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Description
Iron aluminide is a metal alloy that possesses unique properties, including high strength and temperature resistance, making it suitable for applications in the aerospace and energy sectors. Previous studies show that the intermetallic compound FeAl is far more ductile at room temperature, with a melting point of 1473 K, limiting its use to intermediate temperature applications. Due to their capacity to create protective aluminium oxide layers, they combine low density and strong thermal conductivity with great oxidation resistance at high temperatures. Thermodynamic properties as a function of temperature were determined for the FeAl system doped with Pt. Focusing on the time-step, lattice expansion, and Gibbs free energies (∆G). The effect of temperature on the β2 FeAl and ternary Fe1-XPtXAl systems were investigated using the LAMMPS code to determine the lattice expansion and Gibbs free energies, while DMol3 was used to evaluate the binding energies. The mechanical properties were used to quantify the stability of these systems above 873 K. We considered systems that are stable and ductile ranging between 100 K – 3000 K. The FePtAl2 phase demonstrated that the lattice expanded exponentially with increasing temperature at 900 K. Among the predicted ternary Fe1-XPtXAl phases, FeAgAl2 and (FePt2Al3)2 showed spontaneous reaction, confirmed by a negative ∆G signifying thermodynamic stability. The Fe3PtAl4 system, which shows a decrease in c/a, indicates relatively greater expansion along the a-axis relative to the c-axis.
These systems indicate capacity to design well-adherent material for component coating in steel-IT for superior protection.
| Apply for student award at which level: | PhD |
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