Atomic-scale understanding of oxide growth and dissolution kinetics of Ni-Cr alloys
Abstract Aqueous corrosion of metals is governed by formation and dissolution of a passivating, multi-component surface oxide. Unfortunately, a detailed atomistic description is challenging due to the compositional complexity and the need to consider multiple kinetic factors simultaneously. To this...
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| Format: | Article |
| Language: | English |
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Nature Portfolio
2025-01-01
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| Series: | Nature Communications |
| Online Access: | https://doi.org/10.1038/s41467-024-54627-x |
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| author | Penghao Xiao Christine A. Orme S. Roger Qiu Tuan Anh Pham Seongkoo Cho Michael Bagge-Hansen Brandon C. Wood |
| author_facet | Penghao Xiao Christine A. Orme S. Roger Qiu Tuan Anh Pham Seongkoo Cho Michael Bagge-Hansen Brandon C. Wood |
| author_sort | Penghao Xiao |
| collection | DOAJ |
| description | Abstract Aqueous corrosion of metals is governed by formation and dissolution of a passivating, multi-component surface oxide. Unfortunately, a detailed atomistic description is challenging due to the compositional complexity and the need to consider multiple kinetic factors simultaneously. To this end, we combine experiments with a first-principles-derived, multiscale computational framework that transcends thermodynamic descriptions to explicitly simulate the kinetic evolution of surface oxides of Ni-Cr alloys as a function of composition, temperature, pH, and applied voltage. In the absence of pitting, we identify three distinct voltage regimes, which are kinetically dominated by oxide growth, dissolution, and competitive dissolution and reprecipitation. Evolving compositional gradients and oxide thickness are revealed, including a transition between a metastable Ni-Cr mixed oxide and a thick, porous Ni-dominated oxide. Beyond elucidating the underlying physics, we highlight the need for competing kinetics in models to properly predict the transition from passivation to corrosion. Our results provide a key step towards co-design of alloy composition alongside environmental conditions for sustainable use across a variety of critical energy and infrastructure applications. |
| format | Article |
| id | doaj-art-4319fb9534a744bb8e5ea6ff37d414a2 |
| institution | Kabale University |
| issn | 2041-1723 |
| language | English |
| publishDate | 2025-01-01 |
| publisher | Nature Portfolio |
| record_format | Article |
| series | Nature Communications |
| spelling | doaj-art-4319fb9534a744bb8e5ea6ff37d414a22025-01-05T12:40:26ZengNature PortfolioNature Communications2041-17232025-01-0116111510.1038/s41467-024-54627-xAtomic-scale understanding of oxide growth and dissolution kinetics of Ni-Cr alloysPenghao Xiao0Christine A. Orme1S. Roger Qiu2Tuan Anh Pham3Seongkoo Cho4Michael Bagge-Hansen5Brandon C. Wood6Department of Physics and Atmospheric Science, Dalhousie UniversityMaterials Science Division, Lawrence Livermore National LaboratoryMaterials Science Division, Lawrence Livermore National LaboratoryMaterials Science Division, Lawrence Livermore National LaboratoryMaterials Science Division, Lawrence Livermore National LaboratoryMaterials Science Division, Lawrence Livermore National LaboratoryMaterials Science Division, Lawrence Livermore National LaboratoryAbstract Aqueous corrosion of metals is governed by formation and dissolution of a passivating, multi-component surface oxide. Unfortunately, a detailed atomistic description is challenging due to the compositional complexity and the need to consider multiple kinetic factors simultaneously. To this end, we combine experiments with a first-principles-derived, multiscale computational framework that transcends thermodynamic descriptions to explicitly simulate the kinetic evolution of surface oxides of Ni-Cr alloys as a function of composition, temperature, pH, and applied voltage. In the absence of pitting, we identify three distinct voltage regimes, which are kinetically dominated by oxide growth, dissolution, and competitive dissolution and reprecipitation. Evolving compositional gradients and oxide thickness are revealed, including a transition between a metastable Ni-Cr mixed oxide and a thick, porous Ni-dominated oxide. Beyond elucidating the underlying physics, we highlight the need for competing kinetics in models to properly predict the transition from passivation to corrosion. Our results provide a key step towards co-design of alloy composition alongside environmental conditions for sustainable use across a variety of critical energy and infrastructure applications.https://doi.org/10.1038/s41467-024-54627-x |
| spellingShingle | Penghao Xiao Christine A. Orme S. Roger Qiu Tuan Anh Pham Seongkoo Cho Michael Bagge-Hansen Brandon C. Wood Atomic-scale understanding of oxide growth and dissolution kinetics of Ni-Cr alloys Nature Communications |
| title | Atomic-scale understanding of oxide growth and dissolution kinetics of Ni-Cr alloys |
| title_full | Atomic-scale understanding of oxide growth and dissolution kinetics of Ni-Cr alloys |
| title_fullStr | Atomic-scale understanding of oxide growth and dissolution kinetics of Ni-Cr alloys |
| title_full_unstemmed | Atomic-scale understanding of oxide growth and dissolution kinetics of Ni-Cr alloys |
| title_short | Atomic-scale understanding of oxide growth and dissolution kinetics of Ni-Cr alloys |
| title_sort | atomic scale understanding of oxide growth and dissolution kinetics of ni cr alloys |
| url | https://doi.org/10.1038/s41467-024-54627-x |
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