Effect of chemical short-range order on primary radiation damage in TiVTaNb high-entropy alloys

doi:10.1088/1674-1056/adf0e5

Abstract Molecular dynamics simulations were carried out to study the effect of chemical short-range order (CSRO) on the primary radiation damage in TiVTaNb high-entropy alloys (HEAs). We have performed displacement cascade simulations to explore the CSRO effect on the generation and evolution behaviors of irradiation defects. The results demonstrate that CSRO can suppress the formation of Frenkel pairs in TiVTaNb HEAs, with the suppression effect becoming more pronounced as the degree of CSRO increases. CSRO can change the types of interstitial defects generated during cascade collisions. Specifically, as the degree of CSRO increases, the proportion of Ti-related interstitials shows a marked enhancement, primarily evidenced by a significant rise in Ti-Ti dumbbells accompanied by a corresponding decrease in Ti-V dumbbells. CSRO exhibits negligible influence on defect clustering and the nucleation and evolution of dislocation loops. Regardless of CSRO conditions, TiVTaNb HEAs preserve exceptional radiation tolerance throughout the cascade damage process, suggesting that the intrinsic properties of this multi-principal element system dominate its radiation response. These findings provide fundamental insights into the CSRO effect on defect formation and evolution behaviors in HEAs, which may provide new design strategies for high-entropy alloys.

Keywords: high-entropy alloy chemical short-range order primary radiation damage molecular dynamics simulation

Received: 07 May 2025
Revised: 14 July 2025
Accepted manuscript online: 17 July 2025

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 Youth Program of the National Natural Science Foundation of China (Grant No. 12405324), the CNNC Science Fund for Talented Young Scholars (Grant No. 24940), and the CNNC Basic Science Fund (Grant No. 24851).

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Yong-Peng Zhao(赵永鹏), Yu-Ze Liu(刘禹泽), Yan-Kun Dou(豆艳坤), Zhong-Ao Zhang(张忠傲), Xin-Fu He(贺新福), and Wen Yang(杨文) Effect of chemical short-range order on primary radiation damage in TiVTaNb high-entropy alloys 2026 Chin. Phys. B 35 026101

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Effect of chemical short-range order on primary radiation damage in TiVTaNb high-entropy alloys

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