A comprehensive study for microstructure and properties of Mo₂TiAlC₂ MAX phase: Linking first-principle simulation and experimental approach

In this paper, the MAX Mo₂TiAlC₂ bulk, a new layered ternary carbide with excellent mechanical properties, was synthesized via hot-pressing sintering. The phase and microstructure of MAX Mo₂TiAlC₂ were revealed with respect to the effects of different soaking durations by means of X-ray diffraction patterns and scanning electron microscopy. Moreover, its unique layered structure was disclosed by means of high-resolution transmission electron microscopy. The compressive strength, flexural strength and fracture toughness of MAX Mo₂TiAlC₂ with different soaking durations were measured by means of compression tests and three-point bending tests. The spectacular mechanical properties in different directions caused by the lamellar structure and the unique atomic bonding were discussed by combining the first-principles calculations with the fracture morphology.