Phase-field modeling of radiation-induced segregation for multicomponent alloys

Conference · Tue Oct 11 04:00:00 EDT 2022

OSTI ID:2405092

Kadambi, Sourabh Bhagwan ^[1]; Schwen, Daniel ^[1]; He, Lingfeng ^[2]; Zhang, Yongfeng ^[3]

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1. Idaho National Laboratory
2. North Carolina State University
3. University of Wisconsin-Madison

Structural alloys under irradiation are known to undergo radiation-induced solute redistribution (RIS) at grain boundaries, leading to detrimental effects such as intergranular corrosion and stress-assisted cracking. To better understand the phenomenon, improved models of RIS applicable to concentrated, multicomponent alloys, and mesoscale microstructures are needed. In this talk, we present a novel grand-potential-based phase-field model to account for the complete set of multicomponent kinetic and thermodynamic couplings between atoms and point defects in the Onsager transport equations. We demonstrate multiscale modeling capability by deriving the Onsager coefficient matrix from atomistic-based Kinetic Monte Carlo simulations. Model predictions and validations of RIS and the effect of defect production, grain boundary sink strength and density are demonstrated for a model FCC FeCrNi system. We also demonstrate the novel capability to describe RIS in the presence of equilibrium segregation described using a density-based CALPHAD thermodynamic framework. This modeling approach overcomes certain limitations in conventional RIS models and provides a step closer towards multiscale modeling.

• Research Organization: Idaho National Laboratory (INL), Idaho Falls, ID (United States)
• Sponsoring Organization: 58
• DOE Contract Number: AC07-05ID14517
• OSTI ID: 2405092
• Report Number(s): INL/CON-22-68933-Rev000
• Country of Publication: United States
• Language: English

Related Subjects

73 NUCLEAR PHYSICS AND RADIATION PHYSICS
75 CONDENSED MATTER PHYSICS
SUPERCONDUCTIVITY AND SUPERFLUIDITY
FeCrNi alloys
Radiation induced segregation
multiscale modeling
phase-field method