期刊文献+
共找到1篇文章
< 1 >
每页显示 20 50 100
Effects of the Be_(22)W phase formation on hydrogen retention and blistering in mixed Be/W systems
1
作者 曹金利 赫丙龄 +1 位作者 肖伟 王立根 《Chinese Physics B》 SCIE EI CAS CSCD 2017年第7期305-310,共6页
We have performed first-principles density functional theory calculations to investigate the retention and migration of hydrogen in Be_(22) W, a stable low-W intermetallic compound. The solution energy of interstiti... We have performed first-principles density functional theory calculations to investigate the retention and migration of hydrogen in Be_(22) W, a stable low-W intermetallic compound. The solution energy of interstitial H in Be_(22) W is found to be 0.49 eV lower, while the diffusion barrier, on the other hand, is higher by 0.13 eV compared to those in pure hcp-Be. The higher solubility and lower diffusivity for H atoms make Be_(22) W a potential beneficial secondary phase in hcp-Be to impede the accumulation of H atoms, and hence better resist H blistering. We also find that in Be_(22) W, the attraction between an interstitial H and a beryllium vacancy ranges from 0.34 eV to 1.08 eV, which indicates a weaker trapping for hydrogen than in pure Be. Our calculated results suggest that small size Be_(22) W particles in hcp-Be might serve as the hydrogen trapping centers, hinder hydrogen bubble growth, and improve the resistance to irradiation void swelling, just as dispersed oxide particles in steel do. 展开更多
关键词 FIRST-PRINCIPLES HYDROGEN be_(22)w
下载PDF
上一页 1 下一页 到第
使用帮助 返回顶部