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Meeting Materials Science & Technology 2020
Symposium Computation Assisted Materials Development for Improved Corrosion Resistance
Presentation Title Simulation of Dissolution of \Gamma\Prime Precipitates in Ni-base Superalloys during Oxidation
Author(s) Taiwu Yu, Christopher Taylor, Babu Viswanathan, Brett Tossey, Yunzhi Wang
On-Site Speaker (Planned) Taiwu Yu
Abstract Scope Slow-growing oxides like Al2O3 and Cr2O3 form at the surface of Ni-base superalloy heat exchangers during high temperature exposure, which alters the microstructure near the surface due to the depletion of the oxidizing elements. In this presentation we show how to combine density functional theory and DICTRA simulation to calculate concentration variation of the oxidizing elements and dissolution of precipitates of Alloy 282. By DICTRA we predict quantitatively concentration profiles and the volume fraction of precipitates. The changes of average particle size as well as size distribution of the precipitates are conducted through Panprecipitation module in Pandat. Furthermore, a parallel simulation is conducted based on a phase field model to show more details on the change of precipitate microstructure during the dissolution. The simulation results are compared with experimental characterization and they show a good agreement. This work illustrates the usefulness of applying the CALPHAD methods in designing oxidation-resistance alloys.
Proceedings Inclusion? Planned: At-meeting proceedings

OTHER PAPERS PLANNED FOR THIS SYMPOSIUM

Applying Machine Learning to Determine the Corrosion Resistance of Alloys
Assessing High Temperature Durability for Long-term Applications
Development of a Multiscale Corrosion Model for Valve Steels in a Gasoline Engine Environment
High Temperature Oxidation Lifetime Modeling of FeCr and NiCr Foils in Water Vapor
Introductory Comments: Computation Assisted Materials Development for Improved Corrosion Resistance
Machine Learning to Predict Cyclic Oxidation of NiCr-based alloys
Metal-Oxide Bond-energy Models for Bond Energies of Alloy Oxides in Corrosion
Simulation of Dissolution of \Gamma\Prime Precipitates in Ni-base Superalloys during Oxidation
Tailoring the Microstructure of Eutectoid Steels during Annealing for Improved Corrosion Resistance: Insights from Phase-field Simulations

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