Hydrogen induced dislocation core reconstruction in bcc tungsten

Li, Yu‐Hao; Zhou, Hongbo; Gao, Fei; Lü, Gang; Lü, Guang-Hong; Liu, Feng

doi:10.1016/j.actamat.2022.117622

Cited by 21 publications

(5 citation statements)

References 74 publications

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“…As can be seen, these clusters did not show stabilisation of hard core even when the saturation is achieved locally. This contrasts with estimation of H [75] and C [26] segregation, which can be expected due to the much higher bulk content and lower temperatures of interest as well as higher binding energies of 2.1 eV for C vs 1.5 eV for He. Total binding energy estimation of the He interaction energy once trapped at dislocations shows slight repulsion of -0.12 eV for He 2 and -0.16 eV for He 3 clusters.…”

Section: Helium Segregation and Hardeningcontrasting

confidence: 79%

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Calculation of dislocation binding to helium-vacancy defects in tungsten using hybrid ab initio-machine learning methods

et al. 2023

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Section: Helium Segregation and Hardeningcontrasting

confidence: 79%

“…Segregation of H [74,75] and C [26] in W and in Fe [76,77] were investigated. In the case of W nominal concentrations were in the range of 10 -1000 appm and the models are valid only for saturated limit where the dislocation is fully reconstructed to a hard core configuration are considered.…”

Section: Helium Segregation and Hardeningmentioning

confidence: 99%

Calculation of dislocation binding to helium-vacancy defects in tungsten using hybrid ab initio-machine learning methods

et al. 2023

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“…In the present simulations, as mentioned, it stems from the relatively minimal changes in the extent of the interstitial atmosphere with c 0 over the dilute c 0 range studied here. These results are consistent to those from recent atomistic simulations of W-H, which also report that dislocation response depends on H concentration [77,78]. In this range of concentration, screw motion was observed to be close to that of the interstitial-free intrinsic critical stress [77], but edge motion was hindered by the cloud.…”

Section: Dislocation Glide Under a Driving Stresssupporting

confidence: 91%

“…In this range of concentration, screw motion was observed to be close to that of the interstitial-free intrinsic critical stress [77], but edge motion was hindered by the cloud. Another work showed that at low H concentrations, the H-cloud enhanced screw mobility [78].…”

Section: Dislocation Glide Under a Driving Stressmentioning

confidence: 99%

Role of diffusing interstitials on dislocation glide in refractory body centered cubic metals

Fey,

Hunter,

Beyerlein

2024

Modelling Simul. Mater. Sci. Eng.

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In this work, we employ a phase field dislocation dynamics technique to simulate dislocation motion in body centered cubic refractory metals with diffusing interstitials. Two distinct systems are treated, Nb with O interstitials and W with H interstitials, to consider both relatively small and large atomic size interstitials. Simulations without and with driving stress are designed to investigate the role of interstitial type and mobility on the glide of edge- and screw-character dislocations. The simulations reveal the various short- and long-range dislocation–interstitial interactions that can take place and their dependency on interstitial type, site occupation, stress state, and mobility of the interstitials relative to dislocations. We show that while interstitial O increases the breakaway stress for both screw and edge dislocations in Nb, interstitial H in low H concentrations makes screw dislocations easier and the edge dislocations harder to move. The simulations find that screw dislocation glide is enhanced by the presence of interstitials in both systems. Edge dislocation glide is enhanced in W-H and inhibited in Nb-O.

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“…Those results agree well with the Defactant concept, 35 where H lowers the defect formation energy, including vacancy, GB, and dislocation. Through DFT calculations, Li et al 669 found that H could induce dislocation core reconstruction in bcc tungsten: At low concentrations of H, dislocation maintains the intrinsic easy-core structure and H atoms enhance dislocation motion; while at high concentrations, dislocation transforms into a hard-core and H hinders the dislocation motion. With MD, Ding et al 670 found that H could have a dual role in the mobility of an edge dislocation array-type GB.…”

Section: H−dislocation Interactionsmentioning

confidence: 99%

Hydrogen Embrittlement as a Conspicuous Material Challenge─Comprehensive Review and Future Directions

Yu,

Díaz,

et al. 2024

Chem. Rev.

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Hydrogen is considered a clean and efficient energy carrier crucial for shaping the net-zero future. Large-scale production, transportation, storage, and use of green hydrogen are expected to be undertaken in the coming decades. As the smallest element in the universe, however, hydrogen can adsorb on, diffuse into, and interact with many metallic materials, degrading their mechanical properties. This multifaceted phenomenon is generically categorized as hydrogen embrittlement (HE). HE is one of the most complex material problems that arises as an outcome of the intricate interplay across specific spatial and temporal scales between the mechanical driving force and the material resistance fingerprinted by the microstructures and subsequently weakened by the presence of hydrogen. Based on recent developments in the field as well as our collective understanding, this Review is devoted to treating HE as a whole and providing a constructive and systematic discussion on hydrogen entry, diffusion, trapping, hydrogen–microstructure interaction mechanisms, and consequences of HE in steels, nickel alloys, and aluminum alloys used for energy transport and storage. HE in emerging material systems, such as high entropy alloys and additively manufactured materials, is also discussed. Priority has been particularly given to these less understood aspects. Combining perspectives of materials chemistry, materials science, mechanics, and artificial intelligence, this Review aspires to present a comprehensive and impartial viewpoint on the existing knowledge and conclude with our forecasts of various paths forward meant to fuel the exploration of future research regarding hydrogen-induced material challenges.

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Hydrogen induced dislocation core reconstruction in bcc tungsten

Cited by 21 publications

References 74 publications

Calculation of dislocation binding to helium-vacancy defects in tungsten using hybrid ab initio-machine learning methods

Calculation of dislocation binding to helium-vacancy defects in tungsten using hybrid ab initio-machine learning methods

Role of diffusing interstitials on dislocation glide in refractory body centered cubic metals

Hydrogen Embrittlement as a Conspicuous Material Challenge─Comprehensive Review and Future Directions

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