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中国物理学会期刊

α-铁中位移级联过程中缺陷的生成和He-空位复合物的形成

CSTR: 32037.14.aps.54.4857

Defect production and formation of helium-vacancy clusters in cascades of α-iron with different concentration of helium

CSTR: 32037.14.aps.54.4857
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  • 运用分子动力学方法研究了不同He浓度和不同级联能下含He的α-Fe低温时的位移级联过程.模拟的主要撞击原子(PKA)的能量(EP)(即级联能)从500eV变化到5keV,辐照温 度为100K,He的浓度从1%变化到5%.比较了不同He浓度下的Fe-He混合物和纯α-Fe的位移级 联过程,发现在含有He的α-Fe中总的Fe和He的Frenkel对与纯的α-Fe的Frenkel对的数目相 当.当He的浓度较低时,含有He的α-Fe中的Frenkel对比α-Fe的要低,随He的浓度增加,有 He的α-Fe中的Frenkel对比α-Fe中的高,这主要与He在金属中的性质有关.本研究证明了位 移级联过程可以直接导致He泡的成核.对不同级联能和不同He浓度下Fe的位移级联过程的模 拟,发现在同样的级联能下,随着He浓度的增加,He成团的几率增大;在同样的He浓度下, 随着级联能的增加,He成团的几率也同样增加,并分析了级联下He泡的形成机制.

     

    The low-temperature displacement cascades in α-Fe with different concentrations of substitutional He atoms are simulated by molecular dynamics (MD) methods. Primary knock-on atom (PKA) energy, Ep , from 500eV to 5keV is cons idered for irradiation temperature of 100K. The concentration of He in Fe varies from 1% to 5%. The results are compared with those obtained in pure α-Fe. We f ind the number of Frenkel pairs (NF) in Fe with low concentration of He atoms is nearly equal to those in pure Fe, but increases with increasing He c oncentration. The present study demonstrates for the first time that He-vacancy bubbles can be nucleated directly from displacement cascades, even at low tempe rature at which the vacancies are not mobile. However, the efficiency of He-vaca ncy clusters increases with increasing the concentration of He for the same ener gy recoils, and increases with increasing Ep for the same concentrati on of He. The mechanisms of He bubble nucleation in displacement cascades are di scussed in detail.

     

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