About this Abstract |
Meeting |
MS&T22: Materials Science & Technology
|
Symposium
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Tackling Structural Materials Challenges for Advanced Nuclear Reactors
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Presentation Title |
Phase-field Modeling of Radiation Induced Segregation for Multicomponent Alloys: Kinetic Monte Carlo and CALPHAD-Informed Simulations |
Author(s) |
Sourabh Bhagwan Kadambi, Daniel Schwen, Yongfeng Zhang, Lingfeng He |
On-Site Speaker (Planned) |
Sourabh Bhagwan Kadambi |
Abstract Scope |
Structural alloys under irradiation are known to undergo radiation-induced solute redistribution (RIS) at grain boundaries, leading to detrimental effects of intergranular corrosion and stress-assisted cracking. To better understand and mitigate such effects, 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 will be demonstrated for model FCC FeCrNi system. Finally, we will demonstrate the novel capability of the model to describe RIS in the presence of equilibrium segregation described using a density-based CALPHAD thermodynamics. |