Effects of operating conditions and device's geometrical sizes on geometrical properties of wall-attaching transonic jet between two parallel plat plates are numerically simulated. Conclusions are as follows: 1) U...Effects of operating conditions and device's geometrical sizes on geometrical properties of wall-attaching transonic jet between two parallel plat plates are numerically simulated. Conclusions are as follows: 1) Upriver part of the wall-attaching jet's center streamline is in good accordance with parabola; 2) When both gas inlet pressure and outlet pressure as well as their ratio are not too high ( the outlet pressure is less than 10 MPa and the pressure ratio is less than 3), the center streamlines of the wall-attaching jet with the same pressure ratio coincide with each other very well, and the deflection degree of the center streamline decreases with rise of the pressure ratio; 3) The deflection degree of the jet's center streamline decreases with either broadening of nozzle's throat or rise of wall offset; 4) With rise of the pressure ratio, attachment distance of the jet increases, but the increase rate descends; 5) The attachment distance ascends with rise of either the nozzle's throat or the wall offset.展开更多
The existing geometrical solution models for predicting ternary thermodynamic properties from relevant binary ones have been analysed,and a general representation was proposed in an integral form on the bases of these...The existing geometrical solution models for predicting ternary thermodynamic properties from relevant binary ones have been analysed,and a general representation was proposed in an integral form on the bases of these models.展开更多
The most stable isomers of NanBm (m + n = 6) clusters and their hydrogen storage properties are investigated by means of density functional theory with a 6-311+G(d) basis set. To study the hydrogen storage prope...The most stable isomers of NanBm (m + n = 6) clusters and their hydrogen storage properties are investigated by means of density functional theory with a 6-311+G(d) basis set. To study the hydrogen storage properties, all of the stable structures of NanBmHx (m + n =6) clusters have been optimized. It shows that boron atoms of NanBm are separated from the other boron atoms, and form satellite BHx (x = 3, 4) clusters around the centre, which attach to the system by a bridging bond of a hydrogen atom or an Na atom. Compared with the hydrogen storage capabilities, the Na3B3 has the highest hydrogen storage capacity among NanBm clusters. The binding energies, interaction energies of hydrogen atom with NanBm clusters and second difference in energy of Na3B3Hx clusters have been calculated. The results show that the stability of the NanBmHx clusters present an odd-even oscillatory effect, as the number of H atoms increases.展开更多
<div style="text-align:justify;"> The ellipse and the superellipse are both planar closed curves with a double axis of symmetry. Here we show the isoconcentration contour of the simplified two-dimensio...<div style="text-align:justify;"> The ellipse and the superellipse are both planar closed curves with a double axis of symmetry. Here we show the isoconcentration contour of the simplified two-dimensional advection-diffusion equation from a stable line source in the center of a wide river. A new two-parameter heteromorphic elliptic equation with a single axis of symmetry is defined. The values of heights, at the point of the maximum width and that of the centroid of the heteromorphic ellipse, are derived through mathematical analysis. Taking the compression coefficient <em>θ </em>= <em>b/a =</em><em></em><span></span> 1 as the criterion, the shape classification of H-type, Standard-type and W-type for heteromorphic ellipse have been given. The area formula, the perimeter theorem, and the radius of curvature of heteromorphic ellipses, and the geometric properties of the rotating body are subsequently proposed. An illustrative analysis shows that the inner contour curve of a heteromorphic elliptic tunnel has obvious advantages over the multiple- arc splicing cross section. This work demonstrates that the heteromorphic ellipses have extensive prospects of application in all categories of tunnels, liquid transport tanks, aircraft and submarines, bridges, buildings, furniture, and crafts. </div>展开更多
Employing first-principles methods, based on the density function theory, and using the LANL2DZ basis sets, the ground-state geometric, the stable and the electronic properties of Aun-2Y2 clusters are investigated in ...Employing first-principles methods, based on the density function theory, and using the LANL2DZ basis sets, the ground-state geometric, the stable and the electronic properties of Aun-2Y2 clusters are investigated in this paper. Meanwhile, the differences in property among pure gold clusters, pure yttrium clusters, gold clusters doped with one yttrium atom, and gold clusters doped with two yttrium atoms are studied. We find that when gold clusters are doped by two yttrium atoms, the odd-even oscillatory behaviours of Aun-1Y and Aun disappear. The properties of Aun-2Y2 clusters are close to those of pure yttrium clusters.展开更多
The searches for large-gap quantum spin Hall insulators are important for both practical and fundamental inter- ests. In this work, we present a theoretical observation of the two-dimensional fully fluorinated stanene...The searches for large-gap quantum spin Hall insulators are important for both practical and fundamental inter- ests. In this work, we present a theoretical observation of the two-dimensional fully fluorinated stanene (SnF) by means of density functional theory. Remarkably, a significant spin-orbit coupling is observed for the SnF monolayer in the valence band at the F point, with a considerable indirect band gap of 278 meV. The direct gap of the SnF monolayer is at the F point, which is slightly larger by as much as 381 meV. In addition, the elastic modulus of the SnF monolayer is about 20J/m^2, which is comparable with the in-plane stiffness of black phos- phorus monolayer along the x-direction (~28.94 J/m^2). Finally, the optical properties of stanene, SnF monolayer and stanene/SnF bilayer are calculated, in which the stanene/SnF bilayer is supposed to be an attractive sunlight absorber.展开更多
The geometries, stabilities, and electronic properties of FSin (n=1~12) clusters are systematically investigated by using first-principles calculations based on the hybrid density-functional theory at the B3LYP/6-3...The geometries, stabilities, and electronic properties of FSin (n=1~12) clusters are systematically investigated by using first-principles calculations based on the hybrid density-functional theory at the B3LYP/6-311G level. The geometries are found to undergo a structural change from two-dimensional to three-dimensional structure when the cluster size n equals 3. On the basis of the obtained lowest-energy geometries, the size dependencies of cluster properties, such as averaged binding energy, fragmentation energy, second-order energy difference, HOMO–LUMO (highest occupied molecular orbital–lowest unoccupied molecular orbital) gap and chemical hardness, are discussed. In addition, natural population analysis indicates that the F atom in the most stable FSin cluster is recorded as being negative and the charges always transfer from Si atoms to the F atom in the FSin clusters.展开更多
Cranes are used in many industries to transport heavy loads from one position to another. These loads are fastened to a crane hook which makes it a critical aspect of the crane itself. The purpose of this study is to ...Cranes are used in many industries to transport heavy loads from one position to another. These loads are fastened to a crane hook which makes it a critical aspect of the crane itself. The purpose of this study is to optimize the performance of the crane hook based on stress, geometry, and weight. A single load is considered and multiple cross sections—including square, circular, and trapezoidal—are analyzed. The analysis takes the form of theoretical calculations and finite element analysis through the use of SOLIDWORKS Simulation. The trapezoidal cross section is determined to be the most efficient and the weight and stress of this cross section are optimized by varying the cross sectional parameters.展开更多
Hydrocarbons are promising products for CO_(2)electroreduction(CRR)while is impeded by the low selectivity.Turning the curvature of the active site is an effective strategy to change the adsorption properties and furt...Hydrocarbons are promising products for CO_(2)electroreduction(CRR)while is impeded by the low selectivity.Turning the curvature of the active site is an effective strategy to change the adsorption properties and further regulate the product distribution and reactivity.Herein,we have designed a novel V single atom catalyst(SAC)based on rolled two-dimensional(2D)BC_(3)N_(2)substrate with different curvatures.The results have demonstrated that increased curvature can enhance the adsorption strength of CRR intermediates,which follows different mechanisms for systems with low and high curvature.This character eventually leads to the deviation away from the scaling line between Ead[CO]∼Ead[COOH]based on transition metals for V@2D-BC_(3)N_(2)systems.3-3 system is screened as the optimal candidate for hydrocarbons production due to the enhanced binding ability of adsorbates,which can increase the reactivity for hydrocarbons production and hinder the production of H2 and HCOOH simultaneously.展开更多
Estimation of differential geometric properties on a discrete surface is a fundamental work in computer graphics and computer vision. In this paper, we present an accurate and robust method for estimating differential...Estimation of differential geometric properties on a discrete surface is a fundamental work in computer graphics and computer vision. In this paper, we present an accurate and robust method for estimating differential quantities from unorganized point cloud. The principal curvatures and principal directions at each point are computed with the help of partial derivatives of the unit normal vector at that point, where the normal derivatives are estimated by fitting a linear function to each component of the normal vectors in a neighborhood. This method takes into account the normal information of all neighboring points and computes curvatures directly from the variation of unit normal vectors, which improves the accuracy and robustness of curvature estimation on irregular sampled noisy data. The main advantage of our approach is that the estimation of curvatures at a point does not rely on the accuracy of the normal vector at that point, and the normal vectors can be refined in the process of curvature estimation. Compared with the state of the art methods for estimating curvatures and Darboux frames on both synthetic and real point clouds, the approach is shown to be more accurate and robust for noisy and unorganized point cloud data.展开更多
The quality of parts manufactured using laser metal deposition(LMD),similar to other additive manufacturing methods,is influenced by processing parameters.Such parameters determine geometric stability,favorable micros...The quality of parts manufactured using laser metal deposition(LMD),similar to other additive manufacturing methods,is influenced by processing parameters.Such parameters determine geometric stability,favorable microstructures,and good mechanical properties.This study aimed to investigate the effects of pulsed laser parameters(duty cycle and pulse frequency)and scanning patterns(unidirectional and bidirectional patterns)on the properties of parts fabricated using LMD.Results show that the properties of the LMD-fabricated parts are obviously influenced by pulsed laser parameters and scanning patterns.Using the unidirectional scanning pattern in both pulsed laser parameters enhances the properties of the thin-walled parts prepared using LMD.An increase in duty cycle can improve geometric stability,increase grain size,and reduce microhardness.Furthermore,the geometric stability does not vary considerably with the use of different frequencies,but the microstructure of fabricated parts shows various grain sizes with different pulse frequencies.In addition,the microhardness increases as the frequency increases from 13.33 to 50 Hz.In general,the influence of the duty cycle on geometric properties is greater than that of frequency.Meanwhile,the impact of frequency on microhardness is greater than that of the duty cycle.展开更多
KTHE-BOCHNER spaces are important generalizations of the Lebesgue-Bochner spaces L_p(μ, Χ) and Bochner-Orlicz spaces L_Φ(X). More and more people take interest in studying theory of Kthe-Bochner spaces in recent ye...KTHE-BOCHNER spaces are important generalizations of the Lebesgue-Bochner spaces L_p(μ, Χ) and Bochner-Orlicz spaces L_Φ(X). More and more people take interest in studying theory of Kthe-Bochner spaces in recent years. It is one of the main problems of whether or not a geometric property can be lifted from X to E (X).展开更多
基金Chinese 863 National Program Foundation(No.2006AA05Z216)
文摘Effects of operating conditions and device's geometrical sizes on geometrical properties of wall-attaching transonic jet between two parallel plat plates are numerically simulated. Conclusions are as follows: 1) Upriver part of the wall-attaching jet's center streamline is in good accordance with parabola; 2) When both gas inlet pressure and outlet pressure as well as their ratio are not too high ( the outlet pressure is less than 10 MPa and the pressure ratio is less than 3), the center streamlines of the wall-attaching jet with the same pressure ratio coincide with each other very well, and the deflection degree of the center streamline decreases with rise of the pressure ratio; 3) The deflection degree of the jet's center streamline decreases with either broadening of nozzle's throat or rise of wall offset; 4) With rise of the pressure ratio, attachment distance of the jet increases, but the increase rate descends; 5) The attachment distance ascends with rise of either the nozzle's throat or the wall offset.
文摘The existing geometrical solution models for predicting ternary thermodynamic properties from relevant binary ones have been analysed,and a general representation was proposed in an integral form on the bases of these models.
基金supported by the National Natural Science Foundation of China (Grant Nos. 10965002 and 30960031)the Science Foundation of Education Committee of Jiangxi Province,China (Grant No. GJJ10540)the Doctoral Startup Fund of Jinggangshan University
文摘The most stable isomers of NanBm (m + n = 6) clusters and their hydrogen storage properties are investigated by means of density functional theory with a 6-311+G(d) basis set. To study the hydrogen storage properties, all of the stable structures of NanBmHx (m + n =6) clusters have been optimized. It shows that boron atoms of NanBm are separated from the other boron atoms, and form satellite BHx (x = 3, 4) clusters around the centre, which attach to the system by a bridging bond of a hydrogen atom or an Na atom. Compared with the hydrogen storage capabilities, the Na3B3 has the highest hydrogen storage capacity among NanBm clusters. The binding energies, interaction energies of hydrogen atom with NanBm clusters and second difference in energy of Na3B3Hx clusters have been calculated. The results show that the stability of the NanBmHx clusters present an odd-even oscillatory effect, as the number of H atoms increases.
文摘<div style="text-align:justify;"> The ellipse and the superellipse are both planar closed curves with a double axis of symmetry. Here we show the isoconcentration contour of the simplified two-dimensional advection-diffusion equation from a stable line source in the center of a wide river. A new two-parameter heteromorphic elliptic equation with a single axis of symmetry is defined. The values of heights, at the point of the maximum width and that of the centroid of the heteromorphic ellipse, are derived through mathematical analysis. Taking the compression coefficient <em>θ </em>= <em>b/a =</em><em></em><span></span> 1 as the criterion, the shape classification of H-type, Standard-type and W-type for heteromorphic ellipse have been given. The area formula, the perimeter theorem, and the radius of curvature of heteromorphic ellipses, and the geometric properties of the rotating body are subsequently proposed. An illustrative analysis shows that the inner contour curve of a heteromorphic elliptic tunnel has obvious advantages over the multiple- arc splicing cross section. This work demonstrates that the heteromorphic ellipses have extensive prospects of application in all categories of tunnels, liquid transport tanks, aircraft and submarines, bridges, buildings, furniture, and crafts. </div>
基金Project supported by the National Natural Science Foundation of China (Grant No. 10276028)the Education Committee of Chongqing,China (Grant No. KJ051105)
文摘Employing first-principles methods, based on the density function theory, and using the LANL2DZ basis sets, the ground-state geometric, the stable and the electronic properties of Aun-2Y2 clusters are investigated in this paper. Meanwhile, the differences in property among pure gold clusters, pure yttrium clusters, gold clusters doped with one yttrium atom, and gold clusters doped with two yttrium atoms are studied. We find that when gold clusters are doped by two yttrium atoms, the odd-even oscillatory behaviours of Aun-1Y and Aun disappear. The properties of Aun-2Y2 clusters are close to those of pure yttrium clusters.
基金Supported by the Science Foundation of Nanjing University of Posts and Telecommunications under Grant No NY215064the China Postdoctoral Science Foundation under Grant No 2015M581824the Jiangsu Post-doctoral Foundation under Grant No1501070B
文摘The searches for large-gap quantum spin Hall insulators are important for both practical and fundamental inter- ests. In this work, we present a theoretical observation of the two-dimensional fully fluorinated stanene (SnF) by means of density functional theory. Remarkably, a significant spin-orbit coupling is observed for the SnF monolayer in the valence band at the F point, with a considerable indirect band gap of 278 meV. The direct gap of the SnF monolayer is at the F point, which is slightly larger by as much as 381 meV. In addition, the elastic modulus of the SnF monolayer is about 20J/m^2, which is comparable with the in-plane stiffness of black phos- phorus monolayer along the x-direction (~28.94 J/m^2). Finally, the optical properties of stanene, SnF monolayer and stanene/SnF bilayer are calculated, in which the stanene/SnF bilayer is supposed to be an attractive sunlight absorber.
基金Project supported by the National Natural Science Foundation of China(Grant Nos.11304167 and 51374132)the Postdoctoral Science Foundation of China(Grant No.20110491317)+1 种基金the Young Core Instructor Foundation of Henan Province,China(Grant No.2012GGJS-152)the Natural Science Foundation of Henan Province,China(Grant Nos.132300410209 and 132300410290)
文摘The geometries, stabilities, and electronic properties of FSin (n=1~12) clusters are systematically investigated by using first-principles calculations based on the hybrid density-functional theory at the B3LYP/6-311G level. The geometries are found to undergo a structural change from two-dimensional to three-dimensional structure when the cluster size n equals 3. On the basis of the obtained lowest-energy geometries, the size dependencies of cluster properties, such as averaged binding energy, fragmentation energy, second-order energy difference, HOMO–LUMO (highest occupied molecular orbital–lowest unoccupied molecular orbital) gap and chemical hardness, are discussed. In addition, natural population analysis indicates that the F atom in the most stable FSin cluster is recorded as being negative and the charges always transfer from Si atoms to the F atom in the FSin clusters.
文摘Cranes are used in many industries to transport heavy loads from one position to another. These loads are fastened to a crane hook which makes it a critical aspect of the crane itself. The purpose of this study is to optimize the performance of the crane hook based on stress, geometry, and weight. A single load is considered and multiple cross sections—including square, circular, and trapezoidal—are analyzed. The analysis takes the form of theoretical calculations and finite element analysis through the use of SOLIDWORKS Simulation. The trapezoidal cross section is determined to be the most efficient and the weight and stress of this cross section are optimized by varying the cross sectional parameters.
基金supported by the National Natural Science Foundation of China(No.21603109)the Henan Joint Fund of the National Natural Science Foundation of China(No.U1404216)+3 种基金the Special Fund of Tianshui Normal University,China(No.CXJ2020-08)the Scientific Research Program Funded by Shaanxi Provincial Education Department(No.20JK0676)supported by Natural Science Basic Research Program of Shanxi(Nos.2022JQ-108,2022JQ-096)In addition,this work was also partially supported by the Postgraduate Research Opportunities Program of HZWTECH(No.HZWTECH-PROP).
文摘Hydrocarbons are promising products for CO_(2)electroreduction(CRR)while is impeded by the low selectivity.Turning the curvature of the active site is an effective strategy to change the adsorption properties and further regulate the product distribution and reactivity.Herein,we have designed a novel V single atom catalyst(SAC)based on rolled two-dimensional(2D)BC_(3)N_(2)substrate with different curvatures.The results have demonstrated that increased curvature can enhance the adsorption strength of CRR intermediates,which follows different mechanisms for systems with low and high curvature.This character eventually leads to the deviation away from the scaling line between Ead[CO]∼Ead[COOH]based on transition metals for V@2D-BC_(3)N_(2)systems.3-3 system is screened as the optimal candidate for hydrocarbons production due to the enhanced binding ability of adsorbates,which can increase the reactivity for hydrocarbons production and hinder the production of H2 and HCOOH simultaneously.
基金Supported in part by the National Natural Science Foundation of China (Grant Nos. 60672148, 60872120)the National High-Tech Research & Development Program of China (Grant Nos. 2006AA01Z301, 2008AA01Z301)Beijing Municipal Natural Science Foundation (Grant No.4062033)
文摘Estimation of differential geometric properties on a discrete surface is a fundamental work in computer graphics and computer vision. In this paper, we present an accurate and robust method for estimating differential quantities from unorganized point cloud. The principal curvatures and principal directions at each point are computed with the help of partial derivatives of the unit normal vector at that point, where the normal derivatives are estimated by fitting a linear function to each component of the normal vectors in a neighborhood. This method takes into account the normal information of all neighboring points and computes curvatures directly from the variation of unit normal vectors, which improves the accuracy and robustness of curvature estimation on irregular sampled noisy data. The main advantage of our approach is that the estimation of curvatures at a point does not rely on the accuracy of the normal vector at that point, and the normal vectors can be refined in the process of curvature estimation. Compared with the state of the art methods for estimating curvatures and Darboux frames on both synthetic and real point clouds, the approach is shown to be more accurate and robust for noisy and unorganized point cloud data.
基金the National Natural Science Foundation of China(No.52175455)Equipment Pre-research Foundation(No.80923010401)+1 种基金Science and Technology Innovation Fund of Dalian(No.2020JJ26GX040)Fundamental Research Funds for the Central Universities(No.DUT20JC19).
文摘The quality of parts manufactured using laser metal deposition(LMD),similar to other additive manufacturing methods,is influenced by processing parameters.Such parameters determine geometric stability,favorable microstructures,and good mechanical properties.This study aimed to investigate the effects of pulsed laser parameters(duty cycle and pulse frequency)and scanning patterns(unidirectional and bidirectional patterns)on the properties of parts fabricated using LMD.Results show that the properties of the LMD-fabricated parts are obviously influenced by pulsed laser parameters and scanning patterns.Using the unidirectional scanning pattern in both pulsed laser parameters enhances the properties of the thin-walled parts prepared using LMD.An increase in duty cycle can improve geometric stability,increase grain size,and reduce microhardness.Furthermore,the geometric stability does not vary considerably with the use of different frequencies,but the microstructure of fabricated parts shows various grain sizes with different pulse frequencies.In addition,the microhardness increases as the frequency increases from 13.33 to 50 Hz.In general,the influence of the duty cycle on geometric properties is greater than that of frequency.Meanwhile,the impact of frequency on microhardness is greater than that of the duty cycle.
文摘KTHE-BOCHNER spaces are important generalizations of the Lebesgue-Bochner spaces L_p(μ, Χ) and Bochner-Orlicz spaces L_Φ(X). More and more people take interest in studying theory of Kthe-Bochner spaces in recent years. It is one of the main problems of whether or not a geometric property can be lifted from X to E (X).