铈对铁中氦泡生长的阻碍作用
Impeding effect of cerium on the growth of helium bubble in iron
摘要：
我们的第一性原理密度泛函理论计算表明，在体心立方Fe中，稀土元素Ce对He的吸引力（-1.31eV）比He-He的吸引力（-1.18eV）强。因此，移动的He原子可以被钉扎到Ce上，从而减少了He团簇的合并。此外，我们发现，分离的Ce层在He气泡表面提出了一个能量势垒为0.33 eV的即将到来的He原子，从而减缓气泡的生长。
英文摘要：
Our first-principles density functional theory calculations suggest that the rare earth element, Ce, has a stronger attraction (-1.31eV) to He than He-He (-1.18eV) in bcc Fe. Consequently, the mobile He atoms could be pinned to Ce, and hence a reduced merging of He clusters. Moreover, we find that the segregated Ce layer at the He bubble surface presents an energy barrier of 0.33 eV to the upcoming He atom and thus slows down the bubble growth.
机构、总结、中文摘要均由AI分析而来，可能存在错误，请以论文正文为准。
