The first-principles method based on density-functional theory is used to investigate the geometries of the lowest-lying isomers of AunAg2 （n = 1 - 4） clusters. Several low-lying isomers are determined, and many of ...The first-principles method based on density-functional theory is used to investigate the geometries of the lowest-lying isomers of AunAg2 （n = 1 - 4） clusters. Several low-lying isomers are determined, and many of them in electronic configurations with a high spin multiplicity. The stability trend of Ag-doped Aun dusters is compared to that of pure Aun clusters. Our results indicate that the inclusion of two Ag atoms in the clusters lowers the cluster stability, indicating higher stability as the structures grow in size. The bigger energy difference between the Aun and AunAg2 curves as the structures grows in size. This information will be useful to understanding the enhanced catalytic activity and selectivity gained by using silver-doped gold catalyst.展开更多
This paper presents a method for tracing a planar implicit curve f（x, y）=0 on a rectangular region based on continuation scheme. First, according to the starting track-point and the starting track-direction of the c...This paper presents a method for tracing a planar implicit curve f（x, y）=0 on a rectangular region based on continuation scheme. First, according to the starting track-point and the starting track-direction of the curve, make a new fimction F（x, y）=0 where the same curve withf（x, y）=0 is defined. Then we trace the curve between the two domains where F（x, y）〉0 and F（x, y）〈0 alternately, according to the two rules presented in this paper. Equal step size or adaptive step size can be used, when we trace the curve. An irregular planar implicit curve （such as the curve with large curvatures at some points on the curve）, can be plotted if an adaptive step size is used. Moreover, this paper presents a scheme to search for the multiple points on the curve. Our method has the following advantages： （1） it can plot Co planar implicit curves; （2） it can plot the planar implicit curves with multiple points; （3） by the help of using the two rules, our method does not need to compute the tangent vector at the points on the curve, and directly searches for the direction of the tracing curve; （4） the tracing procedure costs only one of two evaluations of function f（x, y）=0 per moving step, while most existing similar methods cost more evaluations of the function.展开更多
According to the configuration,mixed-conducting membranes are classified as symmetric membranes and asymmetric membranes consisting of a thin dense layer and a porous support.In this study,these two kinds of SrCo0.4Fe...According to the configuration,mixed-conducting membranes are classified as symmetric membranes and asymmetric membranes consisting of a thin dense layer and a porous support.In this study,these two kinds of SrCo0.4Fe0.5Zr0.1O3-δ oxide-based membranes were systematically compared in terms of oxygen permeability and chemical stability,and their differences were elucidated by means of the theoretical calculation.For the oxygen permeability,the asymmetric membrane was greater than the symmetric membrane due to the significant decrease of bulk diffusion resistance in the thin dense layer of the asymmetric membrane.In regard to the chemical stability,the increase of oxygen partial pressure on the asymmetric membrane surface at CH4 side produced the stable time of over 1032h in partial oxidation of methane at 1123K,while the symmetric membrane was only of 528h.This study demonstrated that the asymmetric membrane was a promising geometrical configuration for the practical application.展开更多
In this paper,by using the basic properties of arithmetic functionσ(n),the existence of amicable pairs is discussed.We prove that all prime cubes are anti-sociable numbers.
In the present paper,the authors study totally real 2-harmonic submanifolds in a complex space form and obtain a Simons' type integral inequality of compact submanifolds as well as some relevant conclusions.
The main aim of this paper is determine the centrifugal fan with forward curved blades aerodynamic characteristics based on numerical modeling. Three variants of geometry were investigated. The first, basic "A&qu...The main aim of this paper is determine the centrifugal fan with forward curved blades aerodynamic characteristics based on numerical modeling. Three variants of geometry were investigated. The first, basic "A" variant contains 12 blades. The geometry of second "B" variant contains 12 blades and 12 semi-blades with optimal length[1]. The third, control variant "C" contains 24 blades without semi-blades. Numerical calculations were performed by CFD Ansys. Another aim of this paper is to compare results of the numerical simulation with results of approximate numerical procedure. Applied approximate numerical procedure [2] is designated to determine characteristics of the turbulent flow in the bladed space of a centrifugal-flow fan impeller. This numerical method is an extension of the hydro-dynamical cascade theory for incompressible and inviscid fluid flow. Paper also partially compares results from the numerical simulation and results from the experimental investigation. Acoustic phenomena observed during experiment, during numerical simulation manifested as deterioration of the calculation stability, residuals oscillation and thus also as a flow field oscillation. Pressure pulsations are evaluated by using frequency analysis for each variant and working condition.展开更多
In this paper,we give the classification of the singularities of hyperbolic Darboux image and rectifying Gaussian surface of nonlightlike curve in Minkowski 3-space.We establish the relationship between the singularit...In this paper,we give the classification of the singularities of hyperbolic Darboux image and rectifying Gaussian surface of nonlightlike curve in Minkowski 3-space.We establish the relationship between the singularities and the geometric invariants of curves which are deeply related to its order of contact with helices.展开更多
基金The project supported by the Foundation from the Education Department of Sichuan Province under Grant No. 2004A117
文摘The first-principles method based on density-functional theory is used to investigate the geometries of the lowest-lying isomers of AunAg2 （n = 1 - 4） clusters. Several low-lying isomers are determined, and many of them in electronic configurations with a high spin multiplicity. The stability trend of Ag-doped Aun dusters is compared to that of pure Aun clusters. Our results indicate that the inclusion of two Ag atoms in the clusters lowers the cluster stability, indicating higher stability as the structures grow in size. The bigger energy difference between the Aun and AunAg2 curves as the structures grows in size. This information will be useful to understanding the enhanced catalytic activity and selectivity gained by using silver-doped gold catalyst.
文摘This paper presents a method for tracing a planar implicit curve f（x, y）=0 on a rectangular region based on continuation scheme. First, according to the starting track-point and the starting track-direction of the curve, make a new fimction F（x, y）=0 where the same curve withf（x, y）=0 is defined. Then we trace the curve between the two domains where F（x, y）〉0 and F（x, y）〈0 alternately, according to the two rules presented in this paper. Equal step size or adaptive step size can be used, when we trace the curve. An irregular planar implicit curve （such as the curve with large curvatures at some points on the curve）, can be plotted if an adaptive step size is used. Moreover, this paper presents a scheme to search for the multiple points on the curve. Our method has the following advantages： （1） it can plot Co planar implicit curves; （2） it can plot the planar implicit curves with multiple points; （3） by the help of using the two rules, our method does not need to compute the tangent vector at the points on the curve, and directly searches for the direction of the tracing curve; （4） the tracing procedure costs only one of two evaluations of function f（x, y）=0 per moving step, while most existing similar methods cost more evaluations of the function.
基金Supported by the National Basic Research Program of China （2009CB623406）, the National Natural Science Foundation of China （20636020）, the National High Technology Research and Development Program of China （2006AA030204） and the Specialized Research Fund for the Doctoral Program of Higher Education of China （20060291003）.
文摘According to the configuration,mixed-conducting membranes are classified as symmetric membranes and asymmetric membranes consisting of a thin dense layer and a porous support.In this study,these two kinds of SrCo0.4Fe0.5Zr0.1O3-δ oxide-based membranes were systematically compared in terms of oxygen permeability and chemical stability,and their differences were elucidated by means of the theoretical calculation.For the oxygen permeability,the asymmetric membrane was greater than the symmetric membrane due to the significant decrease of bulk diffusion resistance in the thin dense layer of the asymmetric membrane.In regard to the chemical stability,the increase of oxygen partial pressure on the asymmetric membrane surface at CH4 side produced the stable time of over 1032h in partial oxidation of methane at 1123K,while the symmetric membrane was only of 528h.This study demonstrated that the asymmetric membrane was a promising geometrical configuration for the practical application.
基金the National Natural Science Foundation of China （No. 10771186） the Natural Science Foundation of Guangdong Province （No. 06029035） the Science Foundation of Maoming University （No. 201076）.
文摘In this paper,by using the basic properties of arithmetic functionσ(n),the existence of amicable pairs is discussed.We prove that all prime cubes are anti-sociable numbers.
基金Natural Science Foundation of Education Department of Anhui Province （No. 2004kj166zd）.
文摘In the present paper,the authors study totally real 2-harmonic submanifolds in a complex space form and obtain a Simons' type integral inequality of compact submanifolds as well as some relevant conclusions.
基金supported by Technology Agency of the Czech Republic TAR CK TEO 01020036
文摘The main aim of this paper is determine the centrifugal fan with forward curved blades aerodynamic characteristics based on numerical modeling. Three variants of geometry were investigated. The first, basic "A" variant contains 12 blades. The geometry of second "B" variant contains 12 blades and 12 semi-blades with optimal length[1]. The third, control variant "C" contains 24 blades without semi-blades. Numerical calculations were performed by CFD Ansys. Another aim of this paper is to compare results of the numerical simulation with results of approximate numerical procedure. Applied approximate numerical procedure [2] is designated to determine characteristics of the turbulent flow in the bladed space of a centrifugal-flow fan impeller. This numerical method is an extension of the hydro-dynamical cascade theory for incompressible and inviscid fluid flow. Paper also partially compares results from the numerical simulation and results from the experimental investigation. Acoustic phenomena observed during experiment, during numerical simulation manifested as deterioration of the calculation stability, residuals oscillation and thus also as a flow field oscillation. Pressure pulsations are evaluated by using frequency analysis for each variant and working condition.
基金the National Natural Science Foundation of China （No. 10471020） the Program for New Century Excellent Talents in University of China （No. 05-0319）.
文摘In this paper,we give the classification of the singularities of hyperbolic Darboux image and rectifying Gaussian surface of nonlightlike curve in Minkowski 3-space.We establish the relationship between the singularities and the geometric invariants of curves which are deeply related to its order of contact with helices.
