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Meeting MS&T23: Materials Science & Technology
Symposium Computation Assisted Materials Development for Improved Corrosion Resistance
Presentation Title Phase-field Modeling of Internal Oxidation in High-temperature Ni-Cr Alloys
Author(s) Peichen Wu, Rishi Pillai, Kumar Ankit
On-Site Speaker (Planned) Kumar Ankit
Abstract Scope The morphological evolution of oxides in Ni-base alloys is governed by a complex interplay of multicomponent diffusion and heterogeneous reactions. Predicting the evolution of oxide particles is crucial in mitigating oxygen-induced degradation, as the transition from external to internal oxidation is strongly influenced by this process. This presents a significant challenge in high-temperature alloys, where the impact of multicomponent diffusion and grain boundaries on internal oxidation cannot be fully understood through experiments alone. In this study, we present a CALPHAD-informed phase-field model for forecasting the oxidation kinetics in Ni-Cr alloys during high-temperature oxidation. The influence of grain boundaries, initial microstructure, and operating conditions on the morphological evolution of oxide particles will be discussed and the simulation outcomes will be compared to experiments.


A Phase Field Model to Simulate Crack Initiation from Pitting Site in Isotropic and Anisotropic Elastoplastic Material
Atomic Origin of CO2-promoted Oxidation Dynamics of Chromia-forming Alloys
Classical Molecular Dynamics Simulation of Electrochemical Oxidation and Dissolution of Platinum Alloy Nanoparticles
Dissolution of Metal Nanoparticles in Solution: Atomic-scale Computational Investigation
Fundamental Design of Alloys Resistant to H-embrittlement: Simulation Insights on Nanoscale H-defects Interactions
Investigate the Interfacial Behavior between Molten Fluoride Salt and Ni-Cr Alloy with ReaxFF Molecular Dynamics
Modeling Changes in Scale Formation on Copper-nickel Alloys in Response to Environment Changes
Nanoporous High Entropy Alloys: A New Class of Materials with Remarkable Mechanical and Corrosion Properties
On the Effects of Texture and Grain Morphology on Hydrogen Transport Towards Notch Tips
Phase-field Modeling of Internal Oxidation in High-temperature Ni-Cr Alloys
Phase Field Modeling of Molten Salt Dealloying Corrosion of NiCr Alloys

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