Phase-field modeling of radiation-induced composition redistribution: An application to additively manufactured austenitic Fe–Cr–Ni

Kadambi, Sourabh Bhagwan; Schwen, Daniel; Ke, Jia-Hong; He, Lingfeng; Jokisaari, Andrea M.

doi:10.1016/j.commatsci.2025.113895

Phase-field modeling of radiation-induced composition redistribution: An application to additively manufactured austenitic Fe–Cr–Ni

Journal Article · Thu Apr 24 00:00:00 EDT 2025 · Computational Materials Science

DOI:https://doi.org/10.1016/j.commatsci.2025.113895· OSTI ID:2583269

^[1]; ^[1]; ^[1]; He, Lingfeng ^[2]; ^[1]

Idaho National Laboratory (INL), Idaho Falls, ID (United States)
Idaho National Laboratory (INL), Idaho Falls, ID (United States); North Carolina State University, Raleigh, NC (United States)

Multicomponent alloys undergoing irradiation damage develop radiation-induced composition redistribution at point defect sinks such as grain boundaries (GBs) and dislocations. Such redistribution results in undesired changes to their mechanical behavior and corrosion resistance. Additively manufactured alloys proposed for future nuclear applications are expected to demonstrate a distinct response to irradiation owing to their unique microstructure with as-solidified dislocation density and chemical microsegregation. To capture the composition redistribution in such systems, we develop a mesoscale model with coupled evolution of atomic and point defect components in the presence of dislocation density, dislocation heterogeneity, and thermodynamic interactions at the GB. The model is parameterized for an FCC Fe–Cr–Ni alloy as a representative system for austenitic stainless steels, and simulations are performed in 1D and 2D as a function of irradiation temperature, dose, dislocation density, and grain size. Radiation-induced segregation (RIS) characterized by Cr depletion and Ni enrichment is predicted at both the GB and the dislocation cell wall, with RIS being lower in magnitude but wider at the cell wall. Strongly biased absorption of self-interstitials by dislocations is found to suppress Ni enrichment but slightly enhance Cr depletion under certain conditions. Thermodynamic segregation at the GB is predicted to be narrower and opposite in sign to RIS for both Cr and Ni. Importantly, non-monotonic segregation is found to occur when both thermodynamic and RIS mechanisms are considered, providing a novel physical interpretation of experimental observations. The model is expected to serve as a key tool in accelerated qualification of irradiated materials.

View Accepted Manuscript (DOE)

Research Organization:: Idaho National Laboratory (INL), Idaho Falls, ID (United States)

Sponsoring Organization:: USDOE Laboratory Directed Research and Development (LDRD) Program; USDOE Office of Nuclear Energy (NE)

Grant/Contract Number:: AC07-05ID14517

OSTI ID:: 2583269

Report Number(s):: INL/JOU--25-82693-Rev001

Journal Information:: Computational Materials Science, Journal Name: Computational Materials Science Vol. 255; ISSN 0927-0256

Publisher:: ElsevierCopyright Statement

Country of Publication:: United States

Language:: English

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Related Subjects

additively manufactured microstructure
austenitic stainless steel
dislocation cell wall
grain boundary
phase field modeling
radiation-induced segregation
thermodynamic segregation

Phase-field modeling of radiation-induced composition redistribution: An application to additively manufactured austenitic Fe–Cr–Ni

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