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Meeting 2026 TMS Annual Meeting & Exhibition
Symposium Nanostructured Materials in Extreme Environments IV
Presentation Title Phase-Field Modeling of the Transition From Protective External Oxides to Detrimental Internal Oxidation in Ni-Cr Alloys
Author(s) Ziming Zhong, Kumar Ankit
On-Site Speaker (Planned) Kumar Ankit
Abstract Scope Understanding oxidation in Ni-based alloys is key to developing materials for high-temperature applications. A critical concern is the transition from protective external oxides to harmful internal oxidation, driven by the interplay between oxygen diffusion and reactive phase formation. We present a CALPHAD-informed phase-field model that captures this phenomenon by coupling oxygen diffusion with thermodynamic and kinetic parameters. The model matches one-dimensional predictions from DICTRA and extends to two-dimensional simulations that reveal chromium oxide growth and linking. By varying chromium content, our results identify a compositional threshold separating external from internal oxidation regimes. This threshold correlates with precipitate distribution and size, offering a basis for alloy design strategies to suppress internal oxidation.
Proceedings Inclusion? Planned:
Keywords Modeling and Simulation, High-Temperature Materials, Phase Transformations

OTHER PAPERS PLANNED FOR THIS SYMPOSIUM

Atomic-Scale Defect Healing in In2O3 Under Dual Stage Radiation
Atomistic Simulations Investigating the Effects of Nano-Dispersoids on Early-Stage Oxidation Mechanisms
Designing Stable Nanoporous UHTCs for High Temperature Aerospace Applications
Fabrication and Thermal Stability of Nanoporous Tungsten
Grain Boundary Segregation and Nanoscale Precipitation in Fe-Based Alloys
Ion Irradiation Induced Diamond Graphitization: An Evaluation of the Efficiency of Different Ion Species
Irradiation Induced Twin-Fading in Epsilon Phase Zirconium Hydride
Molecular Dynamics Simulations of Displacement Cascades and Defect Formation in Zr-Nb Due to Irradiation
Phase-Field Modeling of Nanotwin Evolution and Grain Boundary Interactions in Ni-Based Alloys
Phase-Field Modeling of the Transition From Protective External Oxides to Detrimental Internal Oxidation in Ni-Cr Alloys
Understanding of Structure and Stability of Three-Dimensional Interfaces Under Irradiation
Understanding Phases Produced by Irradiation-Induced Amorphous-to-Crystalline Transformations in Nanostructured Ceramics

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