Experimental and theoretical investigation of the damage evolution of irradiated MoAlB and WAlB MAB phases

Lattice dynamics, Raman and IR vibrations of stable Al/Si‐containing MAB phases: An ab initio and experimental study

“…The calculated Raman wavenumbers for the 222 phases are listed in Table 1, accompanied by their corresponding vibrational modes illustrated in Figure 3. For comparison, Table 1 also presents the experimental ones of MoAlB and WAlB, both of which boast ample experimental representations 13,61–63 . It is worth noting that these calculations tend to underestimate the Raman wavenumber slightly, always with the (relative) difference within 25 cm −1 (4%) in comparison to experimental ones, which indicates the high reliability of the present predictions by DFT simulations.…”

“…For comparison, Table 1 also presents the experimental ones of MoAlB and WAlB, both of which boast ample experimental representations. 13,[61][62][63] It is worth noting that these calculations tend to underestimate the Raman wavenumber slightly, always with the (relative) difference within 25 cm −1 (4%) in comparison to experimental ones, which indicates the high reliability of the present predictions by DFT simulations. Evidently, the Raman atomic motion predominantly involves the vibration of M/A/B atoms along the three lattice axes (conventional cell), with the vibration direction for each atomic type alternating within the unit cell (Figure 3).…”

“…The ternary layered transition-metal carbides, nitrides and borides, [1][2][3] including the MAX phases 4,5 and MAB phases, [6][7][8] have garnered significant attention because of their potential high-temperature structural [9][10][11] and functional applications. [12][13][14][15] Due to their distinctive layered structure [16][17][18] and diverse elemental compositions, 5,19,20 these phases combine the desirable properties of ceramics, such as high hardness, 21 high moduli, and resistance to oxidation and radiation, 22 with the noteworthy characteristics of metals, such as high electrical and thermal conductivity, 23 excellent thermal shock resistance, 24 ease of processing, high fracture toughness, and remark-able damage tolerance. 21 Moreover, the discovery of their two-dimensional derivatives, namely MXenes [25][26][27] and MBenes, 7,28,29 has unveiled new possibilities in terms of applications like electromagnetic shielding, 30 seawater desalination, 31 and enhancement of Raman signals.…”

“…51,50 Nevertheless, despite some progress, the investigation of lattice vibrations in MAB phases is still in its infancy. While MoAlB and WAlB have been examined using Raman spectroscopy, 13 the specific vibrational modes corresponding to their Raman peaks have not been thoroughly studied. Additionally, comprehensive insights into the lattice dynamics of other MAB phases, such as Fe 2 AlB 2 with its magnetothermal effect, are notably lacking.…”

Study on the Infrared and Raman spectra of Ti3AlB2, Zr3AlB2, Hf3AlB2, and Ta3AlB2 by first-principles calculations

“…These materials possess unique properties such as a nano-layered structure, diverse chemical bond types, high hardness, high elastic modulus, high conductivity, high thermal conductivity, and good resistance to high-temperature oxidation, making them highly suitable for various applications 8 – 11 . They can be used to manufacture high-temperature furnaces, aerospace spacecraft components, automotive engine components, nuclear reactor materials, and in other fields 12 – 15 . In addition, it's worth mentioning that the good thermal conductivity exhibited by MAB phase materials makes them highly suitable for the manufacturing of products like electronic components and radiators 4 , 16 .…”