30 keV He+ 辐照 W–0.5% ZrC 合金中位错环的演变：原位 TEM 观察和分子动力学模拟,ACS Applied Energy Materials

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30 keV He+ 辐照 W–0.5% ZrC 合金中位错环的演变：原位 TEM 观察和分子动力学模拟
ACS Applied Energy Materials ( IF 5.4 ) Pub Date : 2022-02-02 , DOI: 10.1021/acsaem.1c03915
Xinyi Liu _{1,

2} , Zhe Chen ₃ , Hao Wang ₃ , Yipeng Li _{1,

2} , Zhuoming Xie ₄ , Xiang Liu ₃ , Guang Ran _{1,

2}

Affiliation

^{30 keV He +}原位辐照已经在 823 和 1073 K 对 W-0.5 wt% ZrC 进行了测试。详细表征表明，尺寸范围为 ~120-370 nm 的 ZrC 颗粒周围的位错环密度较低，并且比远离这些颗粒的位置小. ZrC 颗粒尺寸越大，密度越低，颗粒周围的位错环尺寸越小。相比之下，在尺寸范围为~20-60 nm 的 ZrC 颗粒周围显示了更高密度的具有较大尺寸的位错环。首次通过分子动力学模拟原位观察和研究了⟨100⟩位错线和⟨100⟩位错环之间的相互作用。与平行几何结构相比，与正交 Burgers 矢量反应的 ⟨100⟩ 位错更可能是相互作用的原因。这种相互作用需要产生易滑的 1/2⟨111⟩ 位错片段，它充当反应后的固着位错之间的“中间桥梁”。目前的结果将有助于深入了解 W-ZrC 合金作为面向等离子体材料的聚变反应堆应用的辐照行为。

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Evolution of Dislocation Loops in 30 keV He+-Irradiated W–0.5% ZrC Alloys: In Situ TEM Observations and Molecular Dynamics Simulations

In situ irradiations with 30 keV He⁺ have been performed on W–0.5 wt % ZrC at 823 and 1073 K. Detailed characterization showed that the dislocation loops around the ZrC particles with the size range of ∼120–370 nm were lower in density and smaller than that far away from these particles. The larger the sizes of ZrC particles, the lower the density and smaller the sizes of dislocation loops around the particles would be. In contrast, the higher density of dislocation loops with larger sizes around the ZrC particles with the size range of ∼20–60 nm was displayed. The interaction between a ⟨100⟩ dislocation line and a ⟨100⟩ dislocation loop was in situ observed and investigated by molecular dynamics simulation for the first time. The reacted ⟨100⟩ dislocations with the orthogonal Burgers vectors are more likely to be responsible for the interaction than that with the parallel geometry. The interaction required the generation of glissile 1/2⟨111⟩ dislocation segments, which acted as an “intermediate bridge” between the reacted sessile dislocations. The current results will be of benefit to deeply understand the irradiation behavior of the W–ZrC alloy acting as the plasma-facing materials for the application of fusion reactors.

更新日期：2022-02-02

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