Energetics and diffusional properties of helium in W-Ta systems studied by a new ternary potential

Chen, Yangchun; Fang, Jingzhong; Liao, Xichuan; Gao, Ning; Hu, Wangyu; Zhou, Hong-Bo; Deng, Hui

doi:10.1016/j.jnucmat.2021.152913

Cited by 11 publications

(2 citation statements)

References 58 publications

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“…5(a), the interstitial He atoms have the lowest formation energy and are thus most stable in the interstitial sites in the W-Ta system. Also, it has been reported that the activation energy of He diffusion is higher in W-Ta solid-solutions than in W or W-Re systems [76,77]. Based on these results, it is reasonable to conclude that implanted He atoms are rather uniformly distributed with smaller cluster sizes in the W-Ta system (Fig.…”

Section: Discussionmentioning

confidence: 61%

Combinatorial Discovery of Irradiation Damage Tolerant Nano-structured W-based alloys

Jo¹,

Park²,

You³

et al. 2022

Preprint

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One of the challenges in fusion reactors is the discovery of plasma facing materials capable of withstanding extreme conditions, such as radiation damage and high heat flux. Development of fusion materials can be a daunting task since vast combinations of microstructures and compositions need to be explored, each of which requires trial-and-error based irradiation experiments and materials characterizations. Here, we utilize combinatorial experiments that allow rapid and systematic characterizations of composition-microstructure dependent irradiation damage behaviors of nanostructured tungsten alloys. The combinatorial materials library of W-Re-Ta alloys was synthesized, followed by the high-throughput experiments for probing irradiation damages to the mechanical, thermal, and structural properties of the alloys. This highly efficient technique allows rapid identification of composition ranges with excellent damage tolerance. We find that the distribution of implanted He clusters can be significantly altered by the addition of Ta and Re, which play a critical role in determining property changes upon irradiation.

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Section: Discussionmentioning

confidence: 61%

Combinatorial Discovery of Irradiation Damage Tolerant Nano-structured W-based alloys

Jo¹,

Park²,

You³

et al. 2022

Preprint

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“…The first six groups of interatomic potentials were taken from Chen et al [49,50] and Qiu et al [40], while the last four groups of interatomic potentials were fitted here. The specific form of the potential can refer to our previous work [40,[49][50][51][52], and some main formulas are given here. The total potential energy E of the system is expressed as…”

Section: Modelling and Methodsmentioning

confidence: 99%

Development of a semi-empirical interatomic potential appropriate for the radiation defects in V-Ti-Ta-Nb high-entropy alloy

Qiu¹,

Chen²,

Liao³

et al. 2022

J. Phys.: Condens. Matter

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High-entropy alloys (HEAs) hold promise as candidate structural materials in future nuclear energy systems. Body-centered cubic V-Ti-Ta-Nb HEAs have received extensive attention due to their excellent mechanical properties. In this work, the Finnis-Sinclair interatomic potential for quaternary V-Ti-Ta-Nb HEAs has been fitted based on the defect properties obtained with the density functional theory (DFT) calculations. The new potential for Nb accurately reproduces the vacancy formation energy, vacancy migration energy and interstitial formation energy. The typical radiation defect properties predicted by the alloy potential were consistent with the DFT results, including the binding energies between substitutional solute atoms, the binding energy between substitutional atoms and vacancies, and the formation energy of interstitial solute atoms. In addition, the mixing enthalpies of the alloys were also consistent with the DFT results. The present potential can also describe reasonably the cascade collision process of quaternary V-Ti-Ta-Nb HEAs.

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Equilibrium distribution and diffusion of mixed hydrogen-methane gas in gravity field

Peng,

He,

Peng

et al. 2024

Fuel

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Energetics and diffusional properties of helium in W-Ta systems studied by a new ternary potential

Cited by 11 publications

References 58 publications

Combinatorial Discovery of Irradiation Damage Tolerant Nano-structured W-based alloys

Combinatorial Discovery of Irradiation Damage Tolerant Nano-structured W-based alloys

Development of a semi-empirical interatomic potential appropriate for the radiation defects in V-Ti-Ta-Nb high-entropy alloy

Equilibrium distribution and diffusion of mixed hydrogen-methane gas in gravity field

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