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Finite strain rate atomistic simulations were conducted on Ni and Ni+H lattices containing voids to better understand the dislocation-scale mechanisms of void growth and coalescence and how hydrogen affects these damage processes. Void growth is governed by dislocations that nucleate at the void surface to transport mass away from the void as well as dislocations arriving at the void from the lattice exterior to deposit vacancies and accommodate void-surface expansion. Hydrogen can retard void growth when large local hydrogen concentrations impede dislocation nucleation and propagation at the void surface. The formation of hydrogen gas molecules in the void interior does not necessarily aid void growth. Pressure in small voids may be mitigated by the mutual interaction of hydrogen molecules and the interaction of molecules with the void surface.
Almansi and Green strain tensors are developed for use in large deformation molecular dynamics/statics simulations that employ Embedded Atom Method (EAM) potentials for metals. The strain tensors are formulated with respect to the deformation gradient. A scalar potential function is used with a weighting function that is dependent upon a cutoff radius for the deformation gradient. For a homogeneous or inhomogeneous deformation, a cutoff distance of one lattice parameter can be used to approximate local strain level. Inhomogeneous deformation reveals different results for Almansi and Green strain tensors indicating that the small strain assumption cannot be used to determine large atomic strains.