Molecular dynamics simulations of displacement cascades in vanadium: Generation and types of dislocation loops

Qiu, Rongyang; Chen, Yangchun; Gao, Ning; He, Xinfu; Dou, Yajie; Yang, Wen; Hu, Wangyu; Deng, Hang

doi:10.1016/j.nme.2023.101394

Cited by 4 publications

(1 citation statement)

References 85 publications

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“…It is indicated that the re-duction in primary radiation damage may contribute to the irradiation resistance in TiVTa CSA. In addition, for pure V, point defects are more likely to form dislocation loops with Burgers vectors of (1/2) 111 rather than 100 , which is consistent with the calculated formation energies of dislocation loops, [46] while the formation preference of dislocation loops cannot be determined in TiVTa CSA. After cascade collisions, a few dislocation loops were observed in TiVTa CSA, including (1/2) 111 interstitial dislocation loops and 100 vacancy dislocation loops.…”

Section: Dislocation Loopssupporting

confidence: 81%

Molecular dynamics study of primary radiation damage in TiVTa concentrated solid-solution alloy

Zhao 赵,

Dou 豆,

He 贺

et al. 2024

Chinese Phys. B

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The primary radiation damage in pure V and TiVTa concentrated solid-solution alloy (CSA) was studied using molecular dynamics method. We have performed displacement cascade simulations to explore the generation and evolution behaviors of irradiation defects. The results demonstrate the defect accumulation and agglomeration in TiVTa CSA are significantly suppressed compared to pure V. The peak value of Frenkel pairs during cascade collisions in TiVTa CSA is much higher than in pure V due to the lower formation energy of point defects. While the longer lifetime of thermal spikes relaxation and slow energy dissipation capability of TiVTa CSA can facilitate the recombination of point defects. The defect agglomeration rate in TiVTa CSA is much lower owing to the lower binding energy of interstitial clusters and reduced interstitial diffusivity. Furthermore, the occurrence probability of dislocation loops in TiVTa CSA is lower than in pure V. The reduction of primary radiation damage may enhance the radiation resistance of TiVTa CSA, and the improved radiation tolerance is primarily attributed to the relaxation stage and long-term defect evolution rather than the ballistic stage. These results can provide fundamental insights into the irradiation-induced defects evolution in refractory CSAs.

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Section: Dislocation Loopssupporting

confidence: 81%

Molecular dynamics study of primary radiation damage in TiVTa concentrated solid-solution alloy

Zhao 赵,

Dou 豆,

He 贺

et al. 2024

Chinese Phys. B

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Nanostructure evolution and surface modification mechanism of Cr ion-implanted single-crystal iron: insights from molecular dynamics simulations

Zhu,

Shao,

Huang

et al. 2024

J Mater Sci

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Effect of Precipitates on Dislocation Loops in Vanadium Alloy After Irradiation with 60 keV Deuterium Ions at Room Temperature

Wang,

Chen,

Zhang

et al. 2024

Metals

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The effect of different precipitates and nanoparticles on the distribution of radiation-induced dislocation loops in V-4Cr-4Ti alloy and V-4Cr-4Ti-1.8Y-0.4Ti3SiC2 alloy were studied. Both alloys were irradiated with 60 keV deuterium, and the distribution of the dislocation loops was statistically analyzed using the transmission electron microscope (TEM) technique. The results indicated that platelet-like Ti(CNO) precipitates affect the dislocation distribution, in which a significantly reduced dislocation number density in the area within 20 nm of the interface was observed. This phenomenon is attributed to the strong compressive strain in the vertical interface direction at the precipitates/matrix interface. No significant effect on loop distribution was observed in the coherent TiC/matrix interface, which may result from the almost no strain interface. In addition, the uniform distribution of radiation-induced dislocation loops in equivalent crystal orientation was confirmed via the TEM images with multiple g vectors.

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Molecular dynamics simulations of displacement cascades in vanadium: Generation and types of dislocation loops

Cited by 4 publications

References 85 publications

Molecular dynamics study of primary radiation damage in TiVTa concentrated solid-solution alloy

Molecular dynamics study of primary radiation damage in TiVTa concentrated solid-solution alloy

Nanostructure evolution and surface modification mechanism of Cr ion-implanted single-crystal iron: insights from molecular dynamics simulations

Effect of Precipitates on Dislocation Loops in Vanadium Alloy After Irradiation with 60 keV Deuterium Ions at Room Temperature

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