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Meeting 2020 TMS Annual Meeting & Exhibition
Symposium Materials and Chemistry for Molten Salt Systems
Presentation Title First Principles Investigation of Surface Behavior in Ni-Cr Alloy in Molten Salt Systems
Author(s) Jacob Startt, Stephen Raiman, Chaitanya Deo
On-Site Speaker (Planned) Jacob Startt
Abstract Scope The segregation and eventual depletion behavior of Cr atoms in a molten salt contacting Ni-Cr alloy stands as one of the most prominent forms of corrosion observed in molten salt systems. The underlying mechanisms and driving forces behind this phenomenon are difficult to study experimentally and remain not well understood. In this work, first-principles methods are used to model the surface segregation behavior of Cr in an fcc Ni (100) surface. Segregation energies are calculated for a migrating Cr atom in each of the top five surface layers for a clean surface, and then for surfaces with a salt specie or impurity adsorbed above the Cr atom (Cl, F, O, H-Cl, H-F, H-O). An in-depth analysis of role of charge transfer in these processes will be discussed. This talk will present new insights into the complex relationship between the near-surface Cr atoms and salts components in molten salt reactor systems.
Proceedings Inclusion? Planned: Supplemental Proceedings volume

OTHER PAPERS PLANNED FOR THIS SYMPOSIUM

Advanced Characterization of Corrosion Behavior of Metals in Molten Chloride Salts
Application of Molten Salts in Nuclear Energy
Application of Voltammetry for Investigation of Materials Corrosion in LiF-NaF-KF (FLiNaK)
Cathodic Behavior of Moisture in LiCl-KCl Eutectic Melt: Applications to Pyroprocessing
Controlling Alloy Corrosion in Molten Chloride Salts: What Matters and What Doesn’t?
Determining Redox Potentials of Liquid Metal Electrodes for Recovery of Fission Products from Molten Salts
Development of Experimental Vehicle Technology for the Versatile Test Reactor to Investigate the Effects of Fast Neutron Irradiation on Molten Salts
Effect of Europium Fission Product on Chromium Solubility in Molten KCl-MgCl2 Salt
Effect of Salt Additives and Impurities on Flowing Commercial Chloride Salt Compatibility
Effects of Ionizing Radiation on Molten Chloride Salts
Electrochemical Corrosion of Zircaloy-2 in Molten LiCl
Europium Induced Alloy Corrosion and Cracking in Molten Chloride Salt
First Principles Investigation of Surface Behavior in Ni-Cr Alloy in Molten Salt Systems
First Steps Towards Predicting the Corrosion Rates of Structural Materials in Molten Salts
H-11 (Invited): The Chemistry of Graphite in FHRs and MSRs
H-12: Ab-initio Thermodynamics of Molten Salts
H-13: Characterization of LiCl-KCl Eutectic and LiCl-KCl+H2O Mixtures Using Electrochemical Impedance Spectroscopy
H-14: Effect of Mn and Zn Inhibitors on the Corrosion of Incoloy 800H in the MgCl2-KCl Molten Salt
H-15: Electrochemical Impedance Spectroscopic Study of Oxide Scales on 316L Stainless Steel in Molten FLiNaK Salt
H-16: Hot Corrosion Behavior of Ni Based Inconel 939 Superalloy in Molten Salt
H-17: LIBS Investigation of Molten Salt Corrosion
H-18: Maximization of Reduction Cell Efficiency for Spent Uranium Oxide Fuel
H-19: Molten Salt Electrolysis of Alkaline-earth Elements Using Liquid Metal and Alloy Electrodes
H-20: Multimodal Characterization of the Morphological and Chemical Evolution of Ni and Ni-20Cr Microwires in Purified Molten KCl:MgCl2
High-throughput Electrochemical Methods Development to Accelerate Molten Salt Corrosion Resistant Alloy Design
Improving the Corrosion Resistance of Ferritic-martensitic Steels in Molten Nitrate Salt via Diffusion Coatings for Concentrated Solar Power Applications
In-situ Spectro-electrochemistry of Molten Chloride Salts
Investigation of the Mechanism Behind Proton Irradiation Decelerated Corrosion in Molten Fluorides
Kinetic Properties of Fe2+/Fe, Ni2+/Ni, Cr2+/Cr and Cr3+/Cr Reactions in Molten MgCl2-KCl-NaCl Salt
Materials and Chemistry Research for Fluoride Cooled High Temperature Reactors
Mechanistic Understanding of Molten Salt Corrosion Using Electron Paramagnetic Resonance
Molten Chloride Salt Corrosion in Ni based Vs Fe based Alloys
Molten Salt Property Determination and Corrosion Characterization Using Transient Grating Spectroscopy
Multifunctional Voltammetry Sensors for Long-duration Process Monitoring and Control of Molten Salt Equipment
Non-galvanic Mass Transport in Molten Fluoride Salt Isothermal Corrosion Cells
Performance of Corrosion Resistant Claddings on 316H Stainless Steel in Molten Fluoride Salt
Redox Potential Measurement of Ni2+/Ni in MgCl2-KCl-NaCl Molten Salt using Chronopotentiometry Method
Salt Processing for Corrosion Mitigation in Concentrated Solar Power Systems
The Department of Energy Molten Salt Reactor Development Overview
Thermochemical Modeling and Development of the MSTDB Database for Simulating Molten Salt Reactors
Thermophysical-properties Characterization of a Quaternary Novel Salt based on Na+/K+ and NO3-/Cl- System
Understanding the Effects of Operating Conditions on UO2 Electroreduction
X-ray Absorption Studies to Elucidate Structure and Speciation of Metals in Molten Salt Systems

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