A first-principles approach to determine surface stability of Pt and Ir doped on β2 FeAl (011) plane

Ferroaluminum (FeAl) is a ferroalloy metal which usually consists of 40% to 60% aluminium. It is of great applications which include de-oxidation of steel, hard-facing applications, reducing agents, thermite reactions, AlNiCo magnets, and alloying additions to welding wires and fluxes. Herein, to in...

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Bibliographic Details
Published in:MATEC web of conferences 2024, Vol.406, p.6020
Main Authors: Mkhonto, Christine, Lethole, Ndanduleni, Ngoepe, Phuti, Chauke, Hasani
Format: Article
Language:English
Subjects:
Alloying
Corrosion products
Corrosion rate
Corrosion resistance
Dynamic structural analysis
Ferroalloys
Ferrous alloys
First principles
Hard surfacing
Heat resistant steels
High temperature
Intermetallic compounds
Iron aluminides
Magnets
Molecular dynamics
Oxidation
Oxidation resistance
Penetration resistance
Reducing agents
Stainless steels
Surface stability
Temperature dependence
Welding wire
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Summary:Ferroaluminum (FeAl) is a ferroalloy metal which usually consists of 40% to 60% aluminium. It is of great applications which include de-oxidation of steel, hard-facing applications, reducing agents, thermite reactions, AlNiCo magnets, and alloying additions to welding wires and fluxes. Herein, to investigate the structure of FeAl mesoscopic crystals segregating in solid state alloys, we have determined their equilibrium structures based on the First-principles approach and molecular dynamics techniques for stoichiometric surface terminations and temperature dependence. Thus, the investigation of surface stability and interaction with either Pt/Ir will provide insights into the strength and oxidation behaviour of the FeAl ternary doped systems. The predicted stable systems showed enhanced stability for corrosion reduction. The alumina layer formed on the metal's surface acts as a good barrier against oxygen penetration, delaying the production of other faster-growing oxides. The major goal of this study is to use coating to increase stainless-steels for high-temperature oxidation resistance.
ISSN:2261-236X
2274-7214
2261-236X
DOI:10.1051/matecconf/202440606020