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Atomistic Modeling of Void Growth and Coalescence in Ni+H

  • B.P. Somerday (a1), P.D. Pattillo (a2), M.F. Horstemeyer (a1) and M.I. Baskes (a3)

Abstract

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.

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