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
In the present work,the precipitate compositions and precipitate amounts of these elements（including the size distribution,volume fraction,and inter-precipitate distance） on the Cu-containing 7000 series aluminum al...In the present work,the precipitate compositions and precipitate amounts of these elements（including the size distribution,volume fraction,and inter-precipitate distance） on the Cu-containing 7000 series aluminum alloys（7150 and 7085 Al alloys）,are investigated by anomalous small-angle x-ray scattering（ASAXS） at various energies.The scattering intensity of 7150 alloy with T6 aging treatment decreases as the incident x-ray energy approaches the Zn absorption edge from the lower energy side,while scattering intensity does not show a noticeable energy dependence near the Cu absorption edge.Similar results are observed in the 7085 alloy in an aging process（120℃） by employing in-situ ASAXS measurements,indicating that the precipitate compositions should include Zn element and should not be strongly related to Cu element at the early stage after 10 min.In the aging process,the precipitate particles with an initial average size of ~ 8 ？A increase with aging time at an energy of 9.60 ke V,while the increase with a slower rate is observed at an energy of 9.65 ke V as near the Zn absorption edge.展开更多
基金Project supported by the National Magnetic Confinement Fusion Program of China(Grant Nos.2014GB104003 and 2015GB105001)the National Natural Science Foundation of China(Grant No.51504033)
文摘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.
基金Project supported by the National Natural Science Foundation of China(Grant Nos.11005143,11405259,and 51274046)the Scientific Research Foundation for the Returned Overseas Chinese Scholars,State Education Ministry of China(Grant No.[2014]1685)
文摘In the present work,the precipitate compositions and precipitate amounts of these elements（including the size distribution,volume fraction,and inter-precipitate distance） on the Cu-containing 7000 series aluminum alloys（7150 and 7085 Al alloys）,are investigated by anomalous small-angle x-ray scattering（ASAXS） at various energies.The scattering intensity of 7150 alloy with T6 aging treatment decreases as the incident x-ray energy approaches the Zn absorption edge from the lower energy side,while scattering intensity does not show a noticeable energy dependence near the Cu absorption edge.Similar results are observed in the 7085 alloy in an aging process（120℃） by employing in-situ ASAXS measurements,indicating that the precipitate compositions should include Zn element and should not be strongly related to Cu element at the early stage after 10 min.In the aging process,the precipitate particles with an initial average size of ~ 8 ？A increase with aging time at an energy of 9.60 ke V,while the increase with a slower rate is observed at an energy of 9.65 ke V as near the Zn absorption edge.
