Time domain dynamic analysis of inclined dam-reservoir-foundation interaction was conducted using finite difference method （FDM）. The Timoshenko beam theory and the Euler-Bemoulli beam theory were implemented to dra...Time domain dynamic analysis of inclined dam-reservoir-foundation interaction was conducted using finite difference method （FDM）. The Timoshenko beam theory and the Euler-Bemoulli beam theory were implemented to draw out governing equation of beam. The interactions between the dam and the soil were modeled by using a translational spring and a rotational spring. A Sommerfeld＇s radiation condition at the infinity boundary of the fluid domain was adopted. The effects of the reservoir bottom absorption and surface waves on the dam-reservoir-foundation interaction due to the earthquake were studied. To avoid the instability of solution, a semi-implicit scheme was used for the discretization of the governing equation of dam and an explicit scheme was used for the discretization of the governing equation of fluid. The results show that as the slope of upstream dam increases, the hydrodynamic pressure on the dam is reduced. Moreover, when the Timoshenko beam theory is used, the system response increases.展开更多
The electronic structure and optical properties of VO2 and Au-VO2 were studied using density functional theory. The calculation results show that the interaction between Au and O is stronger than that between V and O....The electronic structure and optical properties of VO2 and Au-VO2 were studied using density functional theory. The calculation results show that the interaction between Au and O is stronger than that between V and O. There exists not only the covalent bonding but also ionic bonding in Au--O bond. The band gap of Au-VO2 is smaller than that of VO〉 while the dielectric constant, conductivity, and intensity of optical absorption of Au-VO2 are larger than those of VO2.展开更多
The surface states of pyrite(Fe S2) were theoretically investigated using first principle calculation based on the density functional theory(DFT). The results indicate that both the(200) and(311) surfaces of pyrite un...The surface states of pyrite(Fe S2) were theoretically investigated using first principle calculation based on the density functional theory(DFT). The results indicate that both the(200) and(311) surfaces of pyrite undergo significant surface atom relaxation after geometry optimization, which results in a considerable distortion of the surface region. In the normal direction, i.e., perpendicular to the surface, S atoms in the first surface layer move outward from the bulk, while Fe atoms move toward the bulk, forming an S-rich surface. The surface relaxation processes are driven by electrostatic interaction, which is evidenced by a relative decrease in the surface energy after surface relaxation. Such a relaxation process is visually interpreted through the qualitative analysis of molecular mechanics. Atomic force microscopy(AFM) analysis reveals that only sulfur atom is visible on the pyrite surface. This result is consistent with the DFT data. Such S-rich surface has important influence on the flotation properties of pyrite.展开更多
文摘Time domain dynamic analysis of inclined dam-reservoir-foundation interaction was conducted using finite difference method （FDM）. The Timoshenko beam theory and the Euler-Bemoulli beam theory were implemented to draw out governing equation of beam. The interactions between the dam and the soil were modeled by using a translational spring and a rotational spring. A Sommerfeld＇s radiation condition at the infinity boundary of the fluid domain was adopted. The effects of the reservoir bottom absorption and surface waves on the dam-reservoir-foundation interaction due to the earthquake were studied. To avoid the instability of solution, a semi-implicit scheme was used for the discretization of the governing equation of dam and an explicit scheme was used for the discretization of the governing equation of fluid. The results show that as the slope of upstream dam increases, the hydrodynamic pressure on the dam is reduced. Moreover, when the Timoshenko beam theory is used, the system response increases.
基金Project(2014GXNSFAA118342)supported by Guangxi Natural Science Foundation,ChinaProject supported by Open Foundation of Guangxi Key Laboratory for Advanced Materials and Manufacturing Technology,ChinaProject supported by High-level Innovation Team and Outstanding Scholar Program in Guangxi Colleges(the second batch),China
文摘The electronic structure and optical properties of VO2 and Au-VO2 were studied using density functional theory. The calculation results show that the interaction between Au and O is stronger than that between V and O. There exists not only the covalent bonding but also ionic bonding in Au--O bond. The band gap of Au-VO2 is smaller than that of VO〉 while the dielectric constant, conductivity, and intensity of optical absorption of Au-VO2 are larger than those of VO2.
基金Project(51464029)supported by the National Natural Science Foundation of ChinaProject(2014M562343)supported by China Postdoctoral Science FoundationProject(KKSY201421110)supported by the Scholar Development Project of Yunnan Province,China
文摘The surface states of pyrite(Fe S2) were theoretically investigated using first principle calculation based on the density functional theory(DFT). The results indicate that both the(200) and(311) surfaces of pyrite undergo significant surface atom relaxation after geometry optimization, which results in a considerable distortion of the surface region. In the normal direction, i.e., perpendicular to the surface, S atoms in the first surface layer move outward from the bulk, while Fe atoms move toward the bulk, forming an S-rich surface. The surface relaxation processes are driven by electrostatic interaction, which is evidenced by a relative decrease in the surface energy after surface relaxation. Such a relaxation process is visually interpreted through the qualitative analysis of molecular mechanics. Atomic force microscopy(AFM) analysis reveals that only sulfur atom is visible on the pyrite surface. This result is consistent with the DFT data. Such S-rich surface has important influence on the flotation properties of pyrite.
