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Meeting 2027 TMS Annual Meeting & Exhibition
Symposium Materials and Chemistry for Molten Salt Systems
Presentation Title Phase-Field Modeling of Cr and Fe Depletion in Ni-Cr-Fe Alloys Exposed to Molten NaCl-KCl
Author(s) Homin Yu, Kunok Chang
On-Site Speaker (Planned) Homin Yu
Abstract Scope Molten chloride salts are promising media for advanced reactor concepts, but their high solubility for corrosion products can accelerate degradation of structural alloys. This study investigates Cr and Fe depletion in Ni-Cr-Fe alloys exposed to molten NaCl-KCl using a grand potential based electrochemical phase-field model. Alloy and salt regions are represented by nonconserved order parameters, while Cr and Fe transport is described through chemical potential based diffusion. One-dimensional simulations quantify baseline depletion profiles, depletion depth, and elemental mass loss at a planar alloy-salt interface. Two-dimensional simulations incorporate grain boundary regions with enhanced diffusivity to examine microstructure-dependent transport. The simulations show spatially nonuniform Cr and Fe depletion near salt-exposed surfaces, with preferential elemental loss along grain boundaries connected to the molten salt. This framework provides a mesoscale approach for linking salt chemistry, alloy thermodynamics, and grain-scale transport during molten chloride corrosion.
Proceedings Inclusion? Planned:
Keywords Computational Materials Science & Engineering, Modeling and Simulation, Nuclear Materials

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