Abstract
Despite the advent of numerical modeling approaches and high-performance computing infrastructure, the design and development of corrosion-resistant high temperature alloys (> 500 °C) continue to be largely empirical and typically involve extensive experimentation. This is mainly due to the lack of a single unified physics-based model that can address the impact of multiple competing factors such as time, environment, alloy composition, microstructure, and geometry. The classical Wagner’s criteria have been foundational to estimate the minimum concentrations required of an oxide-forming element to establish and sustain a protective oxide scale. However, the formulation is primarily limited to lower-order alloy systems (binary alloys) and ignores the time dependence of subsurface compositional changes in the alloy. The lack of key data on the temperature and composition dependence of the solubility and transport of oxidants in multicomponent-multiphase alloys further exacerbates the problem. In the present work, a few of these limitations were addressed using a flux-based approach (FLAP) which tracks the spatiotemporal evolution of the fundamental flux balance between oxygen and the oxide-forming elements to enable the prediction of the formation of an external alumina scale in ternary NiCrAl alloys. The modeling results were validated with the literature findings and additional experimental work conducted in the present work.
Original language | English |
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Pages (from-to) | 683-708 |
Number of pages | 26 |
Journal | High Temperature Corrosion of Materials |
Volume | 100 |
Issue number | 5-6 |
DOIs | |
State | Published - Dec 2023 |
Funding
J. Wade and G. Garner assisted with the experimental work at ORNL. V. Cox, T. Lowe and M. Romedenne are thanked for helping with metallography and microstructural characterization, respectively. Mackenzie Ridley is thanked for his valuable comments on the paper. The authors are grateful to Michael P. Brady for the technical discussions on the paper. The authors appreciate the continued support of J. A. Haynes as program manager. This manuscript has been authored by UT-Battelle, LLC, under contract DE-AC05-00OR22725 with the US Department of Energy (DOE). The US government retains and the publisher, by accepting the article for publication, acknowledges that the US government retains a nonexclusive, paid-up, irrevocable, worldwide license to publish or reproduce the published form of this manuscript, or allow others to do so, for US government purposes. DOE will provide public access to these results of federally sponsored research in accordance with the DOE Public Access Plan (http://energy.gov/downloads/doe-public-access-plan). The authors would like to thank the U.S. Department of Energy, Office of Vehicle Technologies, Powertrain Materials Core Program for funding this work. J. Wade and G. Garner assisted with the experimental work at ORNL. V. Cox, T. Lowe and M. Romedenne are thanked for helping with metallography and microstructural characterization, respectively. Mackenzie Ridley is thanked for his valuable comments on the paper. The authors are grateful to Michael P. Brady for the technical discussions on the paper. The authors appreciate the continued support of J. A. Haynes as program manager. This manuscript has been authored by UT-Battelle, LLC, under contract DE-AC05-00OR22725 with the US Department of Energy (DOE). The US government retains and the publisher, by accepting the article for publication, acknowledges that the US government retains a nonexclusive, paid-up, irrevocable, worldwide license to publish or reproduce the published form of this manuscript, or allow others to do so, for US government purposes. DOE will provide public access to these results of federally sponsored research in accordance with the DOE Public Access Plan ( http://energy.gov/downloads/doe-public-access-plan ).
Keywords
- Computation-assisted design of oxidation resistant alloys
- NiCrAl alloys
- Transition from internal to external oxidation