Hydrogen solubility in Zr–Nb alloys

Tuli, Vidur; Claisse, Antoine; Burr, Patrick A.

doi:10.1016/j.scriptamat.2022.114652

Cited by 10 publications

(5 citation statements)

References 54 publications

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“…Within the SPP, an increase in hydrogen levels compared to the surrounding matrix was observed (Figure 1). This is consistent with modelling work, which indicates that Nb-rich SPPs should act as weak hydrogen sinks in zirconium [4], [5]. However, uncertainties remain in determining whether this observation is truly representative of increased hydrogen content within the SPP after service, or if the apparent increase is due to artefacts that are inherent to APT and affect the characterisation of hydrogen [2,3].…”

supporting

confidence: 87%

Preliminary Atom Probe Tomography Evidence for Hydrogen Trapping at a β-Nb Second Phase Particle in a Neutron-irradiated Zirconium Alloy

Jenkins

Haley²,

Meier³

et al. 2022

Microscopy and Microanalysis

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supporting

confidence: 87%

Preliminary Atom Probe Tomography Evidence for Hydrogen Trapping at a β-Nb Second Phase Particle in a Neutron-irradiated Zirconium Alloy

Jenkins

Haley²,

Meier³

et al. 2022

Microscopy and Microanalysis

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“…Before investigating the interaction between

and

, it is necessary to firstly study the stability of H impurity atoms, which is also of great interest to many nuclear materials [ 36 , 52 , 53 ]. Their stability is assessed by hydrogen solution energy.…”

Section: Resultsmentioning

confidence: 99%

“…However, the presence of H can drastically reduce the ductility and cause the plastic deformation of U and U-Zr alloys, even at low solubility [ 17 , 35 ]. Furthermore, it was also found that H solubility can be enhanced in Zr alloys under irradiation [ 36 ]. This might be deleterious to the material’s performance.…”

Section: Introductionmentioning

confidence: 99%

Point Defects Stability, Hydrogen Diffusion, Electronic Structure, and Mechanical Properties of Defected Equiatomic γ(U,Zr) from First-Principles

Huang

Ma²,

Lai³

et al. 2022

Materials

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At present, many experimental fast reactors have adopted alloy nuclear fuels, for example, U-Zr alloy fuels. During the neutron irradiation process, vacancies and hydrogen (H) impurity atoms can both exist in U-Zr alloy fuels. Here, first-principles density functional theory (DFT) is employed to study the behaviors of vacancies and H atoms in disordered-γ(U,Zr) as well as their impacts on the electronic structure and mechanical properties. The formation energy of vacancies and hydrogen solution energy are calculated. The effect of vacancies on the migration barrier of hydrogen atoms is revealed. The effect of vacancies and hydrogen atom on densities of states and elastic constants are also presented. The results illustrate that U vacancy is easier to be formed than Zr vacancy. The H interstitial prefers the tetrahedral site. Besides, U vacancy shows H-trap ability and can raise the H migration barrier. Almost all the defects lead to decreases in electrical conductivity and bulk modulus. It is also found that the main effect of defects is on the U-5f orbitals. This work provides a theoretical understanding of the effect of defects on the electronic and mechanical properties of U-Zr alloys, which is an essential step toward tailoring their performance.

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“…Nanoscale multilayers enhance the physical and chemical attributes of materials, such as resistance to corrosion, scratching, radiation, and electrical conductivity. They also improve tensile strength, toughness, and other critical characteristics, making them highly versatile across different industries [1,2]. Nanoscale multilayer coatings (NMCs) used in nuclear and space technology applications may undergo hydrogen-induced processes that alter their microstructure and cause embrittlement [3][4][5][6][7][8].…”

Section: Introductionmentioning

confidence: 99%

“…According to Vidur et al's thermodynamic model, hydrogen preferentially accumulates in the β-Zr phase of zirconium-niobium alloys, resulting in the decomposition of the substable β-Zr phase and the redistribution of hydrogen to adjacent Zr and Nb interfaces [1]. It is worth noting that for coatings with substantial single-layer thicknesses (50-100 nm), the structural distribution of the coating remains unchanged even if the surface is directly exposed to protons.…”

Section: Introductionmentioning

confidence: 99%

Hydrogen-Induced Microstructure Changes in Zr/Nb Nanoscale Multilayer Structures

Laptev,

Stepanova,

Lomygin

et al. 2024

Metals

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Zr/Nb nanoscale multilayer coatings (NMCs) were studied after hydrogenation in a gaseous environment at 400 °C. The hydrogen distribution and content were determined by pressure and hydrogenation time. Increasing the pressure from 0.2 to 2 MPa resulted in different hydrogen distribution within the Zr/Nb NMCs, while the concentration remained constant at 0.0150 ± 0.0015 wt. %. The hydrogen concentration increased from 0.0165 ± 0.001 to 0.0370 ± 0.0015 wt. % when the hydrogenation time was extended from 1 to 7 h. The δ-ZrH hydride phase was formed in the Zr layers with Zr crystals reorienting towards the [100] direction. The Nb(110) diffraction reflex shifted towards smaller angles and the interplanar distance in the niobium layers increased, indicating significant lateral compressive stresses. Despite an increase in pressure, the nanohardness and Young’s modulus of the Zr/Nb NMCs remained stable. Increasing the hydrogen concentration to 0.0370 ± 0.0015 wt. % resulted in a 40% increase in nanohardness. At this concentration, the relative values of the Doppler broadening variable energy positron annihilation spectroscopy (S/S0) increased above the initial level, indicating an increase in excess free volume due to hydrogen-induced defects and changes. However, the predominant positron capture center remained intact. The Zr/Nb NMCs with hydrogen content ranging from 0.0150 ± 0.0015 to 0.0180 ± 0.001 wt. % exhibited a decrease in the free volume probed by positrons, as demonstrated by the Doppler broadening variable energy positron annihilation spectroscopy. This was evidenced by opposite changes in S and W (S↓W↑). The microstructural changes are attributed to defect annihilation during hydrogen accumulation near interfaces with the formation of hydrogen–vacancy clusters and hydrides.

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Hydrogen solubility in Zr–Nb alloys

Cited by 10 publications

References 54 publications

Preliminary Atom Probe Tomography Evidence for Hydrogen Trapping at a β-Nb Second Phase Particle in a Neutron-irradiated Zirconium Alloy

Preliminary Atom Probe Tomography Evidence for Hydrogen Trapping at a β-Nb Second Phase Particle in a Neutron-irradiated Zirconium Alloy

Point Defects Stability, Hydrogen Diffusion, Electronic Structure, and Mechanical Properties of Defected Equiatomic γ(U,Zr) from First-Principles

Hydrogen-Induced Microstructure Changes in Zr/Nb Nanoscale Multilayer Structures

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