First-principles studying the properties of oxygen in vanadium: Thermodynamics and tensile/shear behavior

Gui, Li-Jiang; Liu, Yuelin

doi:10.1016/j.cocom.2016.04.001

Cited by 9 publications

(4 citation statements)

References 43 publications

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“…Experiments show large amounts of vacancy-X (X = C, O, N) complexes in vanadium solids and its alloys [15], which significantly influence the properties of the materials. Thus, many DFT calculations have been carried out to investigate the energetic and migration behaviors of these impurities and complexes in vanadium and its alloys [66][67][68][69]. occurs at a quite high temperature.…”

Section: C O and N In Vanadiummentioning

confidence: 99%

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A review of solute-point defect interactions in vanadium and its alloys: first-principles modeling and simulation

Zhao

Zou

et al. 2021

Tungsten

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Vanadium alloys are the promising first wall and blanket materials for fusion reactors. Large amounts of helium (He) and hydrogen (H) impurities are produced inside the materials along with irradiation defects under neutron irradiation, leading to bubble formation and microstructure changes, which will degrade the thermal and mechanical properties of vanadium alloys. The microstructure changes of materials are influenced by the interactions of point defects with solute atoms. Nowadays, first-principles calculations are intensively performed to elucidate these interactions, clustering, and dissolution, which can provide valuable information for the design of high-performance anti-irradiation materials. This paper reviews the recent findings of the interactions of point defects (vacancies, self-interstitial atoms) with substitutional solutes and interstitial solutes (C, O, N, H, and He) as well as their clusters in vanadium and its alloys from first-principles calculations.

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Section: C O and N In Vanadiummentioning

confidence: 99%

“…[66]b DFT results (VASP-PW91-GGA) from Ref [70]. c DFT results (VASP-PW91-GGA) from Ref [68]. d DFT results (VASP-PBE-GGA) from Ref [69].…”

mentioning

confidence: 99%

A review of solute-point defect interactions in vanadium and its alloys: first-principles modeling and simulation

Zhao

Zou

et al. 2021

Tungsten

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“…Although the CMWP procedure can also provide the density of planar defects in the present case we did not use this option because the V-5Cr-5Ti alloy has a high stacking fault energy and no twinning was observed under quasi-static deformation conditions [34]. Typical CMWP evaluated diffraction patterns are shown in Fig.…”

Section: Evaluation Of the X-ray Diffraction Experimentsmentioning

confidence: 99%

The Microstructure and strength of a V–5Cr–5Ti alloy processed by high pressure torsion

Zhao

Jóni

Ribárik

et al. 2019

Materials Science and Engineering: A

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The microstructure and the strength of high pressure torsion processed V-5Cr-5Ti alloy are investigated by X-ray line profile analysis and microhardness testing. High pressure torsion has been applied at 4 and 8 GPa with 0.25, 0.5, 1, 2, 4 and 8 rotations. The X-ray beam of the high angular resolution diffractometer, dedicated for line profile analysis, has a footprint of about 200 m1.5 mm on the specimen. The diffraction patterns have been measured in the center, at half radius and close to the edge of the specimens. This technique has provided a large number of data of the microstructure and hardness as a function of strain up to about 300. The dislocation density determined by X-ray line broadening is correlated and discussed in terms of the strength of the alloy using the Taylor equation.

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“…Although the CMWP procedure can also provide the density of planar defects in the present case we did not use this option because the V-5Cr-5Ti alloy has a high stacking fault energy and no twinning was observed under quasi-static deformation conditions (Gui et al, 2016). Typical CMWP evaluated diffraction patterns are shown in Fig.…”

Section: Evaluation Of the X-ray Diffraction Experimentsmentioning

confidence: 99%

Microstructure of nuclear structural materials, Zr and V-5Cr-5Ti, determined by X-ray line profile analysis

Zhi-jian¹

2019

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First-principles studying the properties of oxygen in vanadium: Thermodynamics and tensile/shear behavior

Cited by 9 publications

References 43 publications

A review of solute-point defect interactions in vanadium and its alloys: first-principles modeling and simulation

A review of solute-point defect interactions in vanadium and its alloys: first-principles modeling and simulation

The Microstructure and strength of a V–5Cr–5Ti alloy processed by high pressure torsion

Microstructure of nuclear structural materials, Zr and V-5Cr-5Ti, determined by X-ray line profile analysis

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