this paper,we introduce the L_(p) Shephard problem on entropy of log-concave functions,a comparison problem:whether ∏_(p)f≤∏_(p)g implies that Ent(f)≥Ent(g),for 1≤p<n,and Ent(f)≤Ent(g),for n<p,where ∏_(p)...this paper,we introduce the L_(p) Shephard problem on entropy of log-concave functions,a comparison problem:whether ∏_(p)f≤∏_(p)g implies that Ent(f)≥Ent(g),for 1≤p<n,and Ent(f)≤Ent(g),for n<p,where ∏_(p)f is the L_(p) projection body of a log-concave function f.Our results give a partial answer to this problem.展开更多
The hydrolysis process of Ru(III) complex (HL)[trans-RuC14L(dmso-S)] (L=l-methyl-l,2,4- triazole and dmso-S=S-dimethyl sulfoxide) (1), a potential antitumor complex similar to the well-known antitumor agent ...The hydrolysis process of Ru(III) complex (HL)[trans-RuC14L(dmso-S)] (L=l-methyl-l,2,4- triazole and dmso-S=S-dimethyl sulfoxide) (1), a potential antitumor complex similar to the well-known antitumor agent (Him)[trans-RuC14 (dmso-S)(im)] (NAMI-A, im=imidazole), was investigated using density functional theory combined with the conductor-like polarizable continuum model approach. Tile structural characteristics and the detailed energy profiles for the hydrolysis processes of this complex were obtained. For the first hydrolysis step, complex 1 has slightly higher barrier energies than the reported anticancer drug NAMI-A, and the result is in accordance with the experimental evidence indicating larger half-life for complex 1. For the second hydrolysis step, the formation of cis-diaqua species is thermodynamic preferred to that of trans isomers. In addition, on the basis of the analysis of electronic characteristics of species in the hydrolysis process, the trend in nucleophilic attack abilities of hydrolysis products by pertinent biomolecules is revealed and predicted.展开更多
The effective smoke preventing installation should have the functions such as absolute smoke insulation, going into and coming off the smoke preventing place freely, no confinement of sight. The smoke preventing ai...The effective smoke preventing installation should have the functions such as absolute smoke insulation, going into and coming off the smoke preventing place freely, no confinement of sight. The smoke preventing air curtain is the most effective. Based on the previous researches done by others, the flow field is theoretically analyzed and the calculating method for the smoke preventing air curtain of high rise buildings is inferred by means of mathematics in this paper.展开更多
Using the Nevanlinna theory of the value distribution of meromorphic functions, we investigate the existence problem of admissible algebroid solutions of generalized complex algebraic differential equations and obtain...Using the Nevanlinna theory of the value distribution of meromorphic functions, we investigate the existence problem of admissible algebroid solutions of generalized complex algebraic differential equations and obtain some results.展开更多
The formulas for atomic displacements and Hamiltonian of a thin crystal film in phonon occupation number representation are obtained with the aid of Green's function theory. On the basis of these results, the form...The formulas for atomic displacements and Hamiltonian of a thin crystal film in phonon occupation number representation are obtained with the aid of Green's function theory. On the basis of these results, the formulas for thermal expansion coefficients of the thin crystal film are derived with the perturbation theory, and the numerical calculations are carried out. The results show that the thinner films have larger thermal expansion coefficients.展开更多
The rising behavior of single bubbles has been investigated in six systems with different viscosity and Morton number(Mo) from 3.21×10-11 to 163. Bubbles with maximum equivalent diameter of up to 16 mm were inves...The rising behavior of single bubbles has been investigated in six systems with different viscosity and Morton number(Mo) from 3.21×10-11 to 163. Bubbles with maximum equivalent diameter of up to 16 mm were investigated. The bubble Reynolds number(Re) ranged from 0.02 to 1200 covering 3 regimes in which two func-tions are obtained relating the drag coefficient,CD,with Re and Mo. It has been found that in the high Reynolds number regime the drag coefficient increases until the Reynolds number of about 1200. The classic expression of Jamialahmadi(1994) is improved and extended to high viscosity liquids. A new relationship for the aspect ratio of deformed bubbles in terms of Re,the Etvs number and Mo,applicable to a wide range of system properties,espe-cially in high viscosity liquids,is also suggested.展开更多
A filled function with adjustable parameters is suggested in this paper for finding a global minimum point of a general class of nonlinear programming problems with a bounded and closed domain. This function has two a...A filled function with adjustable parameters is suggested in this paper for finding a global minimum point of a general class of nonlinear programming problems with a bounded and closed domain. This function has two adjustable parameters. We will discuss the properties of the proposed filled function. Conditions on this function and on the values of parameters are given so that the constructed function has the desired properties of traditional filled function.展开更多
We discuss estimates for the rate of convergence of the method of successive subspace corrections in terms of condition number estimate for the method of parallel subspace corrections.We provide upper bounds and in a ...We discuss estimates for the rate of convergence of the method of successive subspace corrections in terms of condition number estimate for the method of parallel subspace corrections.We provide upper bounds and in a special case,a lower bound for preconditioners defined via the method of successive subspace corrections.展开更多
Applying the integral a priori estimates method, the existence and uniqueness ofthe global solution for the dissipative Hasegawa-Mima equation with initial periodic bound-ary condition was proved.
To solve the problem in dispute about a Schrdinger equation with time-depenelent mass and frequency, by means of a simple transformation of variables, the time-dependent Schrdinger equation is transformed into the tim...To solve the problem in dispute about a Schrdinger equation with time-depenelent mass and frequency, by means of a simple transformation of variables, the time-dependent Schrdinger equation is transformed into the time-independent one first and then an exact wave function can be found.展开更多
The binding energy spectra and electron momentum distributions for the outer valence molecular orbitals of gaseous 2-fluoroethanol have been measured by the non-coplanar asym- metric (e, 2e) spectrometer at impact e...The binding energy spectra and electron momentum distributions for the outer valence molecular orbitals of gaseous 2-fluoroethanol have been measured by the non-coplanar asym- metric (e, 2e) spectrometer at impact energy of 2.5 keV plus binding energy. The quantitative calculations of the ionization energies and the relevant molecular orbitals have been carried out by using the outer-valence Green's function method and the density functional theory with B3LYP hybrid functional. The observed ionization bands in binding energy spectra, as well as the previous photoelectron spectrum which was not assigned, have been assigned for the first time through the comparison between experiment and theory. In general, the the- oretical electron momentum distributions calculated by B3LYP method with aug-cc-pVTZ basis set are in line with the experimental ones when taking into account the Boltzmann- weighted thermo-statistical abundances of five conformers of 2-fluoroethanol.展开更多
Covering a wide range of bulk densities, density profiles for hard-sphere chain fluids (HSCFs) with chain length of 3,4,8,20,32 and 64 confined between two surfaces were obtained by Monte Carlo simulations using exten...Covering a wide range of bulk densities, density profiles for hard-sphere chain fluids (HSCFs) with chain length of 3,4,8,20,32 and 64 confined between two surfaces were obtained by Monte Carlo simulations using extended continuum configurational-bias (ECCB) method. It is shown that the enrichment of beads near surfaces is happened at high densities due to the bulk packing effect, on the contrary, the depletion is revealed at low densities owing to the configurational entropic contribution. Comparisons with those calculated by density functional theory presented by Cai et al. indicate that the agreement between simulations and predictions is good. Compressibility factors of bulk HSCFs calculated using volume fractions at surfaces were also used to test the reliability of various equations of state of HSCFs by different authors.展开更多
Low-lying electronic states of the lutetium dimer (Lu2) were studied based on density functional theory (DFT) using ten different density functionals together with three different relativistic effective core pseud...Low-lying electronic states of the lutetium dimer (Lu2) were studied based on density functional theory (DFT) using ten different density functionals together with three different relativistic effective core pseudopotentials (RECPs). Relative state energies, equilibrium bond lengths, vibrational frequencies, and ground-state dissociation energies were evaluated. It was found that the ground state is a triplet state irrespective of the type of functional and RECP used. This result is in contrast with a previous DFT calculation which gave a singlet ground state for Lu2. By comparing with the high-level ab initio and available experimental results, it is evident that the hybrid-GGA functionals combined with the Stuttgart smallcore RECP yield the best overall agreement for the properties under study. The effects of Hartree-Fock exchange in B3LYP functional on the calculated bond length and dissociation energy of the ground state were examined, and rationalized in terms of 5d participation in Lu-Lu covalent bonding.展开更多
An efficient approach was proposed for discriminating shadows from moving objects. In the background subtraction stage, moving objects were extracted. Then, the initial classification for moving shadow pixels and fore...An efficient approach was proposed for discriminating shadows from moving objects. In the background subtraction stage, moving objects were extracted. Then, the initial classification for moving shadow pixels and foreground object pixels was performed by using color invariant features. In the shadow model learning stage, instead of a single Gaussian distribution, it was assumed that the density function computed on the values of chromaticity difference or bright difference, can be modeled as a mixture of Gaussian consisting of two density functions. Meanwhile, the Gaussian parameter estimation was performed by using EM algorithm. The estimates were used to obtain shadow mask according to two constraints. Finally, experiments were carried out. The visual experiment results confirm the effectiveness of proposed method. Quantitative results in terms of the shadow detection rate and the shadow discrimination rate(the maximum values are 85.79% and 97.56%, respectively) show that the proposed approach achieves a satisfying result with post-processing step.展开更多
基金The National Natural Science Foundation of China(11701373)The Shanghai Sailing Program(17YF1413800)。
文摘this paper,we introduce the L_(p) Shephard problem on entropy of log-concave functions,a comparison problem:whether ∏_(p)f≤∏_(p)g implies that Ent(f)≥Ent(g),for 1≤p<n,and Ent(f)≤Ent(g),for n<p,where ∏_(p)f is the L_(p) projection body of a log-concave function f.Our results give a partial answer to this problem.
基金This work was supported by the National Natural Science Foundation of China (No.20903027), the Natural Science Foundation of Guangdong Province (No.9452402301001941), and the Doctor Startup Fund of Guangdong Medical College (No.XB0802 and No.XB0804).
文摘The hydrolysis process of Ru(III) complex (HL)[trans-RuC14L(dmso-S)] (L=l-methyl-l,2,4- triazole and dmso-S=S-dimethyl sulfoxide) (1), a potential antitumor complex similar to the well-known antitumor agent (Him)[trans-RuC14 (dmso-S)(im)] (NAMI-A, im=imidazole), was investigated using density functional theory combined with the conductor-like polarizable continuum model approach. Tile structural characteristics and the detailed energy profiles for the hydrolysis processes of this complex were obtained. For the first hydrolysis step, complex 1 has slightly higher barrier energies than the reported anticancer drug NAMI-A, and the result is in accordance with the experimental evidence indicating larger half-life for complex 1. For the second hydrolysis step, the formation of cis-diaqua species is thermodynamic preferred to that of trans isomers. In addition, on the basis of the analysis of electronic characteristics of species in the hydrolysis process, the trend in nucleophilic attack abilities of hydrolysis products by pertinent biomolecules is revealed and predicted.
文摘The effective smoke preventing installation should have the functions such as absolute smoke insulation, going into and coming off the smoke preventing place freely, no confinement of sight. The smoke preventing air curtain is the most effective. Based on the previous researches done by others, the flow field is theoretically analyzed and the calculating method for the smoke preventing air curtain of high rise buildings is inferred by means of mathematics in this paper.
文摘Using the Nevanlinna theory of the value distribution of meromorphic functions, we investigate the existence problem of admissible algebroid solutions of generalized complex algebraic differential equations and obtain some results.
文摘The formulas for atomic displacements and Hamiltonian of a thin crystal film in phonon occupation number representation are obtained with the aid of Green's function theory. On the basis of these results, the formulas for thermal expansion coefficients of the thin crystal film are derived with the perturbation theory, and the numerical calculations are carried out. The results show that the thinner films have larger thermal expansion coefficients.
基金Supported by the National Natural Science Foundation of China (20821004 20990224) the National Basic Research Program of China (2007CB714300)
文摘The rising behavior of single bubbles has been investigated in six systems with different viscosity and Morton number(Mo) from 3.21×10-11 to 163. Bubbles with maximum equivalent diameter of up to 16 mm were investigated. The bubble Reynolds number(Re) ranged from 0.02 to 1200 covering 3 regimes in which two func-tions are obtained relating the drag coefficient,CD,with Re and Mo. It has been found that in the high Reynolds number regime the drag coefficient increases until the Reynolds number of about 1200. The classic expression of Jamialahmadi(1994) is improved and extended to high viscosity liquids. A new relationship for the aspect ratio of deformed bubbles in terms of Re,the Etvs number and Mo,applicable to a wide range of system properties,espe-cially in high viscosity liquids,is also suggested.
基金Supported by the National Science Foundation of China(10171118)Supported by the Science Foundation of University of Science and Technology of Henan(2003ZY06)
文摘A filled function with adjustable parameters is suggested in this paper for finding a global minimum point of a general class of nonlinear programming problems with a bounded and closed domain. This function has two adjustable parameters. We will discuss the properties of the proposed filled function. Conditions on this function and on the values of parameters are given so that the constructed function has the desired properties of traditional filled function.
文摘We discuss estimates for the rate of convergence of the method of successive subspace corrections in terms of condition number estimate for the method of parallel subspace corrections.We provide upper bounds and in a special case,a lower bound for preconditioners defined via the method of successive subspace corrections.
基金Supported by the Natural Science Foundation of Henan Educational Committee(2003110005)Supported by the Natural Science Foundation of Henan University(XK02069)
文摘Applying the integral a priori estimates method, the existence and uniqueness ofthe global solution for the dissipative Hasegawa-Mima equation with initial periodic bound-ary condition was proved.
文摘To solve the problem in dispute about a Schrdinger equation with time-depenelent mass and frequency, by means of a simple transformation of variables, the time-dependent Schrdinger equation is transformed into the time-independent one first and then an exact wave function can be found.
基金This work was supported by the National Basic Research Program of China (No.2010CB923301) and the National Natural Science Foundation of China (No.11327404, No.20973160, No.10904136). The au- thors also gratefully acknowledge Professor C. E. Brion from the University of British Columbia (UBC) in Canada for giving us the HEMS programs.
文摘The binding energy spectra and electron momentum distributions for the outer valence molecular orbitals of gaseous 2-fluoroethanol have been measured by the non-coplanar asym- metric (e, 2e) spectrometer at impact energy of 2.5 keV plus binding energy. The quantitative calculations of the ionization energies and the relevant molecular orbitals have been carried out by using the outer-valence Green's function method and the density functional theory with B3LYP hybrid functional. The observed ionization bands in binding energy spectra, as well as the previous photoelectron spectrum which was not assigned, have been assigned for the first time through the comparison between experiment and theory. In general, the the- oretical electron momentum distributions calculated by B3LYP method with aug-cc-pVTZ basis set are in line with the experimental ones when taking into account the Boltzmann- weighted thermo-statistical abundances of five conformers of 2-fluoroethanol.
基金Supported by the National Science Foundation of China (No. 29736170, No. 20025618) and the Doctoral Research Foundation by Ministry of Education of China (No. 1999025103). Additional support provided by the Visiting Researcher Foundation of University La
文摘Covering a wide range of bulk densities, density profiles for hard-sphere chain fluids (HSCFs) with chain length of 3,4,8,20,32 and 64 confined between two surfaces were obtained by Monte Carlo simulations using extended continuum configurational-bias (ECCB) method. It is shown that the enrichment of beads near surfaces is happened at high densities due to the bulk packing effect, on the contrary, the depletion is revealed at low densities owing to the configurational entropic contribution. Comparisons with those calculated by density functional theory presented by Cai et al. indicate that the agreement between simulations and predictions is good. Compressibility factors of bulk HSCFs calculated using volume fractions at surfaces were also used to test the reliability of various equations of state of HSCFs by different authors.
基金ACKNOWLEDGMENTS This work was supported by the National Natural Science Foundation of China (No.10804001, No.10674002, and No.20773024), the National High Technology Research and Development Program of China (863 Program) (No.2006AA09Z243-3), and the Program for Innovative Research Team in Anhui Normal University of China.
文摘Low-lying electronic states of the lutetium dimer (Lu2) were studied based on density functional theory (DFT) using ten different density functionals together with three different relativistic effective core pseudopotentials (RECPs). Relative state energies, equilibrium bond lengths, vibrational frequencies, and ground-state dissociation energies were evaluated. It was found that the ground state is a triplet state irrespective of the type of functional and RECP used. This result is in contrast with a previous DFT calculation which gave a singlet ground state for Lu2. By comparing with the high-level ab initio and available experimental results, it is evident that the hybrid-GGA functionals combined with the Stuttgart smallcore RECP yield the best overall agreement for the properties under study. The effects of Hartree-Fock exchange in B3LYP functional on the calculated bond length and dissociation energy of the ground state were examined, and rationalized in terms of 5d participation in Lu-Lu covalent bonding.
基金Project(50805023)supported by the National Natural Science Foundation of ChinaProject(BA2010093)supported by the Special Fund of Jiangsu Province for the Transformation of Scientific and Technological Achievements,ChinaProject(2008144)supported by the Hexa-type Elites Peak Program of Jiangsu Province,China
文摘An efficient approach was proposed for discriminating shadows from moving objects. In the background subtraction stage, moving objects were extracted. Then, the initial classification for moving shadow pixels and foreground object pixels was performed by using color invariant features. In the shadow model learning stage, instead of a single Gaussian distribution, it was assumed that the density function computed on the values of chromaticity difference or bright difference, can be modeled as a mixture of Gaussian consisting of two density functions. Meanwhile, the Gaussian parameter estimation was performed by using EM algorithm. The estimates were used to obtain shadow mask according to two constraints. Finally, experiments were carried out. The visual experiment results confirm the effectiveness of proposed method. Quantitative results in terms of the shadow detection rate and the shadow discrimination rate(the maximum values are 85.79% and 97.56%, respectively) show that the proposed approach achieves a satisfying result with post-processing step.