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

doi:10.1088/1674-1056/ad0146

Abstract The primary radiation damage in pure V and TiVTa concentrated solid-solution alloy (CSA) was studied using a molecular dynamics method. We have performed displacement cascade simulations to explore the generation and evolution behavior of irradiation defects. The results demonstrate that 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 that in pure V due to the lower formation energy of point defects. Meanwhile, the longer lifetime of the thermal spike 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 due 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 that in pure V. The reduction in 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 irradiation-induced defects evolution in refractory CSAs.

Keywords: concentrated solid-solution alloy primary radiation damage molecular dynamics simulation

Received: 28 July 2023
Revised: 22 September 2023
Accepted manuscript online: 09 October 2023

PACS:	61.72.J-	(Point defects and defect clusters)
	02.70.Ns	(Molecular dynamics and particle methods)
	61.82.Bg	(Metals and alloys)

Fund: Project supported by the Dean’s Fund of China Institute of Atomic Energy (Grant No. 219256) and the CNNC Science Fund for Talented Young Scholars.

Corresponding Authors: Yan-Kun Dou, Xin-Fu He
E-mail: douyankun@cnncmail.cn;hexinfu@cnncmail.cn

Cite this article:

Yong-Peng Zhao(赵永鹏), Yan-Kun Dou(豆艳坤), Xin-Fu He(贺新福), Han Cao(曹晗),Lin-Feng Wang(王林枫), Hui-Qiu Deng(邓辉球), and Wen Yang(杨文) Molecular dynamics study of primary radiation damage in TiVTa concentrated solid-solution alloy 2024 Chin. Phys. B 33 036104

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

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