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Meeting 2027 TMS Annual Meeting & Exhibition
Symposium Computational Thermodynamics and Kinetics
Presentation Title Predicting driven defect-phase formation in irradiated nanocrystalline Ni-Si
Author(s) Nicholas Saunders, Daniel Vizoso, Remi Dingreville, Robert Averback, Pascal Bellon
On-Site Speaker (Planned) Nicholas Saunders
Abstract Scope Materials driven by external forcing, such as irradiated alloys, often form distinct chemical phases along extended defects like dislocations and grain boundaries, called driven defect-phases. We introduce a physics-informed multifield phase-field model, enabling alloy design for nonequilibrium alloys via defect-phase diagrams. We construct defect-phase diagrams of irradiated polycrystalline Ni-Si, highlighting mechanisms not previously investigated concurrently, including chemical segregation and precipitation, accelerated grain boundary diffusion, ballistic chemical mixing, and grain growth. We develop numerical scaling laws for the characteristics of radiation-induced segregation as a function of grain size, concentration, and ballistic mixing. We propose an effective Wiedersich segregation parameter that quantitatively predicts the reduction in segregation due to heavy ballistic mixing. The predicted morphology and site selection for precipitation within the microstructure are compared with experimental characterizations of irradiated Ni-Si. We discuss how driven defect-phases can be used to increase radiation resistance and resilience.
Proceedings Inclusion? Planned:
Keywords Phase Transformations, Computational Materials Science & Engineering, Modeling and Simulation

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