This computational work models the behavior of Haynes 242 and Hastelloy N in the binary molten salt eutectic mixture KF-ZrF 4 . Limiting the principal alloying elements to four-nickel, chromium, molybdenum, and iron-allows reasonable conclusions to be made about the nature of the hot corrosion resistance of these materials. It suggests that alloy composition optimization work could be conducted to further enhance alloy hot corrosion resistance.The onset of hot corrosion for both alloys is associated with chromium leaching and the formation of CrF 2 in relatively mild oxidizing conditions. However, the onset of hot corrosion for Alloy N requires harsher conditions than for Haynes 242. Thermodynamic data for these systems need to be generated in future research efforts in order to get a clearer picture of the mechanisms of hot corrosion onset. Firstprinciples atomistic simulations can illuminate those cases where experimental thermodynamic data is absent.Another important direction of research is coupling, in real time, the hydrodynamics of molten salt flow inside the reactor with a thermodynamic assessment of corrosion made under the assumption of local equilibrium on a sufficiently fine spatio-temporal grid. This would pave the way to understanding how corrosion develops in real space and time in heat exchanger loop components made of superalloys and steels. A possible application of this new technology would be the analysis of pyrolytic processes, when molten salts are used for catalytic purposes (e.g., biomass reactors, obtaining quality fuel out of heavy fractions of oil refining, etc.).Continuing this computational research effort will allow nuclear engineers to approach the problem of down selecting materials for NGNP AHTRs with greater confidence, less effort spent on expensive experimental work, and in shorter periods of time.