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Study of the Formation of Oxides Layers on Alloy Surfaces...
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Study of the Formation of Oxides Layers on Alloy Surfaces and at the Oxide-Matrix Interfaces

A special issue of Metals (ISSN 2075-4701).

Deadline for manuscript submissions: closed (30 September 2022) | Viewed by 9925

Special Issue Editors

Prof. Dr. Svetlana E. Kulkova

E-Mail Website
Guest Editor
Laboratory of Physics of Nonlinear Media, Institute of Strength Physics and Materials Science, Siberian Branch of Russian Academy of Sciences, Tomsk, Russia; Physical Faculty, Tomsk State University, Tomsk, Russia
Interests: electronic structure; surface and interface; adsorption and adhesion; oxidation and diffusion; titanium alloys; thin films and coatings; mechanical properties; corrosion resistance
Dr. Alexander Bakulin

E-Mail Website
Guest Editor
Laboratory of Physics of Nonlinear Media, Institute of Strength Physics and Materials Science, Siberian Branch of Russian Academy of Sciences, Tomsk, Russia
Interests: electronic structure; surface and interface; adsorption and adhesion; oxidation and diffusion; titanium alloys; thin films and coatings; mechanical properties; corrosion resistance

Special Issue Information

Dear Colleagues,

Metallic alloys and intermetallic compounds are widely used in many fields, such as aerospace, aviation, marine, automobile and chemical engineering, as well as in other industries. However, insufficient high-temperature oxidation resistance of these materials can restrict their application at high temperatures. An enhancement of their oxidation and hot corrosion resistance, along with maintaining their mechanical or functional properties, is of considerable fundamental interest and technological importance. In order to improve the functional properties of materials, various alloying elements and their combinations, along with surface modification, are used. However, the problem remains unresolved in spite of numerous experimental and theoretical studies during the past decades. Detailed studies of the influence of impurities on alloy oxidation, the formation of oxide scale and the stability of oxide–matrix interfaces are still necessary due to increasing demands for the corrosion resistance of structural materials to be improved.

This Special Issue is focused on theoretical and experimental studies of the interaction of oxygen with material matrices, its diffusion, oxide scale formation on a surface and the formation of intermediate layers at oxide–matrix interfaces, in addition to the influence of impurities on these processes. Reviews and original articles in the areas of computer simulations of surface and interface science, including electronic structures, mechanical properties, oxygen diffusion and self-diffusion characteristics, as well as experimental investigations of the evolution of surface and interface structures, physico-mechanical properties under oxidation or loading and the effect of oxygen on additive technology processes are welcomed.

Prof. Dr. Svetlana E. Kulkova
Dr. Alexander Bakulin
Guest Editors

Manuscript Submission Information

Manuscripts should be submitted online at www.mdpi.com by registering and logging in to this website. Once you are registered, click here to go to the submission form. Manuscripts can be submitted until the deadline. All submissions that pass pre-check are peer-reviewed. Accepted papers will be published continuously in the journal (as soon as accepted) and will be listed together on the special issue website. Research articles, review articles as well as short communications are invited. For planned papers, a title and short abstract (about 100 words) can be sent to the Editorial Office for announcement on this website.

Submitted manuscripts should not have been published previously, nor be under consideration for publication elsewhere (except conference proceedings papers). All manuscripts are thoroughly refereed through a single-blind peer-review process. A guide for authors and other relevant information for submission of manuscripts is available on the Instructions for Authors page. Metals is an international peer-reviewed open access monthly journal published by MDPI.

Please visit the Instructions for Authors page before submitting a manuscript. The Article Processing Charge (APC) for publication in this open access journal is 2600 CHF (Swiss Francs). Submitted papers should be well formatted and use good English. Authors may use MDPI's English editing service prior to publication or during author revisions.

Keywords

  • alloys
  • intermetallics
  • surface and interface
  • sorption
  • diffusion
  • adhesion
  • corrosion
  • electronic structure
  • mechanical properties
  • impurities

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Published Papers (4 papers)

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Research

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14 pages, 3047 KiB  
Article
Impurity Combination Effect on Oxygen Absorption in α2-Ti3Al
by Alexander V. Bakulin, Lora S. Chumakova, Sergey O. Kasparyan and Svetlana E. Kulkova
Metals 2022, 12(4), 650; https://doi.org/10.3390/met12040650 - 11 Apr 2022
Cited by 2 | Viewed by 1514
Abstract
The effect of substitutional impurities of the transition metals of VB–VIIB groups on the oxygen absorption in the doped α2-Ti3Al alloy was studied by the projector-augmented wave method within the density functional theory. It is established that all considered [...] Read more.
The effect of substitutional impurities of the transition metals of VB–VIIB groups on the oxygen absorption in the doped α2-Ti3Al alloy was studied by the projector-augmented wave method within the density functional theory. It is established that all considered impurities prefer to substitute for a Ti atom rather than an Al atom. Changes in the absorption energy due to impurities being in the first neighbors of the oxygen atom were estimated. It was demonstrated that the doping resulted in a decrease in the oxygen absorption energy, which is mainly caused by the chemical contribution to it. The interaction energy between impurity atoms was calculated in the dependence on the interatomic distance. It was shown that the configuration with the impurity atoms being in the second neighbors of each other was stable in comparison with other possible configurations. The influence of two impurity atoms being in the first neighbors of oxygen is additively enhanced. It was revealed that the effect of two impurity atoms on the oxygen absorption energy can be estimated as the sum of the effects of separate impurities with an accuracy of more than ~90%. Full article
(This article belongs to the Special Issue Study of the Formation of Oxides Layers on Alloy Surfaces and at the Oxide-Matrix Interfaces)
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12 pages, 3030 KiB  
Article
Interaction of Oxygen with the Stable Ti5Si3 Surface
by Lora S. Chumakova, Alexander V. Bakulin, Stephen Hocker, Siegfried Schmauder and Svetlana E. Kulkova
Metals 2022, 12(3), 492; https://doi.org/10.3390/met12030492 - 14 Mar 2022
Cited by 7 | Viewed by 2003
Abstract
The atomic structure and surface energies of several low-index surfaces (0001), (11¯00) and (112¯0) of Ti5Si3 in dependence on their termination were calculated by the projector augmented-wave method within the [...] Read more.
The atomic structure and surface energies of several low-index surfaces (0001), (11¯00) and (112¯0) of Ti5Si3 in dependence on their termination were calculated by the projector augmented-wave method within the density functional theory. It was revealed that the mixed TiSi-terminated (0001) surface is stable within the wide range of change in the Ti chemical potential. However, the Ti-terminated Ti5Si3(0001) surface is slightly lower in energy in the Ti-rich limit. The oxygen adsorption on the stable Ti5Si3(0001) surface with TiSi termination was also studied. It was shown that the three-fold coordinated F1 position in the center of the triangle formed by surface titanium atoms is the most preferred for oxygen adsorption on the surface. The appearance of silicon as neighbors of oxygen in other considered F-positions leads to a decrease in the adsorption energy. The factors responsible for the increase/decrease in the oxygen adsorption energy in the considered positions on the titanium silicide surface are discussed. Full article
(This article belongs to the Special Issue Study of the Formation of Oxides Layers on Alloy Surfaces and at the Oxide-Matrix Interfaces)
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10 pages, 15226 KiB  
Article
Kinetic Study of Oxide Growth at High Temperature in Low Carbon Steel
by Sixtos Antonio Arreola-Villa, Héctor Javier Vergara-Hernández, Gildardo Solorio-Diáz, Alejandro Pérez-Alvarado, Octavio Vázquez-Gómez and Gerardo Marx Chávez-Campos
Metals 2022, 12(1), 147; https://doi.org/10.3390/met12010147 - 13 Jan 2022
Cited by 7 | Viewed by 3100
Abstract
High-temperature surface oxidation kinetics were determined for low-carbon steel using a Joule heating device on hollow cylindrical specimens. The growth of the oxide layer was measured in situ between 800 and 1050 ∘C under isothermal oxidation conditions and in an air laboratory [...] Read more.
High-temperature surface oxidation kinetics were determined for low-carbon steel using a Joule heating device on hollow cylindrical specimens. The growth of the oxide layer was measured in situ between 800 and 1050 ∘C under isothermal oxidation conditions and in an air laboratory atmosphere (O2 = 20.3% and humidity = 42%). Through a laser and infrared measuring system, the expansion and temperature were measured continuously. From the data acquired, the oxidation kinetic parameters were obtained at different temperatures with a parabolic-type growth model to estimate the rate of oxide layer generation. The convergence degree of the data fitted with the oxidation model was acceptable and appropriately correlated with the experimental data. Finally, comparisons were made between the estimated kinetic parameters and those reported in the literature, observing that the activation energy values obtained are in the range of the reported values. Full article
(This article belongs to the Special Issue Study of the Formation of Oxides Layers on Alloy Surfaces and at the Oxide-Matrix Interfaces)
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Review

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18 pages, 4590 KiB  
Review
Research Progress of First Principles Studies on Oxidation Behaviors of Ti-Al Alloys and Alloying Influence
by Yue Li, Jianhong Dai and Yan Song
Metals 2021, 11(6), 985; https://doi.org/10.3390/met11060985 - 20 Jun 2021
Cited by 7 | Viewed by 2501
Abstract
Ti-Al alloys have good prospects in the aerospace, automobile, and other fields because of their excellent mechanical properties. However, the lack of high temperature oxidation resistance limits their practical applications. Various ways have been used to study their oxidation behaviors. Besides numerous experimental [...] Read more.
Ti-Al alloys have good prospects in the aerospace, automobile, and other fields because of their excellent mechanical properties. However, the lack of high temperature oxidation resistance limits their practical applications. Various ways have been used to study their oxidation behaviors. Besides numerous experimental studies focused on the oxidation resistance properties of Ti-Al alloys, theoretical research based on first principles calculations has been carried out on the oxidation mechanisms on the atomic and electronic scales. In recent years, these theoretical studies have provided strong support for understanding the oxidation mechanisms and designing anti-oxidation modification measures. This review will focus on the surface oxidation reactions, element diffusion behaviors and interface bonding properties. The influencing mechanisms of alloying elements on the oxidation properties will be discussed in detail. Full article
(This article belongs to the Special Issue Study of the Formation of Oxides Layers on Alloy Surfaces and at the Oxide-Matrix Interfaces)
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