Flher-like particle suspensions are common in both na-ture and industry, but there is little work reported on it.The forces acting on the fiber - like particle in fluid arestudied in this paper, and the Magnus lift, S...Flher-like particle suspensions are common in both na-ture and industry, but there is little work reported on it.The forces acting on the fiber - like particle in fluid arestudied in this paper, and the Magnus lift, Saffman lift,pressure gradient force, and then the dynamics modelhave been received. The numerical study of the simpleshear flow past the cylinders shows that the particles ’motion is controlled by the vortex.展开更多
In the present study, the Volterra series theory is adopted to theoretically investigate the force transmissibility of multiple degrees of freedom (MDOF) structures, in which an isolator with nonlinear anti-symmetri...In the present study, the Volterra series theory is adopted to theoretically investigate the force transmissibility of multiple degrees of freedom (MDOF) structures, in which an isolator with nonlinear anti-symmetric viscous damping is assembled. The results reveal that the anti-symmetric nonlinear viscous damping can significantly reduce the force trans- missibility over all resonance regions for MDOF structures with little effect on the transmissibility over non-resonant and isolation regions. The results indicate that the vibration isolators with an anti-symmetric damping characteristic have great potential to solve the dilemma occurring in the design of linear viscously damped vibration isolators where an increase of the damping level reduces the force transmissibility over resonant frequencies but increases the transmissibility over non-resonant frequency regions. This work is an extension of a previous study in which MDOF structures installed on the mount through an isolator with cubic nonlinear damping are considered. The theoretical analysis results are also verified by simulation studies.展开更多
Nanohairs, which can be found on the epidermis of Tokay gecko's toes, contribute to the adhesion by means of van der Waals force, capillary force, etc. This structure has inspired many researchers to fabricate the at...Nanohairs, which can be found on the epidermis of Tokay gecko's toes, contribute to the adhesion by means of van der Waals force, capillary force, etc. This structure has inspired many researchers to fabricate the attachable nano-scale structures. However, the efficiency of artificial nano-scale structures is not reliable sufficiently. Moreover, the mechanical parameters related to the nano-hair attachment are not yet revealed qualitatively. The mechanical parameters which have influence on the ability of adhesive nano-hairs were investigated through numerical simulation in which only van der Waals force was considered. For the numerical analysis, finite element method was utilized and van der Waals force, assumed as 12-6 Lennard-Jones potential, was implemented as the body force term in the finite element formulation.展开更多
A comprehension of railway dynamic behavior implies the measure of wheel-rail contact forces which are affected by disturbances and errors that are often difficult to be quantified. In this study, a benchmark test cas...A comprehension of railway dynamic behavior implies the measure of wheel-rail contact forces which are affected by disturbances and errors that are often difficult to be quantified. In this study, a benchmark test case is proposed, and a bogie with a layout used on some European locomotives such as SIEMENS El90 is studied. In this layout, an additional shaft on which brake disks are installed is used to transmit the braking torque to the wheelset through a single-stage gearbox. Using a mixed approach based on finite element techniques and statistical considerations, it is possible to evaluate an optimal layout for strain gauge positioning and to optimize the measurement system to diminish the effects of noise and disturbance. We also conducted preliminary evaluations on the precision and frequency response of the proposed system.展开更多
The concept vortex force in aerodynamics is sys- tematically examined based on a new steady vortex-force theory (Wu et al., Vorticity and vortex dynamics, Springer, 2006) which expresses the aerodynamic force (and ...The concept vortex force in aerodynamics is sys- tematically examined based on a new steady vortex-force theory (Wu et al., Vorticity and vortex dynamics, Springer, 2006) which expresses the aerodynamic force (and moment) by the volume and boundary integrals of the Lamb vector. In this paper, the underlying physics of this theory is explored, including the general role of the Lamb vector in non- linear aerodynamics, its initial formation, and its relevance to the total-pressure non-uniformity. As a typical example, the theory is applied to the flow over a slender delta wing at a large angle of attack. The highly localized flow structures with high Lamb-vector peaks are identified in terms of their net contribution to various constituents of the total aerody-namic force. This vortex-force diagnosis sheds new light on the flow control and configuration optimization.展开更多
Abstract In this study, the proton and neutron densities, charge densities, rms nuclear charge radii, rms nuclear mass radii, rms nuclear proton, neutron radii, and neutron skin thickness are calculated by using Harfr...Abstract In this study, the proton and neutron densities, charge densities, rms nuclear charge radii, rms nuclear mass radii, rms nuclear proton, neutron radii, and neutron skin thickness are calculated by using Harfree-Fock method with an effective nucleon-nucleon Skyrme interactions with SⅠ, SⅡ, SⅣ, T3, SKM, and SKM^* parameters. These nuclear properties for the neutron-rich isotopes of B (Boron) are presented. The calculated results are compared with the experimental and theoretical results of other researchers.展开更多
The quantization of the forced harmonic oscillator is studied with the quantum variable (<em>x</em>, <span style="white-space:nowrap;"><em><sub>v</sub><sup style="...The quantization of the forced harmonic oscillator is studied with the quantum variable (<em>x</em>, <span style="white-space:nowrap;"><em><sub>v</sub><sup style="margin-left:-8px;">∧</sup></em></span>), with the commutation relation <img src="Edit_28f5b839-7de4-41e5-9ed8-69dc1bf72c2c.bmp" alt="" />, and using a Schr<span style="white-space:nowrap;"><span style="white-space:nowrap;"><span style="white-space:nowrap;">ö</span></span></span>dinger’s like equation on these variable, and associating a linear operator to a constant of motion <em>K</em> (<em>x, v, t</em>) of the classical system, The comparison with the quantization in the space (<em>x, p</em>) is done with the usual Schr<span style="white-space:nowrap;"><span style="white-space:nowrap;"><span style="white-space:nowrap;">ö</span></span></span>dinger’s equation for the Hamiltonian <em>H</em><span style="white-space:normal;">(</span><em style="white-space:normal;">x, p, t</em><span style="white-space:normal;">)</span>, and with the commutation relation <img src="Edit_cca7e318-5b35-4c55-8f09-6089970ce9a2.bmp" alt="" />. It is found that for the non-resonant case, both forms of quantization bring about the same result. However, for the resonant case, both forms of quantization are different, and the probability for the system to be in the exited state for the (<em style="white-space:normal;">x</em><span style="white-space:normal;">, </span><em><sub>v</sub><sup style="margin-left:-8px;">∧</sup></em>) quantization has fewer oscillations than the (<em style="white-space:normal;">x</em><span style="white-space:normal;">, </span><em style="white-space:normal;"><sub>p</sub><sup style="margin-left:-8px;">∧</sup></em>) quantization, the average energy of the system is higher in (<em style="white-space:normal;">x</em><span style="white-space:normal;">, </span><em style="white-space:normal;"><sub>p</sub><sup style="margin-left:-8px;">∧</sup></em>) quantization than on the (<em style="white-space:normal;">x</em><span style="white-space:normal;">, </span><em style="white-space:normal;"><sub>v</sub><sup style="margin-left:-8px;">∧</sup></em>) quantization, and the Boltzmann-Shannon entropy on the (<em style="white-space:normal;">x</em><span style="white-space:normal;">, </span><em style="white-space:normal;"><sub>p</sub><sup style="margin-left:-8px;">∧</sup></em>) quantization is higher than on the (<em style="white-space:normal;">x</em><span style="white-space:normal;">, </span><em style="white-space:normal;"><sub>v</sub><sup style="margin-left:-8px;">∧</sup></em>) quantization.展开更多
The wheel-rail force measurement is of great importance to the condition monitoring and safety evaluation of railway vehicles. In this paper, an improved indirect method for wheel-rail force measurement is proposed to...The wheel-rail force measurement is of great importance to the condition monitoring and safety evaluation of railway vehicles. In this paper, an improved indirect method for wheel-rail force measurement is proposed to evaluate the running safety of railway vehicles. In this method, the equilibrium equations of a suspended wheelset are derived and the wheel-rail forces are then be obtained from measured suspension and inertia forces. This indirect method avoids structural modifications to the wheelset and is applicable to the long-term operation of railway vehicles. As the wheel-rail lateral forces at two sides of the wheelset are difficult to separate, a new derailment criterion by combined use of wheelset derailment coefficient and wheel unloading ratio is proposed. To illustrate its effectiveness, the indirect method is applied to safety evaluation of rail- way vehicles in different scenarios, such as the cross wind safety of a high-speed train and the safety of a metro vehicle with hunting motions. Then, the feasibility of using this method to identify wheel-rail forces for low-floor light rail vehicles with resilient wheels is discussed. The values identified by this method is compared with that by Simpack simulation for the same low-floor vehicle, which shows a good coincidence between them in the time domain of the wheelset lateral force and the wheel-rail vertical force. In addition, use of the method to determine the high-frequency wheel-rail interaction forces reveals that it is possible to identify the high-frequency wheel-rail forces through the accelerations on the axle box.展开更多
This paper analyzed the characteristics of welding solidification crack of stainless steels,and clearly re- vealed the the of the deformation in the molten - the pool and the solidification shrinkage on the stress -...This paper analyzed the characteristics of welding solidification crack of stainless steels,and clearly re- vealed the the of the deformation in the molten - the pool and the solidification shrinkage on the stress - strain fields in the trail of molten - weld pool.Moreover, rheologic properties of the alloys in solid - liquid zone were also obtained by measuring the hading and unloading deform curves of the steels.As a result, a numerical model for simulation of stress - strain distributions of welding solidifi- cation crack was developed. On the basis of the model,the thesis simulated the driving force of solidifi- cation crack of stainless steels, that is, stress - strain fields in the trail of molten-weld pool with fi- nite element method.展开更多
We have prepared the 2-(quinolin-8-yloxy)-acetic acid and characterized it by infrared and Raman spectroscopies in the solid phase. The Density Functional Theory (DFT) method, together with the 6-31G^* and 6-311...We have prepared the 2-(quinolin-8-yloxy)-acetic acid and characterized it by infrared and Raman spectroscopies in the solid phase. The Density Functional Theory (DFT) method, together with the 6-31G^* and 6-311++ G^** basis sets, show that three stable molecules, for the anhydrous and monohydrated compounds were theoretically determined in the gas phase, and that probably the two more stable conformations are present in the solid phase of the monohydrated compound. The harmonic vibrational wavenumbers for the optimized geometries were calculated at B3LYP/6-31G^*and B3LYP/6-311++G^** levels. For a complete assignment of all the observed bands in the vibrational spectra the DFT calculations were combined with Pulay's scaled quantum mechanical force field (SQMFF) methodology in order to fit the theoretical Wavenumber values to the experimental ones. The characteristics of the electronic delocalization of all structures of both forms were performed by using natural bond orbital (NBO), while the corresponding topological properties of electronic charge density are analysed by employing Bader's atoms in molecules theory (AIM).展开更多
To add to the growing mature research on the tropical 30-50 day oscillations from a new prospective, the current work bases on dynamic analysis of baroclinic quasi-geostrophic models to discuss dynamic mechanisms for ...To add to the growing mature research on the tropical 30-50 day oscillations from a new prospective, the current work bases on dynamic analysis of baroclinic quasi-geostrophic models to discuss dynamic mechanisms for the generation and propagation of CISK-Rossby waves, and to understand restraints and effects of different wave structures and thermodynamic forcing on the 30-50 day oscillations in the tropical atmosphere. Some important properties of the oscillation propagation have been explained and, in detail, with respect to its meridional propagation and vertical "baroclinic" structure. The work has come up with some new opinions and viewpoints. New opinions about the propagation and energy dispersion are to be proved by more observations and study.展开更多
Using the ligand bis(3-(1H-imidazol-1-yl)-1-phenylpropan-1-one) L, two novel complexes [CuL2(ph))]·H2O 1 and [ZnL2(tp)] 2 (ph = phthalic acid, tp = terephthalic acid) have been synthesized and their cr...Using the ligand bis(3-(1H-imidazol-1-yl)-1-phenylpropan-1-one) L, two novel complexes [CuL2(ph))]·H2O 1 and [ZnL2(tp)] 2 (ph = phthalic acid, tp = terephthalic acid) have been synthesized and their crystal structures were determined by single-crystal X-ray diffraction analysis. Crystal data for 1: triclinic, space group P1^-, a = 9.4300(17), b = 12.148(2), c = 13.721(2) A, a = 109.620(2),β = 94.351(2), y = 94.830(2)°, C32H30N4O7Cu, Mr = 646.14, V= 1466.2(4) A^3, Z = 2, Dc = 1.464 g/cm3, It(MoKa) = 0.801 mm^-1, F(000) = 670, the final R = 0.0337 and wR = 0.0859 for 5122 observed reflections with I 〉 2σ(I), And those for 2: monoclinic, space group P2/n, a = 7.1866(11), b = 14.144(2), c = 14.407(2)/k, β = 101.427(2)°, C32H28N4O6Zn, Mr = 629.95, V = 1435.4(4) A3, Z = 2, Dc = 1.457 g/cm3, μ(MoKa) = 0.908 mm^-1, F(000) = 652, the final R = 0.0438 and wR= 0.0821 for 2546 observed reflections with I〉 2σ(I). In 1 and 2, ph or tp ligauds bridge the six-coordinated copper(Ⅱ) or four-coordinated zinc(Ⅱ) ions forming 1D zigzag chains while L ligands act as the terminal monodentate ligand. It is noted that weak non-classical C-H…O plays the important and dominating roles in the formation of 2D supramolecular architectures of 1, but in 2 non-classical C-H…O and aromatic π…π Stacking interactions are quite important and play dominant roles in the self-assembly of 2D supramolecular architectures.展开更多
In this paper,we give all-sided pastic analysis of the rectangular slab with three edges simply-supported and other free.Here we discuss the following four cases:(1)The uniformly distributedload over the area a slab.(...In this paper,we give all-sided pastic analysis of the rectangular slab with three edges simply-supported and other free.Here we discuss the following four cases:(1)The uniformly distributedload over the area a slab.(2).A concentrated load act at midpoint of free edges slab.(3)A concen-trated load act at the center a slab.(4)The line load act along free edge of slab.展开更多
This paper compares the estimated electromagnetic forces due to short circuits in power transformers using two computational models. The first model is based on approximate analytical expressions of the electromagneti...This paper compares the estimated electromagnetic forces due to short circuits in power transformers using two computational models. The first model is based on approximate analytical expressions of the electromagnetic lbrces as they have been compiled in earlier versions of the IEC standard 60076-5. The second model is based on a finite element model of the transformer using the software FEMM (Finite Element Method Magnetics). The paper shows how valid the analytical model is for design purposes. Results have been obtained and compared from both models in a number of actual power distribution transformers. It is possible to conclude that the analytical formulation provides satisfactory results for the design of power transformers compared to detailed finite element models. A tool has been designed for this purpose and the main features of it will be described in the paper.展开更多
This article presents illustrations of an extended model of the electron to visualize how it spins and radiates in the external magnetic field. A time-varying magnetic field B produces a rotational induced electric fi...This article presents illustrations of an extended model of the electron to visualize how it spins and radiates in the external magnetic field. A time-varying magnetic field B produces a rotational induced electric field E which rotates (spins) the electron about its axis. In time-constant magnetic field: the electron radiates the cyclotron radiation. In time-varying magnetic field: synchrotron radiation is generated. The couplings between spin, acceleration and radiation will be discussed.展开更多
The hydrodynamic forces and flow field of artificial reef models in steady flow were numerically investigated using the RNG κ-ε turbulent model. The numerical simulation results are consistent with results observed ...The hydrodynamic forces and flow field of artificial reef models in steady flow were numerically investigated using the RNG κ-ε turbulent model. The numerical simulation results are consistent with results observed by experimental means. A comparative study indicates that the corresponding errors of forces between calculated values and values observed in the experiment vary in the range of2.3%-11.2% and that the corresponding errors of velocities vary in the range of 1.3%-15.8%. The flow field numerical results show that upstream and vortices exist when the current passes over and through the surface of the reef model. This study suggests that the numerical simulation method can be applied to predict the forces and flow field associated with artificial reefs.展开更多
基金Supported by the financial of the Natural Science Fund for outatending youth of China and the fund fo the state key laboratory of fluid transreiasion and control of Zhejiand University
文摘Flher-like particle suspensions are common in both na-ture and industry, but there is little work reported on it.The forces acting on the fiber - like particle in fluid arestudied in this paper, and the Magnus lift, Saffman lift,pressure gradient force, and then the dynamics modelhave been received. The numerical study of the simpleshear flow past the cylinders shows that the particles ’motion is controlled by the vortex.
基金supported by the EPSRC (UK)the National Science Fund for Distinguished Young Scholars (11125209)the National Natural Science Foundation of China (10902068 and 51121063)
文摘In the present study, the Volterra series theory is adopted to theoretically investigate the force transmissibility of multiple degrees of freedom (MDOF) structures, in which an isolator with nonlinear anti-symmetric viscous damping is assembled. The results reveal that the anti-symmetric nonlinear viscous damping can significantly reduce the force trans- missibility over all resonance regions for MDOF structures with little effect on the transmissibility over non-resonant and isolation regions. The results indicate that the vibration isolators with an anti-symmetric damping characteristic have great potential to solve the dilemma occurring in the design of linear viscously damped vibration isolators where an increase of the damping level reduces the force transmissibility over resonant frequencies but increases the transmissibility over non-resonant frequency regions. This work is an extension of a previous study in which MDOF structures installed on the mount through an isolator with cubic nonlinear damping are considered. The theoretical analysis results are also verified by simulation studies.
文摘Nanohairs, which can be found on the epidermis of Tokay gecko's toes, contribute to the adhesion by means of van der Waals force, capillary force, etc. This structure has inspired many researchers to fabricate the attachable nano-scale structures. However, the efficiency of artificial nano-scale structures is not reliable sufficiently. Moreover, the mechanical parameters related to the nano-hair attachment are not yet revealed qualitatively. The mechanical parameters which have influence on the ability of adhesive nano-hairs were investigated through numerical simulation in which only van der Waals force was considered. For the numerical analysis, finite element method was utilized and van der Waals force, assumed as 12-6 Lennard-Jones potential, was implemented as the body force term in the finite element formulation.
文摘A comprehension of railway dynamic behavior implies the measure of wheel-rail contact forces which are affected by disturbances and errors that are often difficult to be quantified. In this study, a benchmark test case is proposed, and a bogie with a layout used on some European locomotives such as SIEMENS El90 is studied. In this layout, an additional shaft on which brake disks are installed is used to transmit the braking torque to the wheelset through a single-stage gearbox. Using a mixed approach based on finite element techniques and statistical considerations, it is possible to evaluate an optimal layout for strain gauge positioning and to optimize the measurement system to diminish the effects of noise and disturbance. We also conducted preliminary evaluations on the precision and frequency response of the proposed system.
基金the National Natural Science Foundation of China(10572005).
文摘The concept vortex force in aerodynamics is sys- tematically examined based on a new steady vortex-force theory (Wu et al., Vorticity and vortex dynamics, Springer, 2006) which expresses the aerodynamic force (and moment) by the volume and boundary integrals of the Lamb vector. In this paper, the underlying physics of this theory is explored, including the general role of the Lamb vector in non- linear aerodynamics, its initial formation, and its relevance to the total-pressure non-uniformity. As a typical example, the theory is applied to the flow over a slender delta wing at a large angle of attack. The highly localized flow structures with high Lamb-vector peaks are identified in terms of their net contribution to various constituents of the total aerody-namic force. This vortex-force diagnosis sheds new light on the flow control and configuration optimization.
文摘Abstract In this study, the proton and neutron densities, charge densities, rms nuclear charge radii, rms nuclear mass radii, rms nuclear proton, neutron radii, and neutron skin thickness are calculated by using Harfree-Fock method with an effective nucleon-nucleon Skyrme interactions with SⅠ, SⅡ, SⅣ, T3, SKM, and SKM^* parameters. These nuclear properties for the neutron-rich isotopes of B (Boron) are presented. The calculated results are compared with the experimental and theoretical results of other researchers.
文摘The quantization of the forced harmonic oscillator is studied with the quantum variable (<em>x</em>, <span style="white-space:nowrap;"><em><sub>v</sub><sup style="margin-left:-8px;">∧</sup></em></span>), with the commutation relation <img src="Edit_28f5b839-7de4-41e5-9ed8-69dc1bf72c2c.bmp" alt="" />, and using a Schr<span style="white-space:nowrap;"><span style="white-space:nowrap;"><span style="white-space:nowrap;">ö</span></span></span>dinger’s like equation on these variable, and associating a linear operator to a constant of motion <em>K</em> (<em>x, v, t</em>) of the classical system, The comparison with the quantization in the space (<em>x, p</em>) is done with the usual Schr<span style="white-space:nowrap;"><span style="white-space:nowrap;"><span style="white-space:nowrap;">ö</span></span></span>dinger’s equation for the Hamiltonian <em>H</em><span style="white-space:normal;">(</span><em style="white-space:normal;">x, p, t</em><span style="white-space:normal;">)</span>, and with the commutation relation <img src="Edit_cca7e318-5b35-4c55-8f09-6089970ce9a2.bmp" alt="" />. It is found that for the non-resonant case, both forms of quantization bring about the same result. However, for the resonant case, both forms of quantization are different, and the probability for the system to be in the exited state for the (<em style="white-space:normal;">x</em><span style="white-space:normal;">, </span><em><sub>v</sub><sup style="margin-left:-8px;">∧</sup></em>) quantization has fewer oscillations than the (<em style="white-space:normal;">x</em><span style="white-space:normal;">, </span><em style="white-space:normal;"><sub>p</sub><sup style="margin-left:-8px;">∧</sup></em>) quantization, the average energy of the system is higher in (<em style="white-space:normal;">x</em><span style="white-space:normal;">, </span><em style="white-space:normal;"><sub>p</sub><sup style="margin-left:-8px;">∧</sup></em>) quantization than on the (<em style="white-space:normal;">x</em><span style="white-space:normal;">, </span><em style="white-space:normal;"><sub>v</sub><sup style="margin-left:-8px;">∧</sup></em>) quantization, and the Boltzmann-Shannon entropy on the (<em style="white-space:normal;">x</em><span style="white-space:normal;">, </span><em style="white-space:normal;"><sub>p</sub><sup style="margin-left:-8px;">∧</sup></em>) quantization is higher than on the (<em style="white-space:normal;">x</em><span style="white-space:normal;">, </span><em style="white-space:normal;"><sub>v</sub><sup style="margin-left:-8px;">∧</sup></em>) quantization.
基金supported by the National Natural Science Foundation of China (Grant No. U1334206 and No. 51475388)Science & Technology Development Project of China Railway Corporation (Grant No. J012-C)
文摘The wheel-rail force measurement is of great importance to the condition monitoring and safety evaluation of railway vehicles. In this paper, an improved indirect method for wheel-rail force measurement is proposed to evaluate the running safety of railway vehicles. In this method, the equilibrium equations of a suspended wheelset are derived and the wheel-rail forces are then be obtained from measured suspension and inertia forces. This indirect method avoids structural modifications to the wheelset and is applicable to the long-term operation of railway vehicles. As the wheel-rail lateral forces at two sides of the wheelset are difficult to separate, a new derailment criterion by combined use of wheelset derailment coefficient and wheel unloading ratio is proposed. To illustrate its effectiveness, the indirect method is applied to safety evaluation of rail- way vehicles in different scenarios, such as the cross wind safety of a high-speed train and the safety of a metro vehicle with hunting motions. Then, the feasibility of using this method to identify wheel-rail forces for low-floor light rail vehicles with resilient wheels is discussed. The values identified by this method is compared with that by Simpack simulation for the same low-floor vehicle, which shows a good coincidence between them in the time domain of the wheelset lateral force and the wheel-rail vertical force. In addition, use of the method to determine the high-frequency wheel-rail interaction forces reveals that it is possible to identify the high-frequency wheel-rail forces through the accelerations on the axle box.
文摘This paper analyzed the characteristics of welding solidification crack of stainless steels,and clearly re- vealed the the of the deformation in the molten - the pool and the solidification shrinkage on the stress - strain fields in the trail of molten - weld pool.Moreover, rheologic properties of the alloys in solid - liquid zone were also obtained by measuring the hading and unloading deform curves of the steels.As a result, a numerical model for simulation of stress - strain distributions of welding solidifi- cation crack was developed. On the basis of the model,the thesis simulated the driving force of solidifi- cation crack of stainless steels, that is, stress - strain fields in the trail of molten-weld pool with fi- nite element method.
文摘We have prepared the 2-(quinolin-8-yloxy)-acetic acid and characterized it by infrared and Raman spectroscopies in the solid phase. The Density Functional Theory (DFT) method, together with the 6-31G^* and 6-311++ G^** basis sets, show that three stable molecules, for the anhydrous and monohydrated compounds were theoretically determined in the gas phase, and that probably the two more stable conformations are present in the solid phase of the monohydrated compound. The harmonic vibrational wavenumbers for the optimized geometries were calculated at B3LYP/6-31G^*and B3LYP/6-311++G^** levels. For a complete assignment of all the observed bands in the vibrational spectra the DFT calculations were combined with Pulay's scaled quantum mechanical force field (SQMFF) methodology in order to fit the theoretical Wavenumber values to the experimental ones. The characteristics of the electronic delocalization of all structures of both forms were performed by using natural bond orbital (NBO), while the corresponding topological properties of electronic charge density are analysed by employing Bader's atoms in molecules theory (AIM).
基金Natural Science Foundation of China (49975012) Key Teacher Foundation of Education Ministry
文摘To add to the growing mature research on the tropical 30-50 day oscillations from a new prospective, the current work bases on dynamic analysis of baroclinic quasi-geostrophic models to discuss dynamic mechanisms for the generation and propagation of CISK-Rossby waves, and to understand restraints and effects of different wave structures and thermodynamic forcing on the 30-50 day oscillations in the tropical atmosphere. Some important properties of the oscillation propagation have been explained and, in detail, with respect to its meridional propagation and vertical "baroclinic" structure. The work has come up with some new opinions and viewpoints. New opinions about the propagation and energy dispersion are to be proved by more observations and study.
基金Fund for Central Universities (ZXH2009D011)Natural Science Foundation of Tianjin (09JCYBJC04200)+1 种基金National Natural Science Foundation of China Civil Aviation Administration of China (61079010) Scientific Research Foundation of Civil Aviation University of China (2011KYS05)
文摘Using the ligand bis(3-(1H-imidazol-1-yl)-1-phenylpropan-1-one) L, two novel complexes [CuL2(ph))]·H2O 1 and [ZnL2(tp)] 2 (ph = phthalic acid, tp = terephthalic acid) have been synthesized and their crystal structures were determined by single-crystal X-ray diffraction analysis. Crystal data for 1: triclinic, space group P1^-, a = 9.4300(17), b = 12.148(2), c = 13.721(2) A, a = 109.620(2),β = 94.351(2), y = 94.830(2)°, C32H30N4O7Cu, Mr = 646.14, V= 1466.2(4) A^3, Z = 2, Dc = 1.464 g/cm3, It(MoKa) = 0.801 mm^-1, F(000) = 670, the final R = 0.0337 and wR = 0.0859 for 5122 observed reflections with I 〉 2σ(I), And those for 2: monoclinic, space group P2/n, a = 7.1866(11), b = 14.144(2), c = 14.407(2)/k, β = 101.427(2)°, C32H28N4O6Zn, Mr = 629.95, V = 1435.4(4) A3, Z = 2, Dc = 1.457 g/cm3, μ(MoKa) = 0.908 mm^-1, F(000) = 652, the final R = 0.0438 and wR= 0.0821 for 2546 observed reflections with I〉 2σ(I). In 1 and 2, ph or tp ligauds bridge the six-coordinated copper(Ⅱ) or four-coordinated zinc(Ⅱ) ions forming 1D zigzag chains while L ligands act as the terminal monodentate ligand. It is noted that weak non-classical C-H…O plays the important and dominating roles in the formation of 2D supramolecular architectures of 1, but in 2 non-classical C-H…O and aromatic π…π Stacking interactions are quite important and play dominant roles in the self-assembly of 2D supramolecular architectures.
文摘In this paper,we give all-sided pastic analysis of the rectangular slab with three edges simply-supported and other free.Here we discuss the following four cases:(1)The uniformly distributedload over the area a slab.(2).A concentrated load act at midpoint of free edges slab.(3)A concen-trated load act at the center a slab.(4)The line load act along free edge of slab.
文摘This paper compares the estimated electromagnetic forces due to short circuits in power transformers using two computational models. The first model is based on approximate analytical expressions of the electromagnetic lbrces as they have been compiled in earlier versions of the IEC standard 60076-5. The second model is based on a finite element model of the transformer using the software FEMM (Finite Element Method Magnetics). The paper shows how valid the analytical model is for design purposes. Results have been obtained and compared from both models in a number of actual power distribution transformers. It is possible to conclude that the analytical formulation provides satisfactory results for the design of power transformers compared to detailed finite element models. A tool has been designed for this purpose and the main features of it will be described in the paper.
文摘This article presents illustrations of an extended model of the electron to visualize how it spins and radiates in the external magnetic field. A time-varying magnetic field B produces a rotational induced electric field E which rotates (spins) the electron about its axis. In time-constant magnetic field: the electron radiates the cyclotron radiation. In time-varying magnetic field: synchrotron radiation is generated. The couplings between spin, acceleration and radiation will be discussed.
基金Supported by the National High Technology Research and Development Program of China(863 Programs)(No.2006AA100301)Science and Technology Development Program of Shandong Province(No.2005GG3205102)
文摘The hydrodynamic forces and flow field of artificial reef models in steady flow were numerically investigated using the RNG κ-ε turbulent model. The numerical simulation results are consistent with results observed by experimental means. A comparative study indicates that the corresponding errors of forces between calculated values and values observed in the experiment vary in the range of2.3%-11.2% and that the corresponding errors of velocities vary in the range of 1.3%-15.8%. The flow field numerical results show that upstream and vortices exist when the current passes over and through the surface of the reef model. This study suggests that the numerical simulation method can be applied to predict the forces and flow field associated with artificial reefs.