the development of advanced energy systems such as molten salt reactors. Over the past several years, our research has focused on integrating multi-scale modeling techniques to understand and predict corrosion behavior in structural alloys exposed to molten salts. Using reactive force field molecular dynamics (ReaxFF MD), we investigate alloy-salt interactions, selective leaching, and the role of local atomic structures such as surface orientation, chemical order, and grain boundary defects. Additionally, complementary first-principles calculations further provide mechanistic insights into how alloying strategies can enhance corrosion resistance. Looking ahead, we discuss the outlook for combining atomistic simulations, machine learning, and mesoscale modeling to enable a predictive, system-level corrosion assessment framework. |