Electronic structures and optical properties of single-layer In1-xGaxN are studied by employing Heyd-Scuseria-Ernzerh(HSE) method based on the first-principles. The band structure and density of states(DOS) of sin...Electronic structures and optical properties of single-layer In1-xGaxN are studied by employing Heyd-Scuseria-Ernzerh(HSE) method based on the first-principles. The band structure and density of states(DOS) of single-layer In1-xGaxN are calculated, and the band gap ranges from 1.8 eV to 3.8 eV as the ratio x changes, illustrating the potential for the tunability of band gap values via Ga doped. We also have investigated optical properties of single-layer In1-xGaxN such as dielectric function, refractive index and absorption coefficient, the main peak of dielectric function spectrum and the absorption edge are found to have a remarkable blue-shift as the concentration of Ga increases. Furthermore, the optical properties of single-layer In1-xGaxN are analyzed based on the band structures and DOS analysis. Such unique optical properties have profound application in nanoelectronics and optical devices.展开更多
The propagation characteristics of flexural waves in periodic grid structures designed with the idea of phononic crystals are investigated by combining the Bloch theorem with the finite element method. This combined a...The propagation characteristics of flexural waves in periodic grid structures designed with the idea of phononic crystals are investigated by combining the Bloch theorem with the finite element method. This combined analysis yields phase constant surfaces, which predict the location and the extension of band gaps, as well as the directions and the regions of wave propagation at assigned frequencies. The predictions are validated by computation and experimental analysis of the harmonic responses of a finite structure with 11 × 11 unit cells. The flexural wave is localized at the point of excitation in band gaps, while the directional behaviour occurs at particular frequencies in pass bands. These studies provide guidelines to designing periodic structures for vibration attenuation.展开更多
The title compound [Cu(bix)2(NO3)z·H2P]n 1 (bix = 1,4-bis(imidazole-1-ylme-thyl) benzene) has been synthesized by hydrothermal method. Its crystal structure is of monoclinic, space group P1^- with a = 8.3...The title compound [Cu(bix)2(NO3)z·H2P]n 1 (bix = 1,4-bis(imidazole-1-ylme-thyl) benzene) has been synthesized by hydrothermal method. Its crystal structure is of monoclinic, space group P1^- with a = 8.3075(13), b = 9.4725(13), c = 10.0192(13) A, α = 91.088(4), β = 104.063(6), γ = 101.88(1), V = 746.5(3) A^3, Z = 1, C28H30N10O7Cu1, Mr = 682.16, Dc = 1.518 g/cm^3, μ = 0.796 mm^-1, F(000) = 353, the final R = 0.0535 and wR = 0.0996 for 2921 observed reflections with I 〉 2σ(I). Each bix ligand binds two Cu(Ⅱ) ions to form a 2-D(4,4) square grid layer, which is connected by hydrogen bonds showing large channels occupied by solvated water molecules and nitrate anions.展开更多
The herringbone water-sediment separation structure(HWSSS) was developed to prevent debris flows. This paper mainly focuses on evaluating the sediment separation efficiency of HWSSS in debris flow prevention and deter...The herringbone water-sediment separation structure(HWSSS) was developed to prevent debris flows. This paper mainly focuses on evaluating the sediment separation efficiency of HWSSS in debris flow prevention and determining the grid opening width D, a crucial structure parameter for HWSSS design. Theoretical analysis on the total sediment separation rate Pt reveals that the efficiency of sediment separation is much related with sediment grain size distribution(GSD) and grid opening width. The lower limit of Pt is deduced from the perspective of safety consideration by transforming debris flow into sediment-laden flow. Hydraulic model tests were carried out. Based on the regression analysis of the experimental data, the quantitative relationships between Pt and D and GSD characteristic values were finally established. A procedure for determining optimal grid opening width is proposed based on these analyses. These results are of significance in evaluating sediment separation effect by HWSSS in debris flow prevention and contribute to a more explicit methodology for design of HWSSS.展开更多
The reflection characteristics of gird structures are calculated by the spatial network method in the case of normal incidence plane electromagnetic wave. The numerical result shows that the grid panels without electr...The reflection characteristics of gird structures are calculated by the spatial network method in the case of normal incidence plane electromagnetic wave. The numerical result shows that the grid panels without electromagnetic wave absorbing foams are not ideal. However, the absorbing ability can be achieved as low as -25 dBsm from 8 GHz to 12 GHz when the grid cells are filled with foam absorbers. Also it is noted from computation that the foam filled grid structures with larger cell size, higher and thinner ribs will improve the absorbing abilities, which illustrates that they can be used as the effective light-weight stealth structures for aeronautical application.展开更多
This paper presents an improved unstructured grid immersed boundary method.The advantages of both immersed boundary method and body fitted grids which are generated by unstructured grid technology are used to enhance ...This paper presents an improved unstructured grid immersed boundary method.The advantages of both immersed boundary method and body fitted grids which are generated by unstructured grid technology are used to enhance the computation efficiency of fluid structure interaction in complex domain.The Navier-Stokes equation was discretized spacially with collocated finite volume method and Euler implicit method in time domain.The rigid body motion was simulated by immersed boundary method in which the fluid and rigid body interface interaction was dealt with VOS(volume of solid) method.A new VOS calculation method based on graph was presented in which both immersed boundary points and cross points were collected in arbitrary order to form a graph.The method is verified with flow past oscillating cylinder.展开更多
The section of electric power is the foundation of national economy. The paper analyzes the relation between industrial structure and grid load in Shanxi province, and finds out that electricity demand and grid load r...The section of electric power is the foundation of national economy. The paper analyzes the relation between industrial structure and grid load in Shanxi province, and finds out that electricity demand and grid load relate linearly to value added of industry. In the end, the paper predicts electricity demand and grid load via the model.展开更多
An overset grid methodology is developed for the fully coupled analysis of fluid-structure interaction (FSI) problems. The overset grid approach alleviates some of the computational geometry difficulties traditionally...An overset grid methodology is developed for the fully coupled analysis of fluid-structure interaction (FSI) problems. The overset grid approach alleviates some of the computational geometry difficulties traditionally associated with Arbitrary-Lagrangian-Eulerian (ALE) based, moving mesh methods for FSI. Our partitioned solution algorithm uses separate solvers for the fluid (finite volume method) and the structure (finite element method), with mesh motion computed only on a subset of component grids of our overset grid assembly. Our results indicate a significant reduction in computational cost for the mesh motion, and element quality is improved. Numerical studies of the benchmark test demonstrate the benefits of our overset mesh method over traditional approaches.展开更多
Based on the first-order upwind and second-order central type of finite volume (UFV and CFV) scheme, upwind and central type of perturbation finite volume (UPFV and CPFV) schemes of the Navier-Stokes equations were de...Based on the first-order upwind and second-order central type of finite volume (UFV and CFV) scheme, upwind and central type of perturbation finite volume (UPFV and CPFV) schemes of the Navier-Stokes equations were developed. In PFV method, the mass fluxes of across the cell faces of the control volume (CV) were expanded into power series of the grid spacing and the coefficients of the power series were determined by means of the conservation equation itself. The UPFV and CPFV scheme respectively uses the same nodes and expressions as those of the normal first-order upwind and second-order central scheme, which is apt to programming. The results of numerical experiments about the flow in a lid-driven cavity and the problem of transport of a scalar quantity in a known velocity field show that compared to the first-order UFV and second-order CFV schemes, upwind PFV scheme is higher accuracy and resolution, especially better robustness. The numerical computation to flow in a lid-driven cavity shows that the under-relaxation factor can be arbitrarily selected ranging from (0.3) to (0.8) and convergence perform excellent with Reynolds number variation from 10~2 to 10~4.展开更多
In order to solve the problem of excessive noise and vibration during the operation of the hydraulic transformer,an optimization method of valve plate damping hole structure is proposed to alleviate the phenomenon of ...In order to solve the problem of excessive noise and vibration during the operation of the hydraulic transformer,an optimization method of valve plate damping hole structure is proposed to alleviate the phenomenon of pressure shock.Firstly,the mathematical model of oil pressure gradient in the plunger cavity is established,and the incremental equation of pressure change is derived.Secondly,a kind of buffering structure is proposed,the corresponding relationship between the pressure change and the envelopment angle of the buffering hole and the aperture size is determined by analyzing the oil pressure change curve in the plunger cavity.Finally,the flow field models with buffering holes are established,and the transient simulation of the pressure change process under the optimal solution is carried out with ANSYS software and the flow field pressure distribution contours are obtained.Through the analysis of simulation results,it is concluded that the optimal envelope angle of the three buffer holes ofA-T-B-Ais 5°,and the optimal aperture is 1.8 mm,1.6 mm,and 1.7 mm,respectively.The buffer hole can achieve a better-buffering effect in the range of variable pressure angle[0°,101°].The buffer hole structure can effectively alleviate the pressure shock and reduce the noise level,which lays a foundation for the design and theoretical research of hydraulic transformers.展开更多
A numerical method for simulating nonlinear fluid-rigid structure interaction problems is developed. The structure is assumed to undergo large rigid body motions and the fluid flow is governed by nonlinear, viscous or...A numerical method for simulating nonlinear fluid-rigid structure interaction problems is developed. The structure is assumed to undergo large rigid body motions and the fluid flow is governed by nonlinear, viscous or non-viscous, field equations with nonlinear boundary conditions applied to the free surface and fluid-solid interaction interfaces. An Arbitrary-LagrangianEulerian (ALE) mesh system is used to construct the numerical model. A multi-block numerical scheme of study is adopted allowing for the relative motion between moving overset grids, which are independent of one another. This provides a convenient method to overcome the difficulties in matching fluid meshes with large solid motions. Nonlinear numerical equations describing nonlinear fluid-solid interaction dynamics are derived through a numerical discretization scheme of study. A coupling iteration process is used to solve these numerical equations. Numerical examples are presented to demonstrate applications of the model developed.展开更多
基金supported by the National Natural Science Foundation of China (No.11404230)Foundation of Science and Technology Bureau of Sichuan Province (No.2013JY0085)
文摘Electronic structures and optical properties of single-layer In1-xGaxN are studied by employing Heyd-Scuseria-Ernzerh(HSE) method based on the first-principles. The band structure and density of states(DOS) of single-layer In1-xGaxN are calculated, and the band gap ranges from 1.8 eV to 3.8 eV as the ratio x changes, illustrating the potential for the tunability of band gap values via Ga doped. We also have investigated optical properties of single-layer In1-xGaxN such as dielectric function, refractive index and absorption coefficient, the main peak of dielectric function spectrum and the absorption edge are found to have a remarkable blue-shift as the concentration of Ga increases. Furthermore, the optical properties of single-layer In1-xGaxN are analyzed based on the band structures and DOS analysis. Such unique optical properties have profound application in nanoelectronics and optical devices.
基金Project supported by the National Natural Science Foundation of China (Grant No 50875255)
文摘The propagation characteristics of flexural waves in periodic grid structures designed with the idea of phononic crystals are investigated by combining the Bloch theorem with the finite element method. This combined analysis yields phase constant surfaces, which predict the location and the extension of band gaps, as well as the directions and the regions of wave propagation at assigned frequencies. The predictions are validated by computation and experimental analysis of the harmonic responses of a finite structure with 11 × 11 unit cells. The flexural wave is localized at the point of excitation in band gaps, while the directional behaviour occurs at particular frequencies in pass bands. These studies provide guidelines to designing periodic structures for vibration attenuation.
文摘The title compound [Cu(bix)2(NO3)z·H2P]n 1 (bix = 1,4-bis(imidazole-1-ylme-thyl) benzene) has been synthesized by hydrothermal method. Its crystal structure is of monoclinic, space group P1^- with a = 8.3075(13), b = 9.4725(13), c = 10.0192(13) A, α = 91.088(4), β = 104.063(6), γ = 101.88(1), V = 746.5(3) A^3, Z = 1, C28H30N10O7Cu1, Mr = 682.16, Dc = 1.518 g/cm^3, μ = 0.796 mm^-1, F(000) = 353, the final R = 0.0535 and wR = 0.0996 for 2921 observed reflections with I 〉 2σ(I). Each bix ligand binds two Cu(Ⅱ) ions to form a 2-D(4,4) square grid layer, which is connected by hydrogen bonds showing large channels occupied by solvated water molecules and nitrate anions.
基金supported by the National Science and Technology Support Program (2011BAK12B00)
文摘The herringbone water-sediment separation structure(HWSSS) was developed to prevent debris flows. This paper mainly focuses on evaluating the sediment separation efficiency of HWSSS in debris flow prevention and determining the grid opening width D, a crucial structure parameter for HWSSS design. Theoretical analysis on the total sediment separation rate Pt reveals that the efficiency of sediment separation is much related with sediment grain size distribution(GSD) and grid opening width. The lower limit of Pt is deduced from the perspective of safety consideration by transforming debris flow into sediment-laden flow. Hydraulic model tests were carried out. Based on the regression analysis of the experimental data, the quantitative relationships between Pt and D and GSD characteristic values were finally established. A procedure for determining optimal grid opening width is proposed based on these analyses. These results are of significance in evaluating sediment separation effect by HWSSS in debris flow prevention and contribute to a more explicit methodology for design of HWSSS.
基金Funded by the National Natural Science Foundation of China(No.10572012)
文摘The reflection characteristics of gird structures are calculated by the spatial network method in the case of normal incidence plane electromagnetic wave. The numerical result shows that the grid panels without electromagnetic wave absorbing foams are not ideal. However, the absorbing ability can be achieved as low as -25 dBsm from 8 GHz to 12 GHz when the grid cells are filled with foam absorbers. Also it is noted from computation that the foam filled grid structures with larger cell size, higher and thinner ribs will improve the absorbing abilities, which illustrates that they can be used as the effective light-weight stealth structures for aeronautical application.
文摘This paper presents an improved unstructured grid immersed boundary method.The advantages of both immersed boundary method and body fitted grids which are generated by unstructured grid technology are used to enhance the computation efficiency of fluid structure interaction in complex domain.The Navier-Stokes equation was discretized spacially with collocated finite volume method and Euler implicit method in time domain.The rigid body motion was simulated by immersed boundary method in which the fluid and rigid body interface interaction was dealt with VOS(volume of solid) method.A new VOS calculation method based on graph was presented in which both immersed boundary points and cross points were collected in arbitrary order to form a graph.The method is verified with flow past oscillating cylinder.
文摘The section of electric power is the foundation of national economy. The paper analyzes the relation between industrial structure and grid load in Shanxi province, and finds out that electricity demand and grid load relate linearly to value added of industry. In the end, the paper predicts electricity demand and grid load via the model.
文摘An overset grid methodology is developed for the fully coupled analysis of fluid-structure interaction (FSI) problems. The overset grid approach alleviates some of the computational geometry difficulties traditionally associated with Arbitrary-Lagrangian-Eulerian (ALE) based, moving mesh methods for FSI. Our partitioned solution algorithm uses separate solvers for the fluid (finite volume method) and the structure (finite element method), with mesh motion computed only on a subset of component grids of our overset grid assembly. Our results indicate a significant reduction in computational cost for the mesh motion, and element quality is improved. Numerical studies of the benchmark test demonstrate the benefits of our overset mesh method over traditional approaches.
文摘Based on the first-order upwind and second-order central type of finite volume (UFV and CFV) scheme, upwind and central type of perturbation finite volume (UPFV and CPFV) schemes of the Navier-Stokes equations were developed. In PFV method, the mass fluxes of across the cell faces of the control volume (CV) were expanded into power series of the grid spacing and the coefficients of the power series were determined by means of the conservation equation itself. The UPFV and CPFV scheme respectively uses the same nodes and expressions as those of the normal first-order upwind and second-order central scheme, which is apt to programming. The results of numerical experiments about the flow in a lid-driven cavity and the problem of transport of a scalar quantity in a known velocity field show that compared to the first-order UFV and second-order CFV schemes, upwind PFV scheme is higher accuracy and resolution, especially better robustness. The numerical computation to flow in a lid-driven cavity shows that the under-relaxation factor can be arbitrarily selected ranging from (0.3) to (0.8) and convergence perform excellent with Reynolds number variation from 10~2 to 10~4.
基金Supported by the National Natural Science Foundation of China(No.51975164)Outstanding Youth of Pyramid Talent Training Project ofBeijing University of Civil Engineering and Architecture(No.GDRC20220801)。
文摘In order to solve the problem of excessive noise and vibration during the operation of the hydraulic transformer,an optimization method of valve plate damping hole structure is proposed to alleviate the phenomenon of pressure shock.Firstly,the mathematical model of oil pressure gradient in the plunger cavity is established,and the incremental equation of pressure change is derived.Secondly,a kind of buffering structure is proposed,the corresponding relationship between the pressure change and the envelopment angle of the buffering hole and the aperture size is determined by analyzing the oil pressure change curve in the plunger cavity.Finally,the flow field models with buffering holes are established,and the transient simulation of the pressure change process under the optimal solution is carried out with ANSYS software and the flow field pressure distribution contours are obtained.Through the analysis of simulation results,it is concluded that the optimal envelope angle of the three buffer holes ofA-T-B-Ais 5°,and the optimal aperture is 1.8 mm,1.6 mm,and 1.7 mm,respectively.The buffer hole can achieve a better-buffering effect in the range of variable pressure angle[0°,101°].The buffer hole structure can effectively alleviate the pressure shock and reduce the noise level,which lays a foundation for the design and theoretical research of hydraulic transformers.
文摘A numerical method for simulating nonlinear fluid-rigid structure interaction problems is developed. The structure is assumed to undergo large rigid body motions and the fluid flow is governed by nonlinear, viscous or non-viscous, field equations with nonlinear boundary conditions applied to the free surface and fluid-solid interaction interfaces. An Arbitrary-LagrangianEulerian (ALE) mesh system is used to construct the numerical model. A multi-block numerical scheme of study is adopted allowing for the relative motion between moving overset grids, which are independent of one another. This provides a convenient method to overcome the difficulties in matching fluid meshes with large solid motions. Nonlinear numerical equations describing nonlinear fluid-solid interaction dynamics are derived through a numerical discretization scheme of study. A coupling iteration process is used to solve these numerical equations. Numerical examples are presented to demonstrate applications of the model developed.