Hydrogen effects on nanovoid nucleation in face-centered cubic single-crystals

Chandler, Mei Qiang; Horstemeyer, M.F.; Baskes, M. I.; Gullett, P.M.; Wagner, Gregory J.; Jelinek, Bohumir

doi:10.1016/j.actamat.2007.09.012

Cited by 36 publications

(19 citation statements)

References 28 publications

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“…This presumption is supported by the results reported by other scholars [12][13][14]. During the discharge process, H atoms get out and the previously formed crystal nuclei may decompose and the alloy structure turns back to amorphous state.…”

Section: Discussionsupporting

confidence: 75%

A discussion on decay of discharge capacity for amorphous Mg–Ni–Nd hydrogen storage alloy

Liang¹,

Wu²,

Li³

et al. 2009

Journal of Power Sources

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Section: Discussionsupporting

confidence: 75%

A discussion on decay of discharge capacity for amorphous Mg–Ni–Nd hydrogen storage alloy

Liang¹,

Wu²,

Li³

et al. 2009

Journal of Power Sources

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“…(7). The reduction of the SFE by hydrogen has been demonstrated via both experiment and simulation [66,67].…”

Section: Hydrogen Effect On Dislocation and Twin Nucleationmentioning

confidence: 99%

Effect of hydrogen on nanomechanical properties in Fe-22Mn-0.6C TWIP steel revealed by in-situ electrochemical nanoindentation

Wang

Deng

et al. 2019

Acta Materialia

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“…Additional damping was applied using the LAMMPS NPT ''drag'' with a value of 50. [42] For the MC simulations, we used a procedure previously presented by Chandler et al, [37,38] which allows for small motions, vibrations of the H and Ni atoms, and the creation and removal of H atoms. The energies associated with the motions and creations during the MC used the same EAM potentials as that of the MD simulations.…”

Section: Modeling Approach: Corrosionmentioning

confidence: 99%

“…[1,[7][8][9] Fundamental issues in understanding H-enhanced dislocation mobility and dislocation nucleation are still a work in progress. In the past few decades, these fundamental issues have been studied theoretically using various modeling techniques such as quantum mechanics/first principal, [35] atomistic, [36][37][38][39] continuum phenomenological material models. [34] Different experimental techniques have also been employed to describe underlying mechanisms related to H solute interaction with material microstructure under various stresses and their subsequent effect on material engineering properties.…”

Section: Introductionmentioning

confidence: 99%

A Nanoscale Study of Dislocation Nucleation at the Crack Tip in the Nickel-Hydrogen System

Solanki

Ward

Bammann

2010

Metall Mater Trans A

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Strengthening and embrittlement are controlled by the interactions between dislocations and hydrogen (H)-induced defect structures that can inversely affect the deformation mechanisms in materials. Here we present a simulation framework to understand fundamental issues associated with H-assisted dislocation nucleation and mobility using Monte Carlo (MC) and molecular dynamics (MD). In order to study the interaction between H and dislocations and its effect on material failure, we extensively examined mode I loading of an edge crack using MD simulations. The MD calculations of the total structural energy in the nickel (Ni)-H system shows that H atoms prefer to occupy octahedral interstitial sites in the fcc Ni lattice. As H concentration is increased, the Young's modulus and the energy required to create free surface decreased, resulting in H-enhanced localized plasticity. The MD simulations also indicate that H not only facilitates dislocation emission from the crack tip but also enhances dislocation mobility, leading to softening of the material ahead of the crack tip. While the decrease in surface energy suggests H embrittlement, the increase in local plasticity induces crack blunting and prohibits crack propagation. The mechanisms responsible for transitioning from a ductile to brittle crack behavior clearly depend on the H concentration and its proximity to the crack tip. Enhanced plasticity will occur within a general field of H atoms that results in lower stacking fault and surface energies, yet H interstitials on preferential slip planes can inhibit dislocation nucleation.

show abstract

Hydrogen effects on nanovoid nucleation in face-centered cubic single-crystals

Cited by 36 publications

References 28 publications

A discussion on decay of discharge capacity for amorphous Mg–Ni–Nd hydrogen storage alloy

A discussion on decay of discharge capacity for amorphous Mg–Ni–Nd hydrogen storage alloy

Effect of hydrogen on nanomechanical properties in Fe-22Mn-0.6C TWIP steel revealed by in-situ electrochemical nanoindentation

A Nanoscale Study of Dislocation Nucleation at the Crack Tip in the Nickel-Hydrogen System

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