Molecular Dynamics Study of Hydrogen in α-Zirconium

Table 5

Calculated activation energies (kcal/mol) of hydrogen in zirconium using EAM and MEAM potentials, in comparison with experimental data.

	Method	Activation energy (kcal/mol)
Makowitz [9]	Experiments	1.6 to 6.5
Johnston et al. [10]	Experiments	6.4
Kearns [7]	Experiments	10.83
Sawatzky [8]	Experiments	3.8 to 6.1
EAM	Present	11.302
Hydrogen in Nickel [16]	Ab-initio-(EAM)	11.618