Since entering the era of Industry 4.0,the concept of Healthcare 4.0 has also been put forward and explored by researchers.How to use Information Technology(IT)to better serve people’s healthcare is one of the most f...Since entering the era of Industry 4.0,the concept of Healthcare 4.0 has also been put forward and explored by researchers.How to use Information Technology(IT)to better serve people’s healthcare is one of the most featured emerging directions in the academic circle.An important field of Healthcare 4.0 research is the reliability engineering of healthcare service.Because healthcare systems often affect the health and even life of their users,developers must be very cautious in the design,development,and operation of these healthcare systems and services.The problems to be solved include the reliability of business process,system functions,and personal healthcare data.The Functional Resonance Analysis Method(FRAM)has been applied in reliability engineering for safety-critical systems in available studies,using both qualitative and quantitative approaches.However,the method has not been applied in the field of digital healthcare services development.Therefore,to narrow the gap,we present in this paper a semi-quantitative functional resonance analysis method to develop reliable healthcare services for diabetics.Moreover,this paper has tried to improve the reliability design of the service-oriented architecture(SOA)of traditional insulin pump therapy by system thinking.展开更多
The safety of risers in hang-off states is a vital challenge in offshore oil and gas engineering.A new hang-off system installed on top of risers is proposed for improving the security of risers.This approach leads to...The safety of risers in hang-off states is a vital challenge in offshore oil and gas engineering.A new hang-off system installed on top of risers is proposed for improving the security of risers.This approach leads to a challenging problem:coupling the dynamics of risers with a new hang-off system combined with multiple structures and complex constraints.To accurately analyze the dynamic responses of the coupled system,a coupled dynamic model is established based on the Euler-Bernoulli beam-column theory and penalty function method.A comprehensive analysis method is proposed for coupled dynamic analysis by combining the finite element method and the Newmarkβmethod.An analysis program is also developed in MATLAB for dynamic simulation.The simulation results show that the dynamic performances of the risers at the top part are significantly improved by the new hang-off system,especially the novel design,which includes the centralizer and articulation joint.The bending moment and lateral deformation of the risers at the top part decrease,while the hang-off joint experiences a great bending moment at the bottom of the lateral restraint area which requires particular attention in design and application.The platform navigation speed range under the safety limits of risers expands with the new hang-off system in use.展开更多
Accurately approximating higher order derivatives is an inherently difficult problem. It is shown that a random variable shape parameter strategy can improve the accuracy of approximating higher order derivatives with...Accurately approximating higher order derivatives is an inherently difficult problem. It is shown that a random variable shape parameter strategy can improve the accuracy of approximating higher order derivatives with Radial Basis Function methods. The method is used to solve fourth order boundary value problems. The use and location of ghost points are examined in order to enforce the extra boundary conditions that are necessary to make a fourth-order problem well posed. The use of ghost points versus solving an overdetermined linear system via least squares is studied. For a general fourth-order boundary value problem, the recommended approach is to either use one of two novel sets of ghost centers introduced here or else to use a least squares approach. When using either ghost centers or least squares, the random variable shape parameter strategy results in significantly better accuracy than when a constant shape parameter is used.展开更多
Using density functional methods,some properties were studied such as the energies and compositions of frontier molecular orbitals and the atomic charges,which are related to the reactive behavior of thioureas contain...Using density functional methods,some properties were studied such as the energies and compositions of frontier molecular orbitals and the atomic charges,which are related to the reactive behavior of thioureas containing different N-substituent groupings.The calculation results indicate that the N-substituent groupings have significant effect on the flotation performance of thiourea collectors.The order of electron-donating ability is N-propyl-N'-benzyl-thiourea(PBZYTU)>N-propyl-N'-ethyl-thiourea (PETU)>N-propyl-N'-allyl-thiourea(PALTU)>>N-propyl-N'-acetyl-thiourea(PACTU)>N-propyl-N'-ethoxycarbonyl-thiourea (PECTU)>N-propyl-N'-benzoyl-thiourea(PBZOYTU),and the order of feedback-electron-accepting ability is PBZOYTU> PACTU>PECTU>>PALTU>PETU>PBZYTU.This implies that PBZOYTU,PACTU or PECTU can react with copper atoms having(t2g) 6 (eg) 3Cu(II)or t 6e 4Cu(I)configuration on the surfaces of copper sulfide minerals through normal covalent bond and back donation covalent bond,and exhibit excellently collecting performance for copper sulfide minerals.These are consistent with the experimental data reported in the literatures.展开更多
The electronic and physical properties of PtmPdn (m+n≤5) metal clusters and their interactions with dioxygen have been studied by using hybrid density functional B3LYP method. The total energies, atomization energ...The electronic and physical properties of PtmPdn (m+n≤5) metal clusters and their interactions with dioxygen have been studied by using hybrid density functional B3LYP method. The total energies, atomization energies, vibration frequencies, and charge distributions were reported. The Pt-Pt bridge site modified by Pd atoms was found to be the most active site for the dissociation of dioxygen, which was mainly due to the change of electronic structures of the Pt atoms in bimetallic Pt-Pd clusters.展开更多
A meshless numerical model is developed for analyzing transient heat conductions in three-dimensional (3D) axisymmetric continuously nonhomogeneous functionally graded materials (FGMs). Axial symmetry of geometry ...A meshless numerical model is developed for analyzing transient heat conductions in three-dimensional (3D) axisymmetric continuously nonhomogeneous functionally graded materials (FGMs). Axial symmetry of geometry and boundary conditions reduces the original 3D initial-boundary value problem into a two-dimensional (2D) problem. Local weak forms are derived for small polygonal sub-domains which surround nodal points distributed over the cross section. In order to simplify the treatment of the essential boundary conditions, spatial variations of the temperature and heat flux at discrete time instants are interpolated by the natural neighbor interpolation. Moreover, the using of three-node triangular finite element method (FEM) shape functions as test functions reduces the orders of integrands involved in domain integrals. The semi-discrete heat conduction equation is solved numerically with the traditional two-point difference technique in the time domain. Two numerical examples are investigated and excellent results are obtained, demonstrating the potential application of the proposed approach.展开更多
We have systematically investigated the geometrical structures, relative stabilities and electronic properties of small bimetallic AunBe (n = 1, 2, . .. 8) clusters using a density functional method at BP86 level. T...We have systematically investigated the geometrical structures, relative stabilities and electronic properties of small bimetallic AunBe (n = 1, 2, . .. 8) clusters using a density functional method at BP86 level. The optimized geometries reveal that the impurity beryllium atom dramatically affects the structures of the Aun clusters. The averaged binding energies, fragmentation energies, second-order difference of energies, the highest occupied-lowest unoccupied molecular orbital energy gaps and chemical hardness are investigated, All of them exhibit a pronounced odd-even alternation, manifesting that the clusters with even number of gold atoms possess relatively higher stabilities. Especially, the linear Au2Be cluster is magic cluster with the most stable chemical stability. According to the natural population analysis, it is found that charge-transferring direction between Au atom and Be atom changes at the size of n = 4.展开更多
The Ira (n=1-13) clusters are studied using the relativistic density functional method with generalized gradient approximation. A series of low-lying structures with different spin multiplicities have been considere...The Ira (n=1-13) clusters are studied using the relativistic density functional method with generalized gradient approximation. A series of low-lying structures with different spin multiplicities have been considered. It is found that all the lowest-energy Ira (n=4-13) geometries prefer non-compact structures rather than compact structure growth pattern. And the cube structure is a very stable cell for the lowest-energy Ira (n 〉 8) clusters. The second-order difference of energy, the vertical ionization potentials, the electron affinities and the atomic average magnetic moments for the lowest-energy Ira geometries all show odd even alternative behaviours.展开更多
The inverse problems of wave equation to recover unknown space-time dependent functions of wave speed and wave source are solved in this paper, without needing of initial conditions and no internal measurement of data...The inverse problems of wave equation to recover unknown space-time dependent functions of wave speed and wave source are solved in this paper, without needing of initial conditions and no internal measurement of data being required. After a homogenization technique, a sequence of spatial boundary functions at least the fourth-order polynomials are derived, which satisfy the homogeneous boundary conditions. The boundary functions and the zero element constitute a linear space, and then a new boundary functional is proved in the linear space, of which the energy is preserved for each dynamic energetic boundary function. The linear systems and iterative algorithms used to recover unknown wave speed and wave source functions with the dynamic energetic boundary functions as bases are developed, which converge fast at each time step. The input data are parsimonious, merely the measured boundary strains and the boundary values and slopes of unknown functions to be recovered. The accuracy and robustness of present methods are confirmed by comparing exact solutions with estimated results under large noises up to 20%.展开更多
The crack tip fields are investigated for a cracked functionally graded material (FGM) plate by Reissner's linear plate theory with the consideration of the transverse shear deformation generated by bending. The el...The crack tip fields are investigated for a cracked functionally graded material (FGM) plate by Reissner's linear plate theory with the consideration of the transverse shear deformation generated by bending. The elastic modulus and Poisson's ratio of the functionally graded plates are assumed to vary continuously through the coordinate y, according to a linear law and a constant, respectively. The governing equations, i.e., the 6th-order partial differential equations with variable coefficients, are derived in the polar coordinate system based on Reissner's plate theory. Furthermore, the generalized displacements are treated in a separation-of-variable form, and the higher-order crack tip fields of the cracked FGM plate are obtained by the eigen-expansion method. It is found that the analytic solutions degenerate to the corresponding fields of the isotropic homogeneous plate with Reissner's effect when the in-homogeneity parameter approaches zero.展开更多
Single-pulse chaos are studied for a functionally graded materials rectangular plate. By means of the global perturbation method, explicit conditions for the existence of a SiZnikov-type homoclinic orbit are obtained ...Single-pulse chaos are studied for a functionally graded materials rectangular plate. By means of the global perturbation method, explicit conditions for the existence of a SiZnikov-type homoclinic orbit are obtained for this sys- tem, which suggests that chaos are likely to take place. Then, numerical simulations are given to test the analytical predic- tions. And from our analysis, when the chaotic motion oc- curs, there are a quasi-period motion in a two-dimensional subspace and chaos in another two-dimensional supplemen- tary subspace.展开更多
The possible exotic nuclear properties in the neutron-rich Ca,Ni,Zr,and Sn isotopes are examined with the continuum Skyrme Hartree-Fock-Bogoliubov theory in the framework of the Green’s function method.The pairing co...The possible exotic nuclear properties in the neutron-rich Ca,Ni,Zr,and Sn isotopes are examined with the continuum Skyrme Hartree-Fock-Bogoliubov theory in the framework of the Green’s function method.The pairing correlation,the couplings with the continuum,and the blocking effects for the unpaired nucleon in odd-A nuclei are properly treated.The Skyrme interaction SLy4 is adopted for the ph channel and the density-dependentinteraction is adopted for the pp chan-nel,which well reproduce the experimental two-neutron separation energies S_(2n)and one-neutron separation energies Sn.It is found that the criterion S_(n)>0 predicts a neutron drip line with neutron numbers much smaller than those for S_(2n)>0.Owing to the unpaired odd neutron,the neutron pairing energies−E_(pair)in odd-A nuclei are much lower than those in the neighbor-ing even-even nuclei.By investigating the single-particle structures,the possible halo structures in the neutron-rich Ca,Ni,and Sn isotopes are predicted,where sharp increases in the root-mean-square(rms)radii with significant deviations from the traditional rA^(1∕3)rule and diffuse spatial density distributions are observed.Analyzing the contributions of various partial waves to the total neutron densityρlj(r)∕ρ(r)reveals that the orbitals located around the Fermi surface-particularly those with small angular momenta-significantly affect the extended nuclear density and large rms radii.The number of neutrons Nλ(N_(0))occupying above the Fermi surfacen(continuum threshold)is discussed,whose evolution as a function of the mass number A in each isotope is consistent with that of the pairing energy,supporting the key role of the pairing correlation in halo phenomena.展开更多
The multiple patterns of internal solitary wave interactions(ISWI)are a complex oceanic phenomenon.Satellite remote sensing techniques indirectly detect these ISWI,but do not provide information on their detailed stru...The multiple patterns of internal solitary wave interactions(ISWI)are a complex oceanic phenomenon.Satellite remote sensing techniques indirectly detect these ISWI,but do not provide information on their detailed structure and dynamics.Recently,the authors considered a three-layer fluid with shear flow and developed a(2+1)Kadomtsev-Petviashvili(KP)model that is capable of describing five types of oceanic ISWI,including O-type,P-type,TO-type,TP-type,and Y-shaped.Deep learning models,particularly physics-informed neural networks(PINN),are widely used in the field of fluids and internal solitary waves.However,the authors find that the amplitude of internal solitary waves is much smaller than the wavelength and the ISWI occur at relatively large spatial scales,and these characteristics lead to an imbalance in the loss function of the PINN model.To solve this problem,the authors introduce two weighted loss function methods,the fixed weighing and the adaptive weighting methods,to improve the PINN model.This successfully simulated the detailed structure and dynamics of ISWI,with simulation results corresponding to the satellite images.In particular,the adaptive weighting method can automatically update the weights of different terms in the loss function and outperforms the fixed weighting method in terms of generalization ability.展开更多
The problem of three-dimensional(3D) acoustic scattering in a complex medium has aroused considerable interest of researchers for many years. An ultrasonic scattered field calculating technique is proposed to study th...The problem of three-dimensional(3D) acoustic scattering in a complex medium has aroused considerable interest of researchers for many years. An ultrasonic scattered field calculating technique is proposed to study the scattering echo from strongly scattered materials in a two-layer medium in this work. Firstly, with the high frequency stationary phase method,the Green's function of two-layer fluid media is derived. And then based on the idea of integral equation discretization,the Green's function method is extended to two-layer fluid media to derive the scattering field expression of defects in a complex medium. With this method, the scattering field of 3D defect in a two-layer medium is calculated and the characteristics of received echoes are studied. The results show that this method is able to solve the scattering P wave field of 3D defect with arbitrary shape at any scattering intensity in two-layer media. Considering the circumstance of waterimmersion ultrasonic non-destructive test(NDT), the scattering sound field characteristics of different types of defects are analyzed by simulation, which will help to optimize the detection scheme and corresponding imaging method in practice so as to improve the detection quality.展开更多
To screen new maize(Zea mays L.)varieties suitable for food and fodder dual-purpose in Du'an Yao Autonomous County of Guangxi,the agronomic characters,yield and quality indexes of 12 new maize varieties were measu...To screen new maize(Zea mays L.)varieties suitable for food and fodder dual-purpose in Du'an Yao Autonomous County of Guangxi,the agronomic characters,yield and quality indexes of 12 new maize varieties were measured,and the correlation between various indexes were analyzed,and the comprehensive performance of tested varieties was evaluated by membership function method.The results showed that Guidan 671 had the highest grain yield and whole-plant biomass at 10908 and 49965 kg/hm^(2),respectively,and the second was Zhaoyu 215 with a grain yield and whole-plant biomass of 10086 and 47175 kg/hm^(2),respectively.Grain yield was highly significantly positively correlated with ear diameter and 100-grain weight(P<0.01),and significantly correlated with whole-plant biomass,starch content,ear length and grain number per row(P<0.05);and the whole-plant biomass was highly significantly correlated with the number of grains per row(P<0.01),and significantly correlated with starch content,panicle length,plant height and panicle height(P<0.05).The comprehensive performance scores of the tested varieties from high to low were Guidan 671,Zhaoyu 215,Guidan 669,Guidan 6208,Guidan 666,Guidan 6205,Guidan 660,Guidan 6203,Guidan 6206,Guidan 162,Guidan 668 and Guidan 673.According to the values of membership function and combined with various indexes,Guidan 671 and Zhaoyu 215 had good comprehensive performance,and could be used as the first choice for food and fodder dual-purpose maize varieties in Du'an Yao Autonomous County.展开更多
Results of analytical studies of the physical properties of the function and number of empirical macrohardness based on the standard experimental force diagram of kinetic macroindentation by a sphere.An analytical com...Results of analytical studies of the physical properties of the function and number of empirical macrohardness based on the standard experimental force diagram of kinetic macroindentation by a sphere.An analytical comparison method and a criterion for the similarity of the physical and empirical macrohardness of a material are proposed.The physical properties of the hardness measurement process using the Calvert-Johnson method are shown.The physical reasons for the size effect when measuring macrohardness are considered.The universal physical unit and standard of macrohardness of kinetic macroindentation by a sphere is substantiated.展开更多
In order to explore the effect mechanism of solvent on the synthesis of the metal organic framework materials, the microscopic interaction between solvent and framework and the effects of N,N-dimethyl-formamide(DMF) o...In order to explore the effect mechanism of solvent on the synthesis of the metal organic framework materials, the microscopic interaction between solvent and framework and the effects of N,N-dimethyl-formamide(DMF) or N-methyl- 2-pyrrolidone(NMP) on solvothermal synthesis of [Zn4O(BDC)3]8 were investigated through a combined DFT and experimental study. XRD and SEM showed that the absorbability of NMP in the pore of [Zn4O(BDC)3]8 was weaker than that of DMF. The thermal decomposition temperature of [Zn4O(BDC)3]8 synthesized in DMF was higher than that in NMP according to TG and FT-IR. In addition, the nitrogen sorption isotherms indicated that NMP improved gas sorption property of [Zn4O(BDC)3]8. The COSMO optimized calculations indicated that the total energy of Zn4O(BDC)3 in NMP was higher than that in DMF, and compared with non-solvent system, the charge of zinc atoms decreased and the charge value was the smallest in NMP. Furthermore, the interaction of DMF, NMP or DEF in [Zn4O(BDC)3]8 crystal model was calculated by DFT method. The results suggested that NMP should be easier to be removed from pore of materials than DMF from the point of view of energy state. It can be concluded that NMP was a favorable solvent to synthesize [Zn4O(BDC)3]8 and the microscopic mechanism was that the binding force between Zn4O(BDC)3 and NMP molecule was weaker than DMF.展开更多
Aim The general arbitrary cracked problem in an elastic plane was discussed. Methods For the purpose of acquiring the solution of the problem, a new formulation on the problem was proposed. Compared with the classic...Aim The general arbitrary cracked problem in an elastic plane was discussed. Methods For the purpose of acquiring the solution of the problem, a new formulation on the problem was proposed. Compared with the classical plane elastic crack model, only the known conditions were revised in the new formulation, which are greatly convenient to solve the problem, and no other new condition was given. Results and Conclusion The general exact analytic solution is given here based on the formulation though the problem is very complicated. Furthermore, the stress intensity factors K Ⅰ, K Ⅱ of the problem are also given.展开更多
Launch barge is an effective tool for transporting ship segments from one place to another in shipyards. During shifting of segments onto a barge, the slideway on the barge's deck must be adjusted to maintain the sam...Launch barge is an effective tool for transporting ship segments from one place to another in shipyards. During shifting of segments onto a barge, the slideway on the barge's deck must be adjusted to maintain the same level as the wharf and also the barge must be kept level by adjusting the water in the ballast tanks. When to open the adjusting valves is an important factor influencing the barge's trim during the water-adjustment process. Because these adjustments are complex a mathematical model was formulated,after analyzing the characteristics of the process of moving the segments onto the barges deck, and considering the effects of this movement's speed and variations in tidal levels during the move. Then the model was solved by the penalty function method, the grid method, and improved simulated annealing, respectively. The best optimization model and its corresponding solution were then determined. Finally, it was proven that the model and the method adopted are correct and suitable, by calculating and analysing an example.展开更多
In this paper, we study linear static Stac kelberg problems with multiple leaders-followers in which each decision maker wi thin his group may or may not cooperate. An exact penalty function method is dev eloped. The ...In this paper, we study linear static Stac kelberg problems with multiple leaders-followers in which each decision maker wi thin his group may or may not cooperate. An exact penalty function method is dev eloped. The duality gaps of the followers’ problems are appended to the leaders’ objective function with a penalty. The structure leads to the decomposition of the composite problem into a series of linear programmings leading to an efficie nt algorithm. We prove that local optimality is reached for an exact penalty fun ction and illustrate the method with three examples. The model in this paper ext ends the stackelberg leader-follower model.展开更多
文摘Since entering the era of Industry 4.0,the concept of Healthcare 4.0 has also been put forward and explored by researchers.How to use Information Technology(IT)to better serve people’s healthcare is one of the most featured emerging directions in the academic circle.An important field of Healthcare 4.0 research is the reliability engineering of healthcare service.Because healthcare systems often affect the health and even life of their users,developers must be very cautious in the design,development,and operation of these healthcare systems and services.The problems to be solved include the reliability of business process,system functions,and personal healthcare data.The Functional Resonance Analysis Method(FRAM)has been applied in reliability engineering for safety-critical systems in available studies,using both qualitative and quantitative approaches.However,the method has not been applied in the field of digital healthcare services development.Therefore,to narrow the gap,we present in this paper a semi-quantitative functional resonance analysis method to develop reliable healthcare services for diabetics.Moreover,this paper has tried to improve the reliability design of the service-oriented architecture(SOA)of traditional insulin pump therapy by system thinking.
基金financially supported by the National Natural Science Foundation of China(Grant Nos.52271300,52071337,and 51809279)the National Key Research and Development Program of China(Grant No.2022YFC2806501)the High-tech Ship Research Projects Sponsored by MIIT(Grant No.CBG2N21-4-2-5).
文摘The safety of risers in hang-off states is a vital challenge in offshore oil and gas engineering.A new hang-off system installed on top of risers is proposed for improving the security of risers.This approach leads to a challenging problem:coupling the dynamics of risers with a new hang-off system combined with multiple structures and complex constraints.To accurately analyze the dynamic responses of the coupled system,a coupled dynamic model is established based on the Euler-Bernoulli beam-column theory and penalty function method.A comprehensive analysis method is proposed for coupled dynamic analysis by combining the finite element method and the Newmarkβmethod.An analysis program is also developed in MATLAB for dynamic simulation.The simulation results show that the dynamic performances of the risers at the top part are significantly improved by the new hang-off system,especially the novel design,which includes the centralizer and articulation joint.The bending moment and lateral deformation of the risers at the top part decrease,while the hang-off joint experiences a great bending moment at the bottom of the lateral restraint area which requires particular attention in design and application.The platform navigation speed range under the safety limits of risers expands with the new hang-off system in use.
文摘Accurately approximating higher order derivatives is an inherently difficult problem. It is shown that a random variable shape parameter strategy can improve the accuracy of approximating higher order derivatives with Radial Basis Function methods. The method is used to solve fourth order boundary value problems. The use and location of ghost points are examined in order to enforce the extra boundary conditions that are necessary to make a fourth-order problem well posed. The use of ghost points versus solving an overdetermined linear system via least squares is studied. For a general fourth-order boundary value problem, the recommended approach is to either use one of two novel sets of ghost centers introduced here or else to use a least squares approach. When using either ghost centers or least squares, the random variable shape parameter strategy results in significantly better accuracy than when a constant shape parameter is used.
基金Project(50604016)supported by the National Natural Science Foundation of ChinaProject(2007B52)supported by the Foundation for the Author of National Excellent Doctoral Dissertation of China+3 种基金Project(NCET-08-0568)supported by the Program for New Century Excellent Talents in Chinese UniversityProject(2007CB613602)supported by the National Basic Research Program of ChinaProject(2007AA06Z122)supported by the National High-tech Research and Development Program of ChinaProject(2007BAB22B01)supported by the National Science and Technology Support Project of China
文摘Using density functional methods,some properties were studied such as the energies and compositions of frontier molecular orbitals and the atomic charges,which are related to the reactive behavior of thioureas containing different N-substituent groupings.The calculation results indicate that the N-substituent groupings have significant effect on the flotation performance of thiourea collectors.The order of electron-donating ability is N-propyl-N'-benzyl-thiourea(PBZYTU)>N-propyl-N'-ethyl-thiourea (PETU)>N-propyl-N'-allyl-thiourea(PALTU)>>N-propyl-N'-acetyl-thiourea(PACTU)>N-propyl-N'-ethoxycarbonyl-thiourea (PECTU)>N-propyl-N'-benzoyl-thiourea(PBZOYTU),and the order of feedback-electron-accepting ability is PBZOYTU> PACTU>PECTU>>PALTU>PETU>PBZYTU.This implies that PBZOYTU,PACTU or PECTU can react with copper atoms having(t2g) 6 (eg) 3Cu(II)or t 6e 4Cu(I)configuration on the surfaces of copper sulfide minerals through normal covalent bond and back donation covalent bond,and exhibit excellently collecting performance for copper sulfide minerals.These are consistent with the experimental data reported in the literatures.
基金This work was partly supported by Innovation Foundation of the Chinese Academy of Sciences (K2003D2), National Natural Science Foundation of China (No. 20173060), Hi-tech Research and Development Program of China (2003AA517040) and Knowledge Innovation Program of the Chinese Academy of Sciences (KGCX2-SW-310)
文摘The electronic and physical properties of PtmPdn (m+n≤5) metal clusters and their interactions with dioxygen have been studied by using hybrid density functional B3LYP method. The total energies, atomization energies, vibration frequencies, and charge distributions were reported. The Pt-Pt bridge site modified by Pd atoms was found to be the most active site for the dissociation of dioxygen, which was mainly due to the change of electronic structures of the Pt atoms in bimetallic Pt-Pd clusters.
基金Project supported by the National Natural Science Foundation of China(Grant No.11002054)the Foundation of Hunan Educational Committee(Grant No.12C0059).
文摘A meshless numerical model is developed for analyzing transient heat conductions in three-dimensional (3D) axisymmetric continuously nonhomogeneous functionally graded materials (FGMs). Axial symmetry of geometry and boundary conditions reduces the original 3D initial-boundary value problem into a two-dimensional (2D) problem. Local weak forms are derived for small polygonal sub-domains which surround nodal points distributed over the cross section. In order to simplify the treatment of the essential boundary conditions, spatial variations of the temperature and heat flux at discrete time instants are interpolated by the natural neighbor interpolation. Moreover, the using of three-node triangular finite element method (FEM) shape functions as test functions reduces the orders of integrands involved in domain integrals. The semi-discrete heat conduction equation is solved numerically with the traditional two-point difference technique in the time domain. Two numerical examples are investigated and excellent results are obtained, demonstrating the potential application of the proposed approach.
基金Project supported by the National Natural Science Foundation of China (Grant No. 10974138)
文摘We have systematically investigated the geometrical structures, relative stabilities and electronic properties of small bimetallic AunBe (n = 1, 2, . .. 8) clusters using a density functional method at BP86 level. The optimized geometries reveal that the impurity beryllium atom dramatically affects the structures of the Aun clusters. The averaged binding energies, fragmentation energies, second-order difference of energies, the highest occupied-lowest unoccupied molecular orbital energy gaps and chemical hardness are investigated, All of them exhibit a pronounced odd-even alternation, manifesting that the clusters with even number of gold atoms possess relatively higher stabilities. Especially, the linear Au2Be cluster is magic cluster with the most stable chemical stability. According to the natural population analysis, it is found that charge-transferring direction between Au atom and Be atom changes at the size of n = 4.
基金Project supported by the National Natural Science Foundation of China for Young Scientists(Grant No.10904123)the National Natural Science Foundation of China(Grant Nos.10774118 and 10974152)the Special Item Foundation of Educational Committee of Shaanxi Province,China(Grant No.08JK471)
文摘The Ira (n=1-13) clusters are studied using the relativistic density functional method with generalized gradient approximation. A series of low-lying structures with different spin multiplicities have been considered. It is found that all the lowest-energy Ira (n=4-13) geometries prefer non-compact structures rather than compact structure growth pattern. And the cube structure is a very stable cell for the lowest-energy Ira (n 〉 8) clusters. The second-order difference of energy, the vertical ionization potentials, the electron affinities and the atomic average magnetic moments for the lowest-energy Ira geometries all show odd even alternative behaviours.
文摘The inverse problems of wave equation to recover unknown space-time dependent functions of wave speed and wave source are solved in this paper, without needing of initial conditions and no internal measurement of data being required. After a homogenization technique, a sequence of spatial boundary functions at least the fourth-order polynomials are derived, which satisfy the homogeneous boundary conditions. The boundary functions and the zero element constitute a linear space, and then a new boundary functional is proved in the linear space, of which the energy is preserved for each dynamic energetic boundary function. The linear systems and iterative algorithms used to recover unknown wave speed and wave source functions with the dynamic energetic boundary functions as bases are developed, which converge fast at each time step. The input data are parsimonious, merely the measured boundary strains and the boundary values and slopes of unknown functions to be recovered. The accuracy and robustness of present methods are confirmed by comparing exact solutions with estimated results under large noises up to 20%.
基金supported by the National Natural Science Foundation of China(Nos.90305023 and 11172332)
文摘The crack tip fields are investigated for a cracked functionally graded material (FGM) plate by Reissner's linear plate theory with the consideration of the transverse shear deformation generated by bending. The elastic modulus and Poisson's ratio of the functionally graded plates are assumed to vary continuously through the coordinate y, according to a linear law and a constant, respectively. The governing equations, i.e., the 6th-order partial differential equations with variable coefficients, are derived in the polar coordinate system based on Reissner's plate theory. Furthermore, the generalized displacements are treated in a separation-of-variable form, and the higher-order crack tip fields of the cracked FGM plate are obtained by the eigen-expansion method. It is found that the analytic solutions degenerate to the corresponding fields of the isotropic homogeneous plate with Reissner's effect when the in-homogeneity parameter approaches zero.
基金supported by the National Natural Science Foundation of China(11172125,11202095 and 11201226)Natural Science Foundation of Henan,China(2009B110009,B2008-56 and 649106)
文摘Single-pulse chaos are studied for a functionally graded materials rectangular plate. By means of the global perturbation method, explicit conditions for the existence of a SiZnikov-type homoclinic orbit are obtained for this sys- tem, which suggests that chaos are likely to take place. Then, numerical simulations are given to test the analytical predic- tions. And from our analysis, when the chaotic motion oc- curs, there are a quasi-period motion in a two-dimensional subspace and chaos in another two-dimensional supplemen- tary subspace.
基金the National Natural Science Foundation of China(No.U2032141)the Open Project of Guangxi Key Laboratory of Nuclear Physics and Nuclear Technology(No.NLK2022-02)+4 种基金the Central Government Guidance Funds for Local Scientific and Technological Development,China(Guike ZY22096024)the Natural Science Foundation of Henan Province(No.202300410479)the Guizhou Provincial Science and Technology Projects(No.ZK[2022]203)the Foundation of Fundamental Research for Young Teachers of Zhengzhou University(No.JC202041041)the Physics Research and Development Program of Zhengzhou University(No.32410217).
文摘The possible exotic nuclear properties in the neutron-rich Ca,Ni,Zr,and Sn isotopes are examined with the continuum Skyrme Hartree-Fock-Bogoliubov theory in the framework of the Green’s function method.The pairing correlation,the couplings with the continuum,and the blocking effects for the unpaired nucleon in odd-A nuclei are properly treated.The Skyrme interaction SLy4 is adopted for the ph channel and the density-dependentinteraction is adopted for the pp chan-nel,which well reproduce the experimental two-neutron separation energies S_(2n)and one-neutron separation energies Sn.It is found that the criterion S_(n)>0 predicts a neutron drip line with neutron numbers much smaller than those for S_(2n)>0.Owing to the unpaired odd neutron,the neutron pairing energies−E_(pair)in odd-A nuclei are much lower than those in the neighbor-ing even-even nuclei.By investigating the single-particle structures,the possible halo structures in the neutron-rich Ca,Ni,and Sn isotopes are predicted,where sharp increases in the root-mean-square(rms)radii with significant deviations from the traditional rA^(1∕3)rule and diffuse spatial density distributions are observed.Analyzing the contributions of various partial waves to the total neutron densityρlj(r)∕ρ(r)reveals that the orbitals located around the Fermi surface-particularly those with small angular momenta-significantly affect the extended nuclear density and large rms radii.The number of neutrons Nλ(N_(0))occupying above the Fermi surfacen(continuum threshold)is discussed,whose evolution as a function of the mass number A in each isotope is consistent with that of the pairing energy,supporting the key role of the pairing correlation in halo phenomena.
基金supported by the National Natural Science Foundation of China under Grant Nos.12275085,12235007,and 12175069Science and Technology Commission of Shanghai Municipality under Grant Nos.21JC1402500 and 22DZ2229014.
文摘The multiple patterns of internal solitary wave interactions(ISWI)are a complex oceanic phenomenon.Satellite remote sensing techniques indirectly detect these ISWI,but do not provide information on their detailed structure and dynamics.Recently,the authors considered a three-layer fluid with shear flow and developed a(2+1)Kadomtsev-Petviashvili(KP)model that is capable of describing five types of oceanic ISWI,including O-type,P-type,TO-type,TP-type,and Y-shaped.Deep learning models,particularly physics-informed neural networks(PINN),are widely used in the field of fluids and internal solitary waves.However,the authors find that the amplitude of internal solitary waves is much smaller than the wavelength and the ISWI occur at relatively large spatial scales,and these characteristics lead to an imbalance in the loss function of the PINN model.To solve this problem,the authors introduce two weighted loss function methods,the fixed weighing and the adaptive weighting methods,to improve the PINN model.This successfully simulated the detailed structure and dynamics of ISWI,with simulation results corresponding to the satellite images.In particular,the adaptive weighting method can automatically update the weights of different terms in the loss function and outperforms the fixed weighting method in terms of generalization ability.
基金Project supported by the Key Research Program of Frontier Sciences, Chinese Academy of Sciences (Grant No. ZDBS-LY-7023)。
文摘The problem of three-dimensional(3D) acoustic scattering in a complex medium has aroused considerable interest of researchers for many years. An ultrasonic scattered field calculating technique is proposed to study the scattering echo from strongly scattered materials in a two-layer medium in this work. Firstly, with the high frequency stationary phase method,the Green's function of two-layer fluid media is derived. And then based on the idea of integral equation discretization,the Green's function method is extended to two-layer fluid media to derive the scattering field expression of defects in a complex medium. With this method, the scattering field of 3D defect in a two-layer medium is calculated and the characteristics of received echoes are studied. The results show that this method is able to solve the scattering P wave field of 3D defect with arbitrary shape at any scattering intensity in two-layer media. Considering the circumstance of waterimmersion ultrasonic non-destructive test(NDT), the scattering sound field characteristics of different types of defects are analyzed by simulation, which will help to optimize the detection scheme and corresponding imaging method in practice so as to improve the detection quality.
基金Supported by Guangxi Key Research and Development Plan(GK AB21196052)Guangxi Science and Technology Planning Project(GK AD20297117)+2 种基金Guangxi Science and Technology Major Project(GK AA17204064-4)Special Project of Basic Scientific Research Business of Guangxi Academy of Agricultural Sciences(GNK 2021YT015GNK 2020YM90)。
文摘To screen new maize(Zea mays L.)varieties suitable for food and fodder dual-purpose in Du'an Yao Autonomous County of Guangxi,the agronomic characters,yield and quality indexes of 12 new maize varieties were measured,and the correlation between various indexes were analyzed,and the comprehensive performance of tested varieties was evaluated by membership function method.The results showed that Guidan 671 had the highest grain yield and whole-plant biomass at 10908 and 49965 kg/hm^(2),respectively,and the second was Zhaoyu 215 with a grain yield and whole-plant biomass of 10086 and 47175 kg/hm^(2),respectively.Grain yield was highly significantly positively correlated with ear diameter and 100-grain weight(P<0.01),and significantly correlated with whole-plant biomass,starch content,ear length and grain number per row(P<0.05);and the whole-plant biomass was highly significantly correlated with the number of grains per row(P<0.01),and significantly correlated with starch content,panicle length,plant height and panicle height(P<0.05).The comprehensive performance scores of the tested varieties from high to low were Guidan 671,Zhaoyu 215,Guidan 669,Guidan 6208,Guidan 666,Guidan 6205,Guidan 660,Guidan 6203,Guidan 6206,Guidan 162,Guidan 668 and Guidan 673.According to the values of membership function and combined with various indexes,Guidan 671 and Zhaoyu 215 had good comprehensive performance,and could be used as the first choice for food and fodder dual-purpose maize varieties in Du'an Yao Autonomous County.
文摘Results of analytical studies of the physical properties of the function and number of empirical macrohardness based on the standard experimental force diagram of kinetic macroindentation by a sphere.An analytical comparison method and a criterion for the similarity of the physical and empirical macrohardness of a material are proposed.The physical properties of the hardness measurement process using the Calvert-Johnson method are shown.The physical reasons for the size effect when measuring macrohardness are considered.The universal physical unit and standard of macrohardness of kinetic macroindentation by a sphere is substantiated.
基金Project(51104185)supported by the National Natural Science Foundation of ChinaProject(2010QZZD003)supported by the Key Project of Central South University of Fundamental Research Funds for the Central Universities of China
文摘In order to explore the effect mechanism of solvent on the synthesis of the metal organic framework materials, the microscopic interaction between solvent and framework and the effects of N,N-dimethyl-formamide(DMF) or N-methyl- 2-pyrrolidone(NMP) on solvothermal synthesis of [Zn4O(BDC)3]8 were investigated through a combined DFT and experimental study. XRD and SEM showed that the absorbability of NMP in the pore of [Zn4O(BDC)3]8 was weaker than that of DMF. The thermal decomposition temperature of [Zn4O(BDC)3]8 synthesized in DMF was higher than that in NMP according to TG and FT-IR. In addition, the nitrogen sorption isotherms indicated that NMP improved gas sorption property of [Zn4O(BDC)3]8. The COSMO optimized calculations indicated that the total energy of Zn4O(BDC)3 in NMP was higher than that in DMF, and compared with non-solvent system, the charge of zinc atoms decreased and the charge value was the smallest in NMP. Furthermore, the interaction of DMF, NMP or DEF in [Zn4O(BDC)3]8 crystal model was calculated by DFT method. The results suggested that NMP should be easier to be removed from pore of materials than DMF from the point of view of energy state. It can be concluded that NMP was a favorable solvent to synthesize [Zn4O(BDC)3]8 and the microscopic mechanism was that the binding force between Zn4O(BDC)3 and NMP molecule was weaker than DMF.
文摘Aim The general arbitrary cracked problem in an elastic plane was discussed. Methods For the purpose of acquiring the solution of the problem, a new formulation on the problem was proposed. Compared with the classical plane elastic crack model, only the known conditions were revised in the new formulation, which are greatly convenient to solve the problem, and no other new condition was given. Results and Conclusion The general exact analytic solution is given here based on the formulation though the problem is very complicated. Furthermore, the stress intensity factors K Ⅰ, K Ⅱ of the problem are also given.
文摘Launch barge is an effective tool for transporting ship segments from one place to another in shipyards. During shifting of segments onto a barge, the slideway on the barge's deck must be adjusted to maintain the same level as the wharf and also the barge must be kept level by adjusting the water in the ballast tanks. When to open the adjusting valves is an important factor influencing the barge's trim during the water-adjustment process. Because these adjustments are complex a mathematical model was formulated,after analyzing the characteristics of the process of moving the segments onto the barges deck, and considering the effects of this movement's speed and variations in tidal levels during the move. Then the model was solved by the penalty function method, the grid method, and improved simulated annealing, respectively. The best optimization model and its corresponding solution were then determined. Finally, it was proven that the model and the method adopted are correct and suitable, by calculating and analysing an example.
文摘In this paper, we study linear static Stac kelberg problems with multiple leaders-followers in which each decision maker wi thin his group may or may not cooperate. An exact penalty function method is dev eloped. The duality gaps of the followers’ problems are appended to the leaders’ objective function with a penalty. The structure leads to the decomposition of the composite problem into a series of linear programmings leading to an efficie nt algorithm. We prove that local optimality is reached for an exact penalty fun ction and illustrate the method with three examples. The model in this paper ext ends the stackelberg leader-follower model.