Molecular Dynamics Study of Hydrogen in α-Zirconium

Table 2

Calculated lattice parameters (Å) and cohesive energy (eV) for zirconium, in comparison with experimental data.

Parameters	MEAM	EAM	Experimental values
	3.216	3.234	3.232 [16], 3.233 [15], 3.231 [12]
	5.191	5.167	5.182 [16], 5.149 [15], 5.148 [12]
	1.614	1.597	1.603 [16], 1.593 [12]
Cohesive energy	−4.647	−6.634	−6.32 [16], −6.36 [12]