Irradiation resistance mechanism of the CoCrFeMnNi equiatomic high-entropy alloy

Xu, Qiu; Guan, Huaqing; Zhong, Zhihong; Huang, Shaosong; Zhao, Jijun

doi:10.1038/s41598-020-79775-0

Cited by 41 publications

(21 citation statements)

References 30 publications

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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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“…It was found that the average binding energy of tri-vacancy in HEA is negative while tetra-vacancy binding energy is positive. Therefore, the instability of trivacancy or negative binding energy is responsible for the irradiation (ions or neutrons) resistance [84]. The irradiation induced defects in NiCoCrFe HEA were studied through MD simulations of modelled displacement cascades.…”

Section: Electromagnetic Wave Shielding Materialsmentioning

confidence: 99%

Emergence of machine learning in the development of high entropy alloy and their prospects in advanced engineering applications

Katiyar

Goel

2021

emergent mater.

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The high entropy alloys have become the most intensely researched materials in recent times. They offer the flexibility to choose a large array of metallic elements in the periodic table, a combination of which produces distinctive desirable properties that are not possible to be obtained by the pristine metals. Over the past decade, a myriad of publications has inundated the aspects of materials synthesis concerning HEA. Hitherto, the practice of HEA development has largely relied on a trial-and-error basis, and the hassles associate with this effort can be reduced by adopting a machine learning approach. This way, the “right first time” approach can be adopted to deterministically predict the right combination and composition of metallic elements to obtain the desired functional properties. This article reviews the latest advances in adopting machine learning approaches to predict and develop newer compositions of high entropy alloys. The review concludes by highlighting the newer applications areas that this accelerated development has enabled such that the HEA coatings can now potentially be used in several areas ranging from catalytic materials, electromagnetic shield protection and many other structural applications.

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“…At high temperatures, vacancy properties are known to control RMEA performance such as the irradiation resistance, phase stability and creep deformation [ 26 , 27 , 28 , 29 ]. Thus, gaining a detailed understanding of vacancy energetics is a first important step to quantify the parameters that govern mass transport properties in these alloys.…”

Section: Introductionmentioning

confidence: 99%

Vacancy Energetics and Diffusivities in the Equiatomic Multielement Nb-Mo-Ta-W Alloy

Zhou

Marian

2022

Materials

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In this work, we study vacancy energetics in the equiatomic Nb-Mo-Ta-W alloy, especially vacancy formation and migration energies, using molecular statics calculations based on a spectral neighbor analysis potential specifically developed for Nb-Mo-Ta-W. We consider vacancy properties in bulk environments as well as near edge dislocation cores, including the effect of short-range order (SRO) by preparing supercells through Metropolis Monte-Carlo relaxations and temperature on the calculation. The nudged elastic band (NEB) method is applied to study vacancy migration energies. Our results show that both vacancy formation energies and vacancy migration energies are statistically distributed with a wide spread, on the order of 1.0 eV in some cases, and display a noticeable dependence on SRO. We find that, in some cases, vacancies can form with very low energies at edge dislocation cores, from which we hypothesize the formation of stable `superjogs’ on edge dislocation lines. Moreover, the large spread in vacancy formation energies results in an asymmetric thermal sampling of the formation energy distribution towards lower values. This gives rise to effective vacancy formation energies that are noticeably lower than the distribution averages. We study the effect that this phenomenon has on the vacancy diffusivity in the alloy and discuss the implications of our findings on the structural features of Nb-Mo-Ta-W.

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Irradiation resistance mechanism of the CoCrFeMnNi equiatomic high-entropy alloy

Cited by 41 publications

References 30 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

Emergence of machine learning in the development of high entropy alloy and their prospects in advanced engineering applications

Vacancy Energetics and Diffusivities in the Equiatomic Multielement Nb-Mo-Ta-W Alloy

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