Deconvoluting Mechanisms of Radiation-Induced Grain Boundary Segregation in Dilute Ni-X (X = Fe, Cr, Mn) Alloys via Ion Irradiation and Phase-field Modeling
Abstract
Radiation-induced composition redistribution at grain boundaries (GBs) in Ni-based structural alloys poses a critical challenge for the long-term deployment of advanced nuclear reactors. The mechanisms governing solute-specific segregation remain poorly understood because defect-mediated transport, thermodynamic driving forces, and competing microstructural sinks can all contribute under irradiation. We perform systematic Ni2+ ion irradiations on dilute Ni-Fe, Ni-Cr, and Ni-Mn binary alloys at 500, 800, and 1000 K to 2 dpa and characterize GB chemistry using STEM-EDS. The segregation behavior is interpreted using rate-theory phase-field modeling informed by atomistic transport data. We find that Fe depletes at GBs across all temperatures via preferential vacancy-solute exchange (inverse Kirkendall effect). Cr segregation reflects a temperature-dependent competition between self-interstitial atom (SIA)-mediated transport toward GBs and vacancy-mediated transport away from GBs, yielding near-zero net segregation at 500 K and depletion at higher temperatures. In contrast, Mn exhibits distinct behavior dominated by thermodynamic segregation that drives local enrichment at the GB. We leverage depth-dependent characterization along the same GB, spanning irradiated and unirradiated regions, to separate radiation-induced and thermodynamic contributions and validate the unirradiated region as an internal thermodynamic reference. Void formation at 800 K and irradiation-induced GB migration at 800 and 1000 K further add mechanistic complexity by suppressing and redistributing the solute. Our combined experimental and computational assessments show that interpreting GB chemistry evolution under irradiation requires concurrent treatment of non-equilibrium kinetic transport, thermodynamic driving forces, bulk sink effects, and GB migration.
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BibTeX
@misc{shah2026deconvoluting,
title = {{Deconvoluting Mechanisms of Radiation-Induced Grain Boundary Segregation in Dilute Ni-X (X = Fe, Cr, Mn) Alloys via Ion Irradiation and Phase-field Modeling}},
author = {Sohail Shah and Sourabh Bhagwan Kadambi and Anshul Kamboj and Benjamin Diaz and Xinchang Zhang and Jana Howard and Michael Moorehead and Boopathy Kombaiah and Lin Shao and Mukesh Bachhav},
howpublished = {arXiv},
year = {2026},
month = oct,
doi = {10.48550/arxiv.2610.05849},
eprint = {2610.05849},
archivePrefix = {arXiv},
url = {https://arxiv.org/abs/2610.05849},
}
RIS
TY - UNPB
TI - Deconvoluting Mechanisms of Radiation-Induced Grain Boundary Segregation in Dilute Ni-X (X = Fe, Cr, Mn) Alloys via Ion Irradiation and Phase-field Modeling
AU - Sohail Shah
AU - Sourabh Bhagwan Kadambi
AU - Anshul Kamboj
AU - Benjamin Diaz
AU - Xinchang Zhang
AU - Jana Howard
AU - Michael Moorehead
AU - Boopathy Kombaiah
AU - Lin Shao
AU - Mukesh Bachhav
PY - 2026
DA - 2026/10/05
PB - arXiv
DO - 10.48550/arxiv.2610.05849
UR - https://arxiv.org/abs/2610.05849
AB - Radiation-induced composition redistribution at grain boundaries (GBs) in Ni-based structural alloys poses a critical challenge for the long-term deployment of advanced nuclear reactors. The mechanisms governing solute-specific segregation remain poorly understood because defect-mediated transport, thermodynamic driving forces, and competing microstructural sinks can all contribute under irradiation. We perform systematic Ni2+ ion irradiations on dilute Ni-Fe, Ni-Cr, and Ni-Mn binary alloys at 500, 800, and 1000 K to 2 dpa and characterize GB chemistry using STEM-EDS. The segregation behavior is interpreted using rate-theory phase-field modeling informed by atomistic transport data. We find that Fe depletes at GBs across all temperatures via preferential vacancy-solute exchange (inverse Kirkendall effect). Cr segregation reflects a temperature-dependent competition between self-interstitial atom (SIA)-mediated transport toward GBs and vacancy-mediated transport away from GBs, yielding near-zero net segregation at 500 K and depletion at higher temperatures. In contrast, Mn exhibits distinct behavior dominated by thermodynamic segregation that drives local enrichment at the GB. We leverage depth-dependent characterization along the same GB, spanning irradiated and unirradiated regions, to separate radiation-induced and thermodynamic contributions and validate the unirradiated region as an internal thermodynamic reference. Void formation at 800 K and irradiation-induced GB migration at 800 and 1000 K further add mechanistic complexity by suppressing and redistributing the solute. Our combined experimental and computational assessments show that interpreting GB chemistry evolution under irradiation requires concurrent treatment of non-equilibrium kinetic transport, thermodynamic driving forces, bulk sink effects, and GB migration.
ER -