Zhao Yong-Peng; Dou Yan-Kun; He Xin-Fu; Yang Wen

doi:10.7498/aps.73.20241074

Abstract

Among the currently developed multi-principal element alloys (MPEAs), Ti-V-Ta MPEA stands out because of its good high-temperature strength, good room-temperature plasticity, stable organizational structure, and low neutron activation, and becomes a first option for cladding material of special power reactors. The radiation resistance of Ti-V-Ta MPEA is the focus of current research. Dislocation loops are the main irradiation defects in Ti-V-Ta MPEA, which can significantly affect the mechanical properties. Therefore, clarifying the formation mechanism of dislocation loops in Ti-V-Ta HEA can help to understand its radiation resistance. The formation behavior of dislocation loops in Ti-V-Ta MPEA is studied based on molecular dynamics method in this work. Cascade overlap simulations with vacancy clusters and interstitial clusters are carried out. The cascade overlap formation mechanism of dislocation loops is analyzed and discussed. In Ti-V-Ta MPEA, the cascade overlap with defect clusters can directly produce different types of dislocation structures. The defect configuration after cascade overlap is determined by the primary knock-on atom (PKA) energy and the type and size of the preset defect clusters. Cascade overlap can improve the formation probability of $ \left\langle {100} \right\rangle $ dislocation loops in Ti-V-Ta MPEA. Cascade overlap with vacancy clusters is an important mechanism for the formation of $ \left\langle {100} \right\rangle $ vacancy dislocation loops, and the size of vacancy clusters is the dominant factor for the formation of $ \left\langle {100} \right\rangle $ vacancy dislocation loops. When the PKA energy is enough to dissolve the defect clusters, $ \left\langle {100} \right\rangle $ vacancy dislocation loops are more likely to form. Furthermore, cascade overlap with interstitial clusters in Ti-V-Ta MPEA is a possible mechanism for the formation of $ \left\langle {100} \right\rangle $ interstitial dislocation loops. This study can contribute to understanding the evolution behavior of irradiation defects in Ti-V-Ta MPEA, and provide theoretical support for designing the composition and optimizing the high-entropy alloys.

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Authors and contacts

Corresponding author: Dou Yan-Kun, douyankun3@163.com

Funds: Project supported by the National Youth Natural Science Foundation of China (Grant No. 12405324), the Dean’s Fund of China Institute of Atomic Energy (Grant No. 219256), and the Director’s Fund of China Institute of Atomic Energy (Grant No. 218296).

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Vol. 73, Issue 22 - 2024-11-20

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