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Short positron lifetime at vacancies observed in electron-irradiated tungsten: Experiments and first-principles calculations
Journal of Nuclear Materials ( IF 3.1 ) Pub Date : 2020-08-29 , DOI: 10.1016/j.jnucmat.2020.152473
A. Yabuuchi , M. Tanaka , A. Kinomura

A positron lifetime component of ∼ 170 ps has been reported for irradiated tungsten (W) in some studies. This value is considerably shorter than that calculated for isolated monovacancies ( ∼ 200 ps). In this study, positron annihilation lifetime spectroscopy was used to investigate the recovery behavior of the defects with a short positron lifetime of ∼ 170 ps in electron-irradiated W. The binding energies and positron lifetimes of vacancy-impurity complexes decorated with impurity atoms were calculated. A positron lifetime of 169 ps, which was similar to the experimentally observed lifetime of 171 ± 1 ps, was calculated for defect complexes comprising a monovacancy decorated with two hydrogen atoms (V-2H complexes). In addition, a value of 1.42 eV was calculated for the dissociation energy of a hydrogen atom from the V-H and V-2H complexes, and the defects with a positron lifetime of ∼ 170 ps were experimentally observed to migrate at 623 K. These were consistent with previously reported dissociation energy and desorption temperature of deuterium from vacancies in W studied by thermal desorption spectroscopy. These results suggested that the vacancies observed in the electron-irradiated W were hydrogen-decorated V-nH complexes.



中文翻译:

电子辐照的钨在空位时的正电子寿命短:实验和第一性原理计算

在一些研究中,据报道辐照钨(W)的正电子寿命约为170 ps。该值比孤立的单空位(〜200 ps)所计算的值要短得多。在这项研究中,正电子an没寿命谱用于研究电子辐照的W中约170 ps的短正电子寿命的缺陷的恢复行为。计算了用杂质原子修饰的空位-杂质配合物的结合能和正电子寿命。 。169个皮秒,这是类似于171个±1 PS实验观察到的寿命的正电子寿命,计算对于包括单空位装饰有两个氢原子缺陷复合物(V-2H配合物)。此外,计算得出氢原子从V -H和V -2H配合物中的解离能值为1.42 eV ,实验观察到正电子寿命约为170 ps的缺陷在623 K处迁移。与先前报道的通过热解吸光谱法研究的W中空位的氘的解离能和解吸温度一致。这些结果表明,在电子辐照的W中观察到的空位是氢修饰的V - nH配合物。

更新日期:2020-08-29
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