We have performed first-principles density functional theory calculations to investigate the retention and migration of hydrogen in Be₂₂ W, a stable low-W intermetallic compound. The solution energy of interstitial H in Be₂₂ 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 Be₂₂ W a potential beneficial secondary phase ... 

【文章來源】：Chinese Physics B. 2017,26(07)EISCI

【文章頁數(shù)】：6 頁


本文編號：3105856