Oxidation of Metals and Alloys

Hou, P.Y.

doi:10.1016/b978-0-12-803581-8.01570-8

Cited by 4 publications

(2 citation statements)

References 378 publications

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“…This suggests that, in an iron-rich environment, oxygen vacancies will begin to form spontaneously or, said another way, Fe 2 O 3 will have a tendency to reduce toward Fe 3 O 4 . This is consistent with the fact that, in experiments of oxide-scale growth, the oxide scale is multilayered, consisting of both Fe 2 O 3 and Fe 3 O 4 . − …”

Section: Resultssupporting

confidence: 85%

Critical Assessment of the Thermodynamics of Vacancy Formation in Fe₂O₃ Using Hybrid Density Functional Theory

et al. 2020

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Fe2O3 hematite is a technologically important material with applications in energy storage as well as being the key phase formed in the rust of iron-based materials. Despite this central importance, there is much that is still unknown regarding the properties of defects in Fe2O3 and consequently oxide growth. Here, using screened hybrid density functional theory (HSE06), we consider the thermodynamics of vacancies in Fe2O3, considering the effects of ionic and electronic chemical potentials on both iron and oxygen vacancy formation. We find that, in the oxygen-rich limit, iron vacancies are easier to form, though the difference in formation energy between the two vacancies is only about 1 eV. In contrast, in the Fe-rich limit, oxygen vacancies have an extremely low formation energy, only 0.07 eV at mid-gap, and would spontaneously form as the Fermi level is reduced, while Fe vacancies require over 5 eV to form. Consistent with experiment, this indicates that Fe2O3 is relatively easily reduced but not oxidized. However, the theoretical picture is very different when considering other exchange–correlation functionals (GGA + U or SCAN), emphasizing the critical role of the exchange–correlation functional in describing this system accurately.

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Section: Resultssupporting

confidence: 85%

Critical Assessment of the Thermodynamics of Vacancy Formation in Fe₂O₃ Using Hybrid Density Functional Theory

et al. 2020

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“…Chromia-forming alloys can form a continuous and compact Cr 2 O 3 scale to provide excellent oxidation resistance at service temperatures not exceeding 900 °C. Their use at temperatures higher than 1050 °C is limited due to the formation of volatile CrO 3 [ 10 , 11 , 12 , 13 ]. The alumina-forming alloys are commonly employed for practical applications, due to the slow growth rate and long-term chemical stability of Al 2 O 3 above 800 °C [ 4 , 14 , 15 , 16 , 17 , 18 , 19 ].…”

Section: Introductionmentioning

confidence: 99%

The Effects of Alloying Elements Cr, Al, and Si on Oxidation Behaviors of Ni-Based Superalloys

Ding

Wei

et al. 2022

Materials

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Oxidation behaviors of three Ni-based model alloys and pure Ni in the temperature range of 700–1200 °C are investigated to reveal effects of Cr, Al, and Si on the oxidation resistance of Ni-based superalloys. The formation and integrity of consecutive chromia or alumina layers are important for excellent oxidation resistance. The addition of 20 at.% Cr can effectively improve the oxidation resistance of Ni-based alloys by forming a thin chromia film below 1000 °C, while adding 15 at.% Al has a beneficial effect on the oxidation resistance of Ni-based alloys at temperatures above 900 °C. The addition of 2 at.% Si to Ni-Al alloy is insufficient to form a protective SiO2 layer but can accelerate the formation of alumina, which enables Ni-Al alloy to form a consecutive inner alumina layer at a relatively low temperature of 800 °C and further improve the oxidation resistance above 800 °C.

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Lead Free Solder Compatibility Improvement on Nichrome Alloy Through Contact Angle Modification

Kumarasiri

Attygalle

Amarasinghe

2019

2019 Moratuwa Engineering Research Conference (MERCon)

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Oxidation of Metals and Alloys

Cited by 4 publications

References 378 publications

Critical Assessment of the Thermodynamics of Vacancy Formation in Fe₂O₃ Using Hybrid Density Functional Theory

Critical Assessment of the Thermodynamics of Vacancy Formation in Fe₂O₃ Using Hybrid Density Functional Theory

The Effects of Alloying Elements Cr, Al, and Si on Oxidation Behaviors of Ni-Based Superalloys

Lead Free Solder Compatibility Improvement on Nichrome Alloy Through Contact Angle Modification

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Oxidation of Metals and Alloys

Cited by 4 publications

References 378 publications

Critical Assessment of the Thermodynamics of Vacancy Formation in Fe2O3 Using Hybrid Density Functional Theory

Critical Assessment of the Thermodynamics of Vacancy Formation in Fe2O3 Using Hybrid Density Functional Theory

The Effects of Alloying Elements Cr, Al, and Si on Oxidation Behaviors of Ni-Based Superalloys

Lead Free Solder Compatibility Improvement on Nichrome Alloy Through Contact Angle Modification

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Critical Assessment of the Thermodynamics of Vacancy Formation in Fe₂O₃ Using Hybrid Density Functional Theory

Critical Assessment of the Thermodynamics of Vacancy Formation in Fe₂O₃ Using Hybrid Density Functional Theory