“…Furthermore, it was observed that the Fe1-XIrXAl system has three thermodynamic stable structures and the stability of the system was found to increases with Ir concentration. This is consistent with the results predicted in the literature for the most stable and ductile system, Fe48.00Al50Pd0.2 [15] . As a result, the ultimate objective behind this research is to use the 0.2 concentration as a benchmark to predict new stable structures with increased ductility.…”
Β2-ordered FeAl and Fe3Al composition amongst other various compounds of transition metals and aluminium compositions have been of significance to researchers for application in industries for steel-IT coating purposes due to their well-adherent protective oxide layer that forms on the surface of such alloys at the metal/gas interface. We employed Cluster expansion (CE) technique to predict meta-stable and stable compositions of Fe1-XPd/IrXAl ternary. A Cluster Expansion phase diagram was predicted, with five stable Fe1-XPdXAl structures and three stable Fe1-XIrXAl structures having the lowest formation energies, respectively. Employed a first-principles approach to predict the mechanical properties, with four and two Pd and Ir ternary doped ductile structures and DMol3 technique to determine temperature dependence dynamical properties, that is, the binding energy of Fe50Al50, FePdAl2 and FeIrAl2 at various temperatures. Our findings showed that doping on FeAl with Pd and Ir significantly enhanced the binding energy that more energy would be required to disassemble the particles of the Ir system into individual parts; the hardness and ductility of the material for high-temperature application component coating for steel-IT superior protection.
“…Furthermore, it was observed that the Fe1-XIrXAl system has three thermodynamic stable structures and the stability of the system was found to increases with Ir concentration. This is consistent with the results predicted in the literature for the most stable and ductile system, Fe48.00Al50Pd0.2 [15] . As a result, the ultimate objective behind this research is to use the 0.2 concentration as a benchmark to predict new stable structures with increased ductility.…”
Β2-ordered FeAl and Fe3Al composition amongst other various compounds of transition metals and aluminium compositions have been of significance to researchers for application in industries for steel-IT coating purposes due to their well-adherent protective oxide layer that forms on the surface of such alloys at the metal/gas interface. We employed Cluster expansion (CE) technique to predict meta-stable and stable compositions of Fe1-XPd/IrXAl ternary. A Cluster Expansion phase diagram was predicted, with five stable Fe1-XPdXAl structures and three stable Fe1-XIrXAl structures having the lowest formation energies, respectively. Employed a first-principles approach to predict the mechanical properties, with four and two Pd and Ir ternary doped ductile structures and DMol3 technique to determine temperature dependence dynamical properties, that is, the binding energy of Fe50Al50, FePdAl2 and FeIrAl2 at various temperatures. Our findings showed that doping on FeAl with Pd and Ir significantly enhanced the binding energy that more energy would be required to disassemble the particles of the Ir system into individual parts; the hardness and ductility of the material for high-temperature application component coating for steel-IT superior protection.
“…Other examples are FeAl or Fe 3 Al intermetallics, which are used in strongly oxidizing or sulphidizing environments in combination with high temperatures [1][2][3][4]. Intermetallic compounds based on Fe-Al are considered to be very promising materials for industrial applications due to their low cost and high specific strength combined with excellent creep resistance, as well as their oxidation resistance at high temperatures [2,5,6].…”
Fe-Al-Si alloys have been recently developed in order to obtain excellent high-temperature mechanical properties and oxidation resistance. However, their production by conventional metallurgical processes is problematic. In this work, an innovative processing method, based on ultra-high energy mechanical alloying, has been tested for the preparation of these alloys. It has been found that the powders of low-silicon alloys (up to 10 wt. %) consist of FeAl phase supersaturated by Si after mechanical alloying. Fe2Al5 phase forms as a transient phase at the initial stage of mechanical alloying. The alloy containing 20 wt. % of Si and 20 wt. % of Al is composed mostly of iron silicides (Fe3Si and FeSi) and FeAl ordered phase. Thermal stability of the mechanically alloyed powders was studied in order to predict the sintering behavior during possible compaction via spark plasma sintering or other methods. The formation of Fe2Al5 phase and Fe3Si or Fe2Al3Si3 phases was detected after annealing depending on the alloy composition. It implies that the powders after mechanical alloying are in a metastable state; therefore, chemical reactions can be expected in the powders during sintering.
“…The addition of precious metals such as Pd, Ru and Pt can further increase the corrosion resistance of metals and alloys, including alloys systems such as Fe-Al and stainless steels (Mwamba, Cornish and van der Lingen, 2014;Couperthwaite, 2015;Olubambi, Potgieter and Cornish, 2009), but at increasing cost.…”
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