Atomistic insights of a chemical complexity effect on the irradiation resistance of high entropy alloys

Qian, Lingyun; Bao, Honggang; Li, Rui; Peng, Qing

doi:10.1039/d1ma01184g

Cited by 19 publications

(6 citation statements)

References 48 publications

(76 reference statements)

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“…It is also shown by Zhao that most interstitial dumbbells are along the [110] direction 43 , which in BCC systems, involves a sequence of rotational and translational jumps as described by Schilling 44 . Others related the high irradiation resistance of HEAs to lattice distortion and sluggish diffusion effects 45 or the difficulty of defect clustering 46 . Using electronic structure calculations as implemented in VASP code, formation, and migration energies of He were computed in the W-Ta-Cr-V system 23 .…”

Section: Discussionmentioning

confidence: 99%

A quinary WTaCrVHf nanocrystalline refractory high-entropy alloy withholding extreme irradiation environments

El-Atwani

Tunes

et al. 2023

Nat Commun

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In the quest of new materials that can withstand severe irradiation and mechanical extremes for advanced applications (e.g. fission & fusion reactors, space applications, etc.), design, prediction and control of advanced materials beyond current material designs become paramount. Here, through a combined experimental and simulation methodology, we design a nanocrystalline refractory high entropy alloy (RHEA) system. Compositions assessed under extreme environments and in situ electron-microscopy reveal both high thermal stability and radiation resistance. We observe grain refinement under heavy ion irradiation and resistance to dual-beam irradiation and helium implantation in the form of low defect generation and evolution, as well as no detectable grain growth. The experimental and modeling results—showing a good agreement—can be applied to design and rapidly assess other alloys subjected to extreme environmental conditions.

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Section: Discussionmentioning

confidence: 99%

A quinary WTaCrVHf nanocrystalline refractory high-entropy alloy withholding extreme irradiation environments

El-Atwani

Tunes

et al. 2023

Nat Commun

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“…This indicates a high density and low mobility of radiation defects (especially helium vacancy clusters) in the NiCoFeCrMn HEA. It is known that the HEAs of NiCoFeCrMn after irradiation are characterized by a lower radiation swelling and damage, the absence of radiation-induced segregation, a higher density of dislocation loops and distortion of the solid solution lattice compared to the HEAs of NiCoFeCr [ 40 , 52 , 53 , 54 , 55 , 56 ].…”

Section: Resultsmentioning

confidence: 99%

Composition and Structure of NiCoFeCr and NiCoFeCrMn High-Entropy Alloys Irradiated by Helium Ions

et al. 2023

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High-entropy alloys (HEAs) have prospects for use as nuclear structural materials. Helium irradiation can form bubbles deteriorating the structure of structural materials. The structure and composition of NiCoFeCr and NiCoFeCrMn HEAs formed by arc melting and irradiated with low-energy 40 keV He2+ ions and a fluence of 2 × 1017 cm−2 have been studied. Helium irradiation of two HEAs does not change the elemental and phase composition, and does not erode the surface. Irradiation of NiCoFeCr and NiCoFeCrMn with a fluence of 5 × 1016 cm−2 forms compressive stresses (−90 … −160 MPa) and the stresses grow over −650 MPa as fluence increases to 2 × 1017 cm−2. Compressive microstresses grow up to 2.7 GPa at a fluence of 5 × 1016 cm−2, and up to 6.8 GPa at 2 × 1017 cm−2. The dislocation density rises by a factor of 5–12 for a fluence of 5 × 1016 cm−2, and by 30–60 for a fluence of 2 × 1017 cm−2. Stresses and dislocation density in the HEAs change the most in the region of the maximal damage dose. NiCoFeCrMn has higher macro- and microstresses, dislocation density, and a larger increase in their values, with an increasing helium ion fluence compared to NiCoFeCr. NiCoFeCrMn a showed higher radiation resistance compared to NiCoFeCr.

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“…A higher defect recombination rate has been observed in the NiCoCrFe system compared to elemental Ni. 45 , 46 This is induced by enhanced thermal spike, lower thermal conductivity, and smaller binding energy of interstitials, which affects the cascade evolution and suppresses the damage accumulation. 46 , 47 Nickel segregation happens at the early stages of radiation damage in Co-, Fe-, Cr-, and Ni-containing systems.…”

Section: Atomistic Calculationsmentioning

confidence: 99%

Recent advances in computational design of structural multi-principal element alloys

Anand,

Liu,

Singh

2023

iScience

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Atomistic insights of a chemical complexity effect on the irradiation resistance of high entropy alloys

Abstract: High irradiation tolerance is a key feature required for designing the nuclear structure materials for the next generation reactors, where high entropy alloys and equiatomic multicomponent single-phase alloys are good...

Cited by 19 publications

References 48 publications

A quinary WTaCrVHf nanocrystalline refractory high-entropy alloy withholding extreme irradiation environments

A quinary WTaCrVHf nanocrystalline refractory high-entropy alloy withholding extreme irradiation environments

Composition and Structure of NiCoFeCr and NiCoFeCrMn High-Entropy Alloys Irradiated by Helium Ions

Recent advances in computational design of structural multi-principal element alloys

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