A first-principles study on the hydrogen trap characteristics of coherent nano-precipitates in α-Fe

Ma, Yuan; Shi, Yufang; Wang, Heyuan; Mi, Zhishan; Liu, Zugang; Gao, Lei; Yan, Yu; Su, Yanjing; Li, Qiao

doi:10.1016/j.ijhydene.2020.07.123

Cited by 53 publications

(15 citation statements)

References 33 publications

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“…Due to the existing difficulty in reasonably constructing the intrinsically non-periodical structure of the incoherent interface, we cannot calculate the solution energies of C/S vacancies on the precipitate surface. Though, our previous studies on coherent interfaces between α-Fe and other precipitates (VC, TiN, NbC) suggest that the solution energies of non-metallic element vacancies on the interface are considerably lower than those inside the bulk precipitate 17 . Moreover, extensive theoretical works suggest that carbon vacancies on the surface of alloy carbide precipitates are deep hydrogen traps 17 , 45 , 49 , and reducing the amount of surface carbon vacancies may lower their hydrogen trapping energy 45 .…”

Section: Discussionmentioning

confidence: 80%

“…Though, our previous studies on coherent interfaces between α-Fe and other precipitates (VC, TiN, NbC) suggest that the solution energies of non-metallic element vacancies on the interface are considerably lower than those inside the bulk precipitate 17 . Moreover, extensive theoretical works suggest that carbon vacancies on the surface of alloy carbide precipitates are deep hydrogen traps 17 , 45 , 49 , and reducing the amount of surface carbon vacancies may lower their hydrogen trapping energy 45 . As such, the C and/or S vacancies on the surface of precipitate #2 are deemed to impart a better hydrogen trapping capability than the surface of precipitate #3.…”

Section: Discussionmentioning

confidence: 80%

“…For instance, to trap hydrogen from concentrating at vulnerable locations and hence mitigate hydrogen embrittlement, precipitates in steels could be designed with non-stoichiometry and/or desirable strain fields in the surrounding matrix. In fact, this may have been realized in literatures reporting the positive roles of elastic-strain field 17 , 20 , interfacial dislocations 47 , and vacancies 45 around the coherent or semi-coherent precipitates in lowering the hydrogen embrittlement sensitivity of steels. With the advancement of SKPFM resolution 44 , the experimental methods as demonstrated here may enable direct investigation on much smaller precipitates.…”

Section: Discussionmentioning

confidence: 86%

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Atomic-scale insights on hydrogen trapping and exclusion at incoherent interfaces of nanoprecipitates in martensitic steels

Zhang

Zhu

et al. 2022

Nat Commun

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Hydrogen is well known to embrittle high-strength steels and impair their corrosion resistance. One of the most attractive methods to mitigate hydrogen embrittlement employs nanoprecipitates, which are widely used for strengthening, to trap and diffuse hydrogen from enriching at vulnerable locations within the materials. However, the atomic origin of hydrogen-trapping remains elusive, especially in incoherent nanoprecipitates. Here, by combining in-situ scanning Kelvin probe force microscopy and aberration-corrected transmission electron microscopy, we unveil distinct scenarios of hydrogen-precipitate interaction in a high-strength low-alloyed martensitic steel. It is found that not all incoherent interfaces are trapping hydrogen; some may even exclude hydrogen. Atomic-scale structural and chemical features of the very interfaces suggest that carbon/sulfur vacancies on the precipitate surface and tensile strain fields in the nearby matrix likely determine the hydrogen-trapping characteristics of the interface. These findings provide fundamental insights that may lead to a better coupling of precipitation-strengthening strategy with hydrogen-insensitive designs.

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Section: Discussionmentioning

confidence: 80%

Section: Discussionmentioning

confidence: 80%

Section: Discussionmentioning

confidence: 86%

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Atomic-scale insights on hydrogen trapping and exclusion at incoherent interfaces of nanoprecipitates in martensitic steels

Zhang

Zhu

et al. 2022

Nat Commun

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“…Different coherence relationships between MC nanoprecipitates and matrix lead to different hydrogen trapping sites. The hydrogen trapping sites at the coherent, semicoherent and incoherent nanoprecipitates interface are at the interfacial tetrahedral gap positions, interfacial carbon vacancies/misfit dislocations and internal carbon vacancies, respectively (Ma et al , 2020; Wei and Tsuzaki, 2006; Wei et al , 2011). Stefano et al (2016) investigated the binding energies of hydrogen trapping sites at different interfaces in TiC nanoprecipitates by first principles calculation.…”

Section: Influencing Factors Of Metal Carbide Precipitatesmentioning

confidence: 99%

Review of metal carbide nanoprecipitate effects on hydrogen embrittlement of high strength martensitic steel

Zheng

Sun

Yan

et al. 2022

ACMM

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Purpose High-strength martensitic steels having strong hydrogen embrittlement (HE) susceptibility and the metal carbide (MC) nanoprecipitates of microalloying elements such as Nb, V, Ti and Mo in the steel matrix can effectively improve the HE resistance of steels. This paper aims to review the effect of MC nanoprecipitates on the HE resistance of high-strength martensitic steels. Design/methodology/approach In this paper, the effects of MC nanoprecipitates on the HE resistance of high-strength martensitic steels are systematically described in terms of the types of MC nanoprecipitates, the influencing factors, along with numerical simulations. Findings The MC nanoprecipitates, which are fine and semicoherent with the matrix, effectively improve the HE resistance of steel through the hydrogen trapping effects and microstructure optimization, but its effect on the HE resistance of steel is controlled by its size, number and distribution state. Originality/value This paper summarizes the effects and mechanisms of MC nanoprecipitates on HE performance of high-strength martensitic steel and provides the theoretical basis for corrosion engineers to design high-strength martensitic steels with excellent HE resistance and improve production processes.

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“…The Consumption & Use phase demonstrates the need for longer lasting steel forgings (by means such as nitriding), with respect to predominant material failure phenomena, such as fatigue and hydrogen embrittlement. [ 2–4 ] The inset graph captures the relationship between Charpy V‐notch Impact Energy (J) and Yield Strength (YS) at room temperature for various hot‐forgings (adapted from ref. [5]).…”

Section: Introductionmentioning

confidence: 99%

On the Influence of Vanadium on Air‐Hardening Medium Manganese Steels for Sustainable Forging Products

Gramlich

Middleton²,

Schmidt³

et al. 2021

steel research int.

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A new alloy for drive‐train applications with a significant addition of vanadium is presented. The influence of vanadium addition to air‐hardening forging steels is investigated and discussed. For the investigations, a laboratory melt is casted and forged into a rod. The mechanical properties and the microstructure of the new alloy are described and compared with a vanadium‐free reference alloy from a previous study. The forged component shows high strength and hardness in the as‐forged state (YS: 892 MPa, UTS: 1366 MPa, hardness: 430 HV30) distributed equally over the full cross‐section. In addition, the strength does not decrease during subsequent heat treatments enabling the application as a material for surface treatments such as nitriding or plasma nitriding. Although strength, ductility, and hardness change as expected with increasing tempering, toughness acts different than in vanadium‐free alloys during intercritical annealing which hints at the interaction of vanadium with the fracture mechanism.

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A first-principles study on the hydrogen trap characteristics of coherent nano-precipitates in α-Fe

Cited by 53 publications

References 33 publications

Atomic-scale insights on hydrogen trapping and exclusion at incoherent interfaces of nanoprecipitates in martensitic steels

Atomic-scale insights on hydrogen trapping and exclusion at incoherent interfaces of nanoprecipitates in martensitic steels

Review of metal carbide nanoprecipitate effects on hydrogen embrittlement of high strength martensitic steel

On the Influence of Vanadium on Air‐Hardening Medium Manganese Steels for Sustainable Forging Products

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