Table 13.
The comprehensive analysis of the materials used in the study
| Property/Characteristic | Ti Metal | Ti–Al-2 V Alloy | Zirconia |
|---|---|---|---|
| Crystal Structure | Simple Hexagonal (Space Group: P63/MMC) | Simple Triclinic (Space Group: P1) | Simple Cubic (Space Group: FM-3 M) |
| Atomic Arrangement | Ti atoms at simple cubic corner lattice points; hexagonal lattice in the basal plane | Ti atoms at simple cubic corner lattice points, Al atoms at center, V atoms between Ti atoms along c-axis | Zn atoms at simple cubic corner lattice points, forming connections with O atoms |
| Electronic Band Structure | Complete bandgap; Stable electronic structure with well-organized arrangement | Complete bandgap; Presence of imaginary frequencies indicates instability | Complete bandgap; Wider energy range suggests potential complex phonon structure |
| Dynamic Stability | Dynamically stable with absence of imaginary frequencies within specified energy range | Presence of imaginary frequencies indicating instability | Presence of imaginary frequencies indicating potential instability |
| Fermi Surface | Well-defined, nearly complete drum-shaped Fermi surface indicating good mechanical stability and interatomic bonding | - | - |
| Stiffness Matrix | Diagonal: 198.14 GPa, Off-diagonal: - | Diagonal: 331.70–331.93 GPa, Off-diagonal: -0.0064 to -0.00605 | Diagonal: 131.13 GPa, Off-diagonal: Relatively High |
| Average Properties | Bulk Modulus: 101–104 GPa, Young's Modulus: 64–88 GPa, Shear Modulus: 23–32 GPa, Poisson's Ratio: 0.358–0.394 | Bulk Modulus: Higher, Young's Modulus: Higher, Shear Modulus: Higher, Poisson's Ratio: Similar Range | Bulk Modulus: Relatively High, Young's Modulus: High, Shear Modulus: Relatively High, Poisson's Ratio: Limited Lateral Deformation |
| Eigenvalues | Eigenvalues: 13.485 GPa, 26.969 GPa, 44.526 GPa (Stiffness in Different Directions) | Eigenvalues: 131.13 GPa (Identical in Principal Directions), 605.72 GPa, 892.33 GPa (Other Directions) | Eigenvalues: 131.13 GPa (Isotropic in Principal Directions), 605.72 GPa, 892.33 GPa (Other Directions) |
| Elastic Moduli Variations | Young's Modulus Range: 64–88 GPa, Linear Compressibility: Range, Shear Modulus Range: 23–32 GPa, Poisson's Ratio Range: 0.358–0.394 | Young's Modulus Range: 171.42 GPa to 313.59 GPa, Linear Compressibility: Constant, Shear Modulus Range: 57.122 GPa to 144.26 GPa, Poisson's Ratio Range: 0.059882 to 0.50054 | Young's Modulus Range: 342.99 GPa to 678.35 GPa, Linear Compressibility: Constant, Shear Modulus Range: 131.13 GPa to 302.86 GPa, Poisson's Ratio Range: 0.069175 to 0.49224 |