Presentation Information
[31q821XY-05]Predicted Fe1-XYXAl Ternary Systems Doped with Pt and Ru Metal: High-temperature Materials for Component Coating in Steel
*Christine Mkhonto1, Ndanduleni Lesley Lethole2, Phuti Esrom Ngoepe3 (1. University of Limpopo (South Africa), 2. Sefako Makgato Institution (South Africa), 3. University of Limpopo (South Africa))
Keywords:
β2 FeAl,ternary doping,stability,ductility,temperature effect
[Purpose]
Iron aluminide is a metal alloy with unique properties such as high strength and temperature resistance, making it suitable for applications in the aerospace, automotive, and energy sectors. The FeAl alloy has a higher specific modulus, strength-to-weight ratio, corrosion and oxidation resistance. However suffer from limited room temperature ductility above 873 K. Low-density steels are in demand in the steel market for lighter materials with optimal mix of structural and mechanical properties. The FeAl system is characterised by 156 super-lattice, minimising dislocation and diffusion at increased temperatures, making them desirable for high temperature applications.
[Method]
Cluster expansion (CE) was used to determine thermodynamic properties and First-principles method was used to determine mechanical properties. Furthermore, molecular dynamics was used to investigate lattice expansion, binding energies, and Gibbs free energies.
[Results]
We investigated the thermodynamic properties of the predicted Fe1-XYXAl ternary systems to understand the effect of temperature, ductility enhancement for superior protection steel-IT. CE demonstrated increased thermodynamic stability. The FePt3Al4, FePtAl2, and (FePt2Al3)2 structures outperformed the predicted Fe1-XRuXAl ternary systems in stability. MC showed that the Fe1-xRuxAl systems reached an equilibrium phase between 2600 K to 3100 K. Moreover, the bulk moduli, Pugh ratios, and Poisson ratios showed that hardness and ductility are significantly enhanced by Pt and Ru ternary alloying and FePt3Al6 is the most ductile system.
[Consideration]
These findings showed that Fe1-xPt/RuxAl ternary systems are promising materials for component coating for high-strength application superior protection.
[Conclusion]
Pt and Ru showed improvement and stabilised in their properties on β2 FeAl alloy. Thus, the concentration of Al is maintained high enough to form a compact, well-adhered layer for coating with high capacity adhesion for superior protection in steel market.
Iron aluminide is a metal alloy with unique properties such as high strength and temperature resistance, making it suitable for applications in the aerospace, automotive, and energy sectors. The FeAl alloy has a higher specific modulus, strength-to-weight ratio, corrosion and oxidation resistance. However suffer from limited room temperature ductility above 873 K. Low-density steels are in demand in the steel market for lighter materials with optimal mix of structural and mechanical properties. The FeAl system is characterised by 156 super-lattice, minimising dislocation and diffusion at increased temperatures, making them desirable for high temperature applications.
[Method]
Cluster expansion (CE) was used to determine thermodynamic properties and First-principles method was used to determine mechanical properties. Furthermore, molecular dynamics was used to investigate lattice expansion, binding energies, and Gibbs free energies.
[Results]
We investigated the thermodynamic properties of the predicted Fe1-XYXAl ternary systems to understand the effect of temperature, ductility enhancement for superior protection steel-IT. CE demonstrated increased thermodynamic stability. The FePt3Al4, FePtAl2, and (FePt2Al3)2 structures outperformed the predicted Fe1-XRuXAl ternary systems in stability. MC showed that the Fe1-xRuxAl systems reached an equilibrium phase between 2600 K to 3100 K. Moreover, the bulk moduli, Pugh ratios, and Poisson ratios showed that hardness and ductility are significantly enhanced by Pt and Ru ternary alloying and FePt3Al6 is the most ductile system.
[Consideration]
These findings showed that Fe1-xPt/RuxAl ternary systems are promising materials for component coating for high-strength application superior protection.
[Conclusion]
Pt and Ru showed improvement and stabilised in their properties on β2 FeAl alloy. Thus, the concentration of Al is maintained high enough to form a compact, well-adhered layer for coating with high capacity adhesion for superior protection in steel market.
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