Hydrogen trapping of carbides during high temperature gaseous hydrogenation

Vandewalle, Liese; Depover, Tom; Verbeken, Kim

doi:10.1016/j.ijhydene.2023.04.348

Cited by 12 publications

(1 citation statement)

References 63 publications

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“…In addition, their equilibrium distances range from 1.204 Å to 1.810 Å, which were determined from their optimized structure as displayed in Figure 2. These calculated results align with earlier results reported in the literature [1,39,40].…”

Section: Hydrogen Interaction With Nbc Tic Vc and Mns Structuressupporting

confidence: 92%

Effect of Metal Carbides on Hydrogen Embrittlement: A Density Functional Theory Study

Faye,

Szpunar

2024

Hydrogen

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This study uses plane wave density functional theory (DFT) to investigate the effect of certain metal carbides (Niobium carbide, Vanadium carbide, Titanium carbide, and Manganese sulfide) on hydrogen embrittlement in pipeline steels. Our results predict that the interaction of hydrogen molecules with these metal carbides occurs in the long range with binding energy varying in the energy window [0.043 eV to 0.70 eV].In addition, our study shows the desorption of H2 molecules from these metal carbides in the chemisorptions. Since atomic state hydrogen interacts with NbC, VC, TiC, and MnS to cause embrittlement, we classified the strength of the hydrogen trapping as TiC + H > VC + H > NbC + H> MnS + H. In addition, our study reveals that the carbon site is a more favorable hydrogen-trapping site than the metal one.

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Section: Hydrogen Interaction With Nbc Tic Vc and Mns Structuressupporting

confidence: 92%

Effect of Metal Carbides on Hydrogen Embrittlement: A Density Functional Theory Study

Faye,

Szpunar

2024

Hydrogen

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Hydrogen trapping and embrittlement of titanium- and vanadium carbide-containing steels after high-temperature hydrogen charging

Boot,

Suresh Kumar,

Eswara

et al. 2024

J Mater Sci

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This work studies the effect of TiC and VC precipitate sizes on hydrogen trapping and embrittlement. Two experimental ferritic HSLA steels containing either TiC or VC carbides for precipitation strengthening are annealed in nitrogen and hydrogen gas. This results in a hydrogen uptake of up to 0.91 and 0.44 wppm in the TiC and VC steels, respectively. TEM and TDS analysis indicate that semi-coherent TiC particles trap hydrogen in misfit dislocations with an activation energy of 43 kJ/mol. Coherent VC particles are suggested to trap hydrogen in interface carbon vacancies, with an energy between 53 and 72 kJ/mol. Carbon vacancies are the likely trapping site in incoherent precipitates, where SIMS imaging confirms that incoherent TiC precipitates trap preferentially near the interface, whereas incoherent VC precipitates trap throughout their bulk. Neither alloy is embrittled in SSRT tests after hydrogen absorption, which shows that these precipitates can be used as both a hydrogen sink and a strengthening mechanism in steels. Graphical abstract

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Effect of plasma ion nitriding on hydrogen embrittlement and wear resistance of martensitic stainless steel for hydrogen valve core of fuel cell electric vehicles

Shin,

Hwang,

Kim

2024

Engineering Fracture Mechanics

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Hydrogen trapping of carbides during high temperature gaseous hydrogenation

Cited by 12 publications

References 63 publications

Effect of Metal Carbides on Hydrogen Embrittlement: A Density Functional Theory Study

Effect of Metal Carbides on Hydrogen Embrittlement: A Density Functional Theory Study

Hydrogen trapping and embrittlement of titanium- and vanadium carbide-containing steels after high-temperature hydrogen charging

Effect of plasma ion nitriding on hydrogen embrittlement and wear resistance of martensitic stainless steel for hydrogen valve core of fuel cell electric vehicles

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