Research Article
Molecular Dynamics Study of Hydrogen in α-Zirconium
Table 1
Parameters used for elements Zr and H are the cohesive energy (eV), the equilibrium nearest-neighbor distance (Å), the exponential decay factor α for the universal energy function, the scaling factor for the embedding energy, the exponential decay factors for the atomic densities, the weighting factors for the partial electron densities, and the atomic density scaling .
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