In order to investigate the tritium behaviors in Hastelloy N alloy in molten salt reactor,first-principles calculations are used to study the interaction between hydrogen and Ad transition metal alloying atom in nicke...In order to investigate the tritium behaviors in Hastelloy N alloy in molten salt reactor,first-principles calculations are used to study the interaction between hydrogen and Ad transition metal alloying atom in nickelbased alloy.The interaction energies between Ad elements and H are calculated.Atomic size effects and electron distribution effects are analyzed.The hydrogen-4d interactions are compared with the hydrogen-3d interactions calculated in our previous work.展开更多
Adsorption and desorption of hydrogen on/from single-vacancy and double-vacancy graphenes were studied by means of first-principles calculations. The structure and stability of continuous hydrogenation in single vacan...Adsorption and desorption of hydrogen on/from single-vacancy and double-vacancy graphenes were studied by means of first-principles calculations. The structure and stability of continuous hydrogenation in single vacancy were investigated. Several new stable structures were found, along with their corresponding energy barriers. In double-vacancy graphene, the preferred sites of H atoms were identified, and H2 molecule desorption and adsorption of from/on were calculated from the energy barriers. This work provides a systematic and comprehensive understanding of hydrogen behavior on defected graphene.展开更多
In this study, concentrations of tritiated water(HTO) and non-exchangeable organically bound tritium(NE-OBT) and the NE-OBT/HTO ratios were determined in soil around Qinshan Nuclear Power Plant(NPP), Zhejiang, China, ...In this study, concentrations of tritiated water(HTO) and non-exchangeable organically bound tritium(NE-OBT) and the NE-OBT/HTO ratios were determined in soil around Qinshan Nuclear Power Plant(NPP), Zhejiang, China, and their vertical profile and spatial distribution were investigated. Results showed variations in both the HTO and NE-OBT concentrations in the vertical profile. The HTO concentrations generally decreased firstly and then increased with the increasing depths, but the trend was not significant. The NE-OBT concentrations in the surface soils(0–5 cm) were considerably lower than those in the deep soils(5–25 cm) at all the sites. The NE-OBT/HTO ratios also show a variable vertical profile, initially increasing and then decreasing with increasing soil depth.Both the HTO and NE-OBT concentrations decreased with the increasing distance to the HWRs in deep soil layers(5–25 cm), revealing that the released tritium from the NPP affected the spatial distribution.展开更多
基金supported by the "Strategic Priority Research Program" of the Chinese Academy of Sciences(No.XDA02020200)the National Natural Science Foundation of China(No.51601212)
文摘In order to investigate the tritium behaviors in Hastelloy N alloy in molten salt reactor,first-principles calculations are used to study the interaction between hydrogen and Ad transition metal alloying atom in nickelbased alloy.The interaction energies between Ad elements and H are calculated.Atomic size effects and electron distribution effects are analyzed.The hydrogen-4d interactions are compared with the hydrogen-3d interactions calculated in our previous work.
基金supported by the National Natural Science Foundation of China(Grant No.5160121211475082)‘‘Strategic Priority Research Program of Chinese Academy of Sciences’’ Thorium Molten Salts Reactor Fund
文摘Adsorption and desorption of hydrogen on/from single-vacancy and double-vacancy graphenes were studied by means of first-principles calculations. The structure and stability of continuous hydrogenation in single vacancy were investigated. Several new stable structures were found, along with their corresponding energy barriers. In double-vacancy graphene, the preferred sites of H atoms were identified, and H2 molecule desorption and adsorption of from/on were calculated from the energy barriers. This work provides a systematic and comprehensive understanding of hydrogen behavior on defected graphene.
文摘In this study, concentrations of tritiated water(HTO) and non-exchangeable organically bound tritium(NE-OBT) and the NE-OBT/HTO ratios were determined in soil around Qinshan Nuclear Power Plant(NPP), Zhejiang, China, and their vertical profile and spatial distribution were investigated. Results showed variations in both the HTO and NE-OBT concentrations in the vertical profile. The HTO concentrations generally decreased firstly and then increased with the increasing depths, but the trend was not significant. The NE-OBT concentrations in the surface soils(0–5 cm) were considerably lower than those in the deep soils(5–25 cm) at all the sites. The NE-OBT/HTO ratios also show a variable vertical profile, initially increasing and then decreasing with increasing soil depth.Both the HTO and NE-OBT concentrations decreased with the increasing distance to the HWRs in deep soil layers(5–25 cm), revealing that the released tritium from the NPP affected the spatial distribution.
