Research Article
Molecular Dynamics Study of Hydrogen in α-Zirconium
Table 4
Calculated Young’s modulus (GPa), bulk modulus (GPa), and Poisson’s ratio for zirconium, in comparison with experimental data.
| [Direction]
| EAM | MEAM | Experimental values [22] |
| Young’s modulus (GPa) | | | | 2 0, 0 1 0 | 93 | 74 | 98 | 0 0 0 1 | 117 | 135 | 125 | Poisson’s ratio | | | | 2 0, 0 1 0 | 0.33 | 0.37 | 0.32 | 0 0 0 1 | 0.34 | 0.28 | 0.30 | Bulk modulus (GPa) | 96.7 | 98.94 | 96.48 |
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