Table 1 Bulk atomic volume vb and cohesive energy εb, elastic constants and shear modulus G=(C11−C12+3C44)/5 for the three materials/potentials used in the study
|  | vb (Å3) | εb (eV) | C11 (GPa) | C12 (GPa) | C44 (GPa) | G (GPa) |
|---|---|---|---|---|---|---|
Al | 16.243 | -3.336 | 116 | 61 | 30 | 29 |
Fe | 11.151 | -4.122 | 243 | 145 | 116 | 89 |
Si | 20.023 | -4.630 | 156 | 80 | 58 | 50 |