Controlling charge polarity in the semiconducting single-walled carbon nanotubes(CNTs) by substitutional doping is a difficult work due to their extremely strong C–C bonding. In this work, an inner doping strategy is...Controlling charge polarity in the semiconducting single-walled carbon nanotubes(CNTs) by substitutional doping is a difficult work due to their extremely strong C–C bonding. In this work, an inner doping strategy is explored by filling CNTs with one-dimensional(1D)-TM_(6)Te_(6) nanowires to form TM_(6)Te_(6)@CNT-(16,0) 1D van der Waals heterostructures(1D-vd WHs). The systematic first-principles studies on the electronic properties of 1D-vd WHs show that N-type doping CNTs can be formed by charge transfer from TM_(6)Te_(6) nanowires to CNTs, without introducing additional carrier scattering.Particularly, contribution from both T M(e.g., Sc and Y) and Te atoms strengthens the charge transfer. The outside CNTs further confine the dispersion of Te-p orbitals in nanowires that deforms the C-π states at the bottom of the conduction band to quasi sp^(3) hybridization. Our study provides an inner doping strategy that can effectively confine the charge polarity of CNTs and further broaden its applications in some novel nano-devices.展开更多
Periodic photonic structures can provide rich modulation in propagation of light due to well-defined band structures.Especially near band edges,light localization and the effect of near-zero refractive index have attr...Periodic photonic structures can provide rich modulation in propagation of light due to well-defined band structures.Especially near band edges,light localization and the effect of near-zero refractive index have attracted wide attention.However,the practically fabricated structures can only have finite size,i.e.,limited numbers of periods,leading to changes of the light propagation modulation compared with infinite structures.Here,we study the size effect on light localization and near-zero refractive-index propagation near band edges in one-dimensional periodic structures.Near edges of the band gap,as the structure's size shrinks,the broadening of the band gap and the weakening of the light localization are discovered.When the size is small,an added layer on the surface will perform large modulation in the group velocity.Near the degenerate point with Dirac-like dispersion,the zero-refractive-index effects like the zero-phase difference and near-unity transmittance retain as the size changes,while absolute group velocity fluctuates when the size shrinks.展开更多
In this paper,the mechanical response of a one-dimensional(1D)hexagonal piezoelectric quasicrystal(PQC)thin film is analyzed under electric and temperature loads.Based on the Euler-Bernoulli beam theory,a theoretical ...In this paper,the mechanical response of a one-dimensional(1D)hexagonal piezoelectric quasicrystal(PQC)thin film is analyzed under electric and temperature loads.Based on the Euler-Bernoulli beam theory,a theoretical model is proposed,resulting in coupled governing integral equations that account for interfacial normal and shear stresses.To numerically solve these integral equations,an expansion method using orthogonal Chebyshev polynomials is employed.The results provide insights into the interfacial stresses,axial force,as well as axial and vertical deformations of the PQC film.Additionally,fracture criteria,including stress intensity factors,mode angles,and the J-integral,are evaluated.The solution is compared with the membrane theory,neglecting the normal stress and bending deformation.Finally,the effects of stiffness and aspect ratio on the PQC film are thoroughly discussed.This study serves as a valuable guide for controlling the mechanical response and conducting safety assessments of PQC film systems.展开更多
In this paper,we investigate the interfacial behavior of a thin,penny-shaped,one-dimensional(1D)hexagonal functionally graded(FG)piezoelectric quasicrystal(PQC)film bonded on a temperature-dependent elastic substrate ...In this paper,we investigate the interfacial behavior of a thin,penny-shaped,one-dimensional(1D)hexagonal functionally graded(FG)piezoelectric quasicrystal(PQC)film bonded on a temperature-dependent elastic substrate under thermal and electrical loads.The problem is modeled as axisymmetric based on the membrane theory,with the peeling stress and bending moment being disregarded.A potential theory method,combined with the Hankel transform technique,is utilized to derive the displacement field on the substrate surface.With perfect interfacial bonding assumption,an integral equation governing the phonon interfacial shear stress is formulated and numerically solved by the Chebyshev polynomials.Explicit expressions are derived for the interfacial shear stress,the internal stresses within the PQC film and the substrate,the axial strain,and the stress intensity factors(SIFs).Numerical simulations are conducted to investigate the effects of the film's aspect ratio,material inhomogeneity,material mismatch,and temperature-dependent material properties on its mechanical response.The results provide insights for the functional design and reliability assessment of FG PQC film/substrate systems.展开更多
One-dimensional(1D)Pt-based electrocatalysts demonstrate outstanding catalytic activities and stability toward the oxygen reduction reaction(ORR).Advances in three-dimensional(3D)ordered electrodes based on 1D Pt-base...One-dimensional(1D)Pt-based electrocatalysts demonstrate outstanding catalytic activities and stability toward the oxygen reduction reaction(ORR).Advances in three-dimensional(3D)ordered electrodes based on 1D Pt-based nanostructure arrays have revealed great potential for developing highperformance proton exchange membrane fuel cells(PEMFCs),in particular for addressing the mass transfer and durability challenges of Pt/C nanoparticle electrodes.This paper reviews recent progress in the field,with a focus on the 3D ordered electrodes based on self-standing Pt nanowire arrays.Nanostructured thin-film(NSTF)catalysts are discussed along with electrodes made from Pt-based nanoparticles deposited on arrays of polymer nanowires,and carbon and TiO2 nanotubes.Achievements on electrodes from Pt-based nanotube arrays are also reviewed.The importance of size,surface properties,and the distribution control of 1D catalyst nanostructures is indicated.Finally,challenges and future development opportunities are addressed regarding increasing electrochemical surface area(ECSA)and quantifying oxygen mass transport resistance for 1D nanostructure array electrodes.展开更多
The title compound,poly[N-[1-（3-pydidyl）ethylidene]-4H-1,2,4-triazol-4-amine sil-ver（I） tetrafluoroborate],[Ag（C9H9N5）（BF4）]n,is the result of complexing Ag cation with N-[1-（3-pydidyl）ethylidene]-4H-1,2,4-t...The title compound,poly[N-[1-（3-pydidyl）ethylidene]-4H-1,2,4-triazol-4-amine sil-ver（I） tetrafluoroborate],[Ag（C9H9N5）（BF4）]n,is the result of complexing Ag cation with N-[1-（3-pydidyl）ethylidene]-4H-1,2,4-triazol-4-amine （L）,and its crystal structure was determined by single-crystal X-ray diffraction.The crystal belongs to the monoclinic system,space group C2/c with a= 18.899（6）,b=9.882（2）,c=15.472（4）,β=120.158（3）°,V=2498.5（11）3,C9H9AgBF4N5,Mr= 381.89,Dc=2.031 g/cm3,μ（MoKα）=1.659 mm-1,F（000）=1488,Z=8,the final R=0.0441 and wR=0.0619 for 1094 observed reflections （I 〉 2σ（I））.In the structure,ligand L bridges the two metal Ag（I） centers in a bidentate fashion and each metal ion coordinates with two nitrogen atoms,forming a one-dimensional rectangular chain.The neighboring chains are connected by two additional Ag-N weak interactions into a 3D framework structure.The title compound shows blue fluorescence property at room temperature.展开更多
This paper presents a strategy for computation of super-convergent solutions of multi-dimensional problems in the finite element method （FEM） by recursive application of the one-dimensional （1D） element energy pro...This paper presents a strategy for computation of super-convergent solutions of multi-dimensional problems in the finite element method （FEM） by recursive application of the one-dimensional （1D） element energy projection （EEP） technique. The main idea is to conceptually treat multi-dimensional problems as generalized 1D problems, based on which the concepts of generalized 1D FEM and its consequent EEP formulae have been developed in a unified manner. Equipped with these concepts, multi-dimensional problems can be recursively discretized in one dimension at each step, until a fully discretized standard finite element （FE） model is reached. This conceptual dimension-by- dimension （D-by-D） discretization procedure is entirely equivalent to a full FE discretization. As a reverse D-by-D recovery procedure, by using the unified EEP formulae together with proper extraction of the generalized nodal solutions, super-convergent displacements and first derivatives for two-dimensional （2D） and three-dimensional （3D） problems can be obtained over the domain. Numerical examples of 3D Poisson＇s equation and elasticity problem are given to verify the feasibility and effectiveness of the proposed strategy.展开更多
The semi-analytical solutions to Fredlund and Hasan＇s one-dimensional （1D） consolidation for unsaturated soils with a semi-permeable drainage boundary are pre- seated. Two variables are introduced to transform the ...The semi-analytical solutions to Fredlund and Hasan＇s one-dimensional （1D） consolidation for unsaturated soils with a semi-permeable drainage boundary are pre- seated. Two variables are introduced to transform the two coupled governing equations of pore-water and pore-air pressures into an equivalent set of partial differential equations （PDFs）, which are easily solved by the Laplace transform method. Then, the pore-water pressure, pore-air pressure, and soil settlement are obtained in the Laplace domain. The Crump method is adopted to perform the inverse Laplace transform in order to obtain the semi-analytical solutions in the time domain. It is shown that the proposed solutions are more applicable to various types of boundary conditions and agree well with the existing solutions from the literature. Several numerical examples are provided to investigate the consolidation behavior of an unsaturated single-layer soil with single, double, mixed, and semi-permeable drainage boundaries. The changes in the pore-air and pore-water pres- sures and the soil settlement with the time factor at different values of the semi-permeable drainage boundary parameters are illustrated. In addition, parametric studies are con- ducted on the pore-air and pore-water pressures at different ratios （the air permeability coefficient to the water permeability coefficient） and depths.展开更多
This paper presents an analytical solution for one-dimensional consolidation of soft soil under some common types of cyclic loading such as trapezoidal cyclic loading, based on the assumptions proposed by Davis and Ra...This paper presents an analytical solution for one-dimensional consolidation of soft soil under some common types of cyclic loading such as trapezoidal cyclic loading, based on the assumptions proposed by Davis and Raymond （1965） that the decrease in permeability is proportional to the decrease in compressibility during the consolidation process of the soil and that the distribution of initial effective stress is constant with depth the solution obtained, some diagrams are prepared and the It is verified by the existing analytical solutions in special cases. Using telex ant consolidation behavior is investigated.展开更多
The explicit expression of Eshelby tensors for one-dimensional(1D) hexagonal quasicrystal composites is presented by using Green’s function method. The closed forms of Eshelby tensors in the special cases of spheroid...The explicit expression of Eshelby tensors for one-dimensional(1D) hexagonal quasicrystal composites is presented by using Green’s function method. The closed forms of Eshelby tensors in the special cases of spheroid, elliptic cylinder, ribbon-like,penny-shaped, and rod-shaped inclusions embedded in 1 D hexagonal quasicrystal matrices are given. As an application of Eshelby tensors, the analytical expressions for the effective properties of the 1 D hexagonal quasicrystal composites are derived based on the Mori-Tanaka method. The effects of the volume fraction of the inclusion on the elastic properties of the composite materials are discussed.展开更多
The title compound, Co（L）2（CH3OH）2Cl2 （L = 3-（1,2,4-triazole-yl）-6-chloro-pyridazine） 1, has been synthesized and its crystal structure has been determined by X-ray analysis. Complex 1 crystallizes in the tric...The title compound, Co（L）2（CH3OH）2Cl2 （L = 3-（1,2,4-triazole-yl）-6-chloro-pyridazine） 1, has been synthesized and its crystal structure has been determined by X-ray analysis. Complex 1 crystallizes in the triclinic system, space group P1 with a = 6.018（3）, b = 9.832（5）, c = 9.921（5）A, a = 78.270（8）, β = 74.550（8）, γ = 83.807（8）°, V = 553.1（5）A^3, Z = 1, C14H16Cl4CoN10O2, Mr = 557.10, Dc = 1.673 g/cm^3, F（000） = 281,μ（MoKα） = 1.293 mm^-1, the final R = 0.0453 and wR = 0.1181 for 1539 observed reflections with I 〉 2σ（I）. The Co（II） ion is in a distorted centrosymmetric six-coordinate octahedral environment with two Ntriazole, two Omethanol and two Cl atoms. Via hydrogen bonds the configuration of 1 has been extended into 1D chains which are developed to 2D layers via π-π sticking action, and these layers are further extended into a 3D network by hydrogen bonds. The antibacterial activity of the title compound has been detected, and the results show that the ligands and cobalt（II） complex exhibit certain fungicidal activity against several bacteria. Furthermore, the spectral properties of the title compound have been also studied and discussed.展开更多
Within the framework of continuum mechanics, the double power series ex- pansion technique is proposed, and a series of reduced one-dimensional （1D） equations for a piezoelectric semiconductor beam are obtained. The...Within the framework of continuum mechanics, the double power series ex- pansion technique is proposed, and a series of reduced one-dimensional （1D） equations for a piezoelectric semiconductor beam are obtained. These derived equations are universal, in which extension, flexure, and shear deformations are all included, and can be degen- erated to a number of special cases, e.g., extensional motion, coupled extensional and flexural motion with shear deformations, and elementary flexural motion without shear deformations. As a typical application, the extensional motion of a ZnO beam is analyzed sequentially. It is revealed that semi-conduction has a great effect on the performance of the piezoelectric semiconductor beam, including static deformations and dynamic be- haviors. A larger initial carrier density will evidently lead to a lower resonant frequency and a smaller displacement response, which is a little similar to the dissipative effect. Both the derived approximate equations and the corresponding qualitative analysis are general and widely applicable, which can clearly interpret the inner physical mechanism of the semiconductor in the piezoelectrics and provide theoretical guidance for further experimental design.展开更多
Grain crushing plays an important role in one-dimensional (1D) compression and creep behaviors of granular materials under high stress. It is clear that the macro-properties of granular materials are closely related t...Grain crushing plays an important role in one-dimensional (1D) compression and creep behaviors of granular materials under high stress. It is clear that the macro-properties of granular materials are closely related to the micro-fracture properties of grains in 1D compression and creep tests. In this paper, a series of 1D compression and creep tests were performed on Ottawa sand to investigate the deformation and grain crushing properties of granular materials, and it shows that the void ratio is correlated to the grain crushing amount (the quantity of crushed grains) for granular materials subjected to grain crushing. The test results, combining with the existing test data related to grain crushing of granular materials, were used to verify the relation. Moreover, the implications of these relations on the yield of granular material, and the equivalent effect of stress and time in changing soil fabric are presented.展开更多
Based on non-Darcian flow caused by non-Newtonian liquid, the theory of one-dimensional (1D) consolidation was modified to consider variation in the total vertical stress with depth and time. The finite difference met...Based on non-Darcian flow caused by non-Newtonian liquid, the theory of one-dimensional (1D) consolidation was modified to consider variation in the total vertical stress with depth and time. The finite difference method (FDM) was adopted to obtain numerical solutions for excess pore water pressure and average degree of consolidation. When non-Darcian flow is degenerated into Darcian flow, a comparison between numerical solutions and analytical solutions was made to verify reliability of finite difference solutions. Finally, taking into account the ramp time-dependent loading, consolidation behaviors with non-Darcian flow under various parameters were analyzed. Thus, a comprehensive analysis of 1D consolidation combined with non-Darcian flow caused by non-Newtonian liquid was conducted in this paper.展开更多
The important synthetic precursor（Ⅲ）, 1-（prop-2-yn-1-yl）-7,8-dihydro-1Hbenzo[d][1,3]thiazine-2,5（4H,6H）-dione（C（11）H（11）NO2S）, was prepared through a three-component reaction, which was further transferre...The important synthetic precursor（Ⅲ）, 1-（prop-2-yn-1-yl）-7,8-dihydro-1Hbenzo[d][1,3]thiazine-2,5（4H,6H）-dione（C（11）H（11）NO2S）, was prepared through a three-component reaction, which was further transferred into cytotoxic triazoles by alkylation and ＂click＂ synthesis in satisfactory yields of 87%^95%. Their structures were characterized by IR, H-RESI-MS and NMR analysis. Meanwhile, the crystal of Ⅲ was obtained and determined by X-ray single-crystal diffraction. Crystal data： orthorhombic system, space group P212121, a = 5.189（4）, b = 8.661（6）, c = 23.498（17） A, V = 1056.2（13） A^3, Z = 4, F（000） = 464, Dc = 1.392 g/cm^3, μ =0.284 mm^-1, R = 0.0637 and wR = 0.1668 for 8182 independent reflections（R（int） = 0.1580） and 2166 observed ones（I 〉 2σ（I））.展开更多
The crystal structure of the title compound 1-（4-fluorophenyl） -2-hexylthio-benzo [4,5]furo[3,2-d]-1,2,4-triazolo[1,5-a]pyrimidin-5（1H） -one（C23H21FN4O2S,Mr = 436.5） has been prepared and determined by single-cr...The crystal structure of the title compound 1-（4-fluorophenyl） -2-hexylthio-benzo [4,5]furo[3,2-d]-1,2,4-triazolo[1,5-a]pyrimidin-5（1H） -one（C23H21FN4O2S,Mr = 436.5） has been prepared and determined by single-crystal X-ray diffraction. The crystal is of monoclinic,space group P21/n with a = 13.9854（3） ,b = 17.2678（4） ,c = 18.1828（5）A,β = 99.364（2） °,V = 4332.58（18） A^3,Z = 4,Dc = 1.338,F（000） =1824,μ = 0.185 mm^-1,MoKa radiation（λ = 0.71073） ,R = 0.0538 and wR = 0.1162 for 4728 observed reflections with I 〉 2σ（I） . X-ray diffraction analysis reveals the fused rings of benzo[4,5]furo[3,2-d]-1,2,4-triazolo[1,5-a] pyrimidin-5（1H） -one system are nearly coplanar. The crystal packing is mainly stabilized by weak intermolecular C-H···O hydrogen bond and π-π interactions.展开更多
Subsurface rocks,as complex porous media,exhibit multiscale pore structures and intricate physical properties.Digital rock physics technology has become increasingly influential in the study of subsurface rock propert...Subsurface rocks,as complex porous media,exhibit multiscale pore structures and intricate physical properties.Digital rock physics technology has become increasingly influential in the study of subsurface rock properties.Given the multiscale characteristics of rock pore structures,direct three-dimensional imaging at sub-micrometer and nanometer scales is typically infeasible.This study introduces a method for reconstructing porous media using multidimensional data,which combines one-dimensional pore structure parameters with two-dimensional images to reconstruct three-dimensional models.The pore network model(PNM)is stochastically reconstructed using one-dimensional parameters,and a generative adversarial network(GAN)is utilized to equip the PNM with pore morphologies derived from two-dimensional images.The digital rocks generated by this method possess excellent controllability.Using Berea sandstone and Grosmont carbonate samples,we performed digital rock reconstructions based on PNM extracted by the maximum ball algorithm and compared them with stochastically reconstructed PNM.Pore structure parameters,permeability,and formation factors were calculated.The results show that the generated samples exhibit good consistency with real samples in terms of pore morphology,pore structure,and physical properties.Furthermore,our method effectively supplements the micropores not captured in CT images,demonstrating its potential in multiscale carbonate samples.Thus,the proposed reconstruction method is promising for advancing porous media property research.展开更多
The density functional theory method is utilized to verify the electronic structures of SiC nanotubes(SiCNTs) and SiC nanoribbons(SiCNRs) one-dimensional(1D) van der Waals homojunctions(vdWh) under an applied axial st...The density functional theory method is utilized to verify the electronic structures of SiC nanotubes(SiCNTs) and SiC nanoribbons(SiCNRs) one-dimensional(1D) van der Waals homojunctions(vdWh) under an applied axial strain and an external electric field. According to the calculated results, the SiCNTs/SiCNRs 1D vdWhs are direct semiconductors with a type-II band alignment and robust electronic structures with different diameters or widths. Furthermore,the SiCNTs/SiCNRs 1D vdWhs are direct semiconductors with a type-I band alignment, respectively, in a range of[-0.3,-0.1] V/A and [0.1, 0.3] V/A and change into metal when the electric field intensity is equal to or higher than0.4 V/A. Interestingly, the SiCNTs/SiCNRs 1D vdWhs have robust electronic structures under axial strain. These findings demonstrate theoretically that the SiCNTs/SiCNRs 1D vdWhs can be employed in nanoelectronics devices.展开更多
We address the existence of surface solitons at an interface in a defocusing cubic medium with an imprinted one-dimensional （1D） composite Bessel optical lattice. This setting is composed of two Bessel lattices with...We address the existence of surface solitons at an interface in a defocusing cubic medium with an imprinted one-dimensional （1D） composite Bessel optical lattice. This setting is composed of two Bessel lattices with different orders and different modulation depths, separated beside both sides of an interface. Stability analysis and numerical propagation simulations prove that solitons supported by the model are dynamically stable in the entire domain of their existence. The order of lattice determines the shape of soliton, and the amplitude of soliton depends on the lattice modulation depth. The experimental realization of the scheme is also proposed. Our results may provide another effective way of controlling the shapes of surface solitons and thus their evolutions by introducing a new freedom degree.展开更多
In order to discover the novel antitumor agents,a series of N,N,1-triphenyl-1Hbenzo[d]imidazol-5-amine derivatives were designed and synthesized,and the structures were characterized by IR,H-RMS,1H and 13C NMR.X-ray c...In order to discover the novel antitumor agents,a series of N,N,1-triphenyl-1Hbenzo[d]imidazol-5-amine derivatives were designed and synthesized,and the structures were characterized by IR,H-RMS,1H and 13C NMR.X-ray crystallography showed that 4c is in monoclinic system,space group P1 with a=9.209(2),b=9.533(3),c=14.097(3)?,β=102.069(3)°,V=1202.2(5)?3,Z=2,F(000)=528,μ=1.74 mm–1,S=1.024,the final R=0.0448 and wR=0.1109.The in vitro antitumor activities of target compounds were evaluated by MTT assay against human cancer cell lines K562,HL-60,HeLa and BGC-823.The target compounds demonstrated weak or moderate antitumor activities against these cell lines.展开更多
基金Project supported by the National Natural Science Foundation of China (Grant No. 92477205)。
文摘Controlling charge polarity in the semiconducting single-walled carbon nanotubes(CNTs) by substitutional doping is a difficult work due to their extremely strong C–C bonding. In this work, an inner doping strategy is explored by filling CNTs with one-dimensional(1D)-TM_(6)Te_(6) nanowires to form TM_(6)Te_(6)@CNT-(16,0) 1D van der Waals heterostructures(1D-vd WHs). The systematic first-principles studies on the electronic properties of 1D-vd WHs show that N-type doping CNTs can be formed by charge transfer from TM_(6)Te_(6) nanowires to CNTs, without introducing additional carrier scattering.Particularly, contribution from both T M(e.g., Sc and Y) and Te atoms strengthens the charge transfer. The outside CNTs further confine the dispersion of Te-p orbitals in nanowires that deforms the C-π states at the bottom of the conduction band to quasi sp^(3) hybridization. Our study provides an inner doping strategy that can effectively confine the charge polarity of CNTs and further broaden its applications in some novel nano-devices.
基金the National Key Basic Research Program of China(Grant No.2022YFA1404800)the National Natural Science Foundation of China(Grant Nos.12234007 and 12221004)supported by Science and Technology Commission of Shanghai Municipality,China(Grant Nos.19XD1434600,2019SHZDZX01,19DZ2253000,20501110500,and 21DZ1101500)。
文摘Periodic photonic structures can provide rich modulation in propagation of light due to well-defined band structures.Especially near band edges,light localization and the effect of near-zero refractive index have attracted wide attention.However,the practically fabricated structures can only have finite size,i.e.,limited numbers of periods,leading to changes of the light propagation modulation compared with infinite structures.Here,we study the size effect on light localization and near-zero refractive-index propagation near band edges in one-dimensional periodic structures.Near edges of the band gap,as the structure's size shrinks,the broadening of the band gap and the weakening of the light localization are discovered.When the size is small,an added layer on the surface will perform large modulation in the group velocity.Near the degenerate point with Dirac-like dispersion,the zero-refractive-index effects like the zero-phase difference and near-unity transmittance retain as the size changes,while absolute group velocity fluctuates when the size shrinks.
基金Supported by the National Natural Science Foundation of China (Nos. 11902293 and 12272353)。
文摘In this paper,the mechanical response of a one-dimensional(1D)hexagonal piezoelectric quasicrystal(PQC)thin film is analyzed under electric and temperature loads.Based on the Euler-Bernoulli beam theory,a theoretical model is proposed,resulting in coupled governing integral equations that account for interfacial normal and shear stresses.To numerically solve these integral equations,an expansion method using orthogonal Chebyshev polynomials is employed.The results provide insights into the interfacial stresses,axial force,as well as axial and vertical deformations of the PQC film.Additionally,fracture criteria,including stress intensity factors,mode angles,and the J-integral,are evaluated.The solution is compared with the membrane theory,neglecting the normal stress and bending deformation.Finally,the effects of stiffness and aspect ratio on the PQC film are thoroughly discussed.This study serves as a valuable guide for controlling the mechanical response and conducting safety assessments of PQC film systems.
基金Project supported by the National Natural Science Foundation of China(Nos.11902293 and 12272353)。
文摘In this paper,we investigate the interfacial behavior of a thin,penny-shaped,one-dimensional(1D)hexagonal functionally graded(FG)piezoelectric quasicrystal(PQC)film bonded on a temperature-dependent elastic substrate under thermal and electrical loads.The problem is modeled as axisymmetric based on the membrane theory,with the peeling stress and bending moment being disregarded.A potential theory method,combined with the Hankel transform technique,is utilized to derive the displacement field on the substrate surface.With perfect interfacial bonding assumption,an integral equation governing the phonon interfacial shear stress is formulated and numerically solved by the Chebyshev polynomials.Explicit expressions are derived for the interfacial shear stress,the internal stresses within the PQC film and the substrate,the axial strain,and the stress intensity factors(SIFs).Numerical simulations are conducted to investigate the effects of the film's aspect ratio,material inhomogeneity,material mismatch,and temperature-dependent material properties on its mechanical response.The results provide insights for the functional design and reliability assessment of FG PQC film/substrate systems.
基金The author would like to acknowledge the support from the Engineering and Physical Sciences Research Council(EPSRC)(EP/L015749/1).
文摘One-dimensional(1D)Pt-based electrocatalysts demonstrate outstanding catalytic activities and stability toward the oxygen reduction reaction(ORR).Advances in three-dimensional(3D)ordered electrodes based on 1D Pt-based nanostructure arrays have revealed great potential for developing highperformance proton exchange membrane fuel cells(PEMFCs),in particular for addressing the mass transfer and durability challenges of Pt/C nanoparticle electrodes.This paper reviews recent progress in the field,with a focus on the 3D ordered electrodes based on self-standing Pt nanowire arrays.Nanostructured thin-film(NSTF)catalysts are discussed along with electrodes made from Pt-based nanoparticles deposited on arrays of polymer nanowires,and carbon and TiO2 nanotubes.Achievements on electrodes from Pt-based nanotube arrays are also reviewed.The importance of size,surface properties,and the distribution control of 1D catalyst nanostructures is indicated.Finally,challenges and future development opportunities are addressed regarding increasing electrochemical surface area(ECSA)and quantifying oxygen mass transport resistance for 1D nanostructure array electrodes.
基金supported by the Innovation Program for College Students of Central South University (No. 081053308)Central South University Science Development Foundation (No. 09SDF06)
文摘The title compound,poly[N-[1-（3-pydidyl）ethylidene]-4H-1,2,4-triazol-4-amine sil-ver（I） tetrafluoroborate],[Ag（C9H9N5）（BF4）]n,is the result of complexing Ag cation with N-[1-（3-pydidyl）ethylidene]-4H-1,2,4-triazol-4-amine （L）,and its crystal structure was determined by single-crystal X-ray diffraction.The crystal belongs to the monoclinic system,space group C2/c with a= 18.899（6）,b=9.882（2）,c=15.472（4）,β=120.158（3）°,V=2498.5（11）3,C9H9AgBF4N5,Mr= 381.89,Dc=2.031 g/cm3,μ（MoKα）=1.659 mm-1,F（000）=1488,Z=8,the final R=0.0441 and wR=0.0619 for 1094 observed reflections （I 〉 2σ（I））.In the structure,ligand L bridges the two metal Ag（I） centers in a bidentate fashion and each metal ion coordinates with two nitrogen atoms,forming a one-dimensional rectangular chain.The neighboring chains are connected by two additional Ag-N weak interactions into a 3D framework structure.The title compound shows blue fluorescence property at room temperature.
基金supported by the National Natural Science Foundation of China(Nos.51378293 and 51078199)
文摘This paper presents a strategy for computation of super-convergent solutions of multi-dimensional problems in the finite element method （FEM） by recursive application of the one-dimensional （1D） element energy projection （EEP） technique. The main idea is to conceptually treat multi-dimensional problems as generalized 1D problems, based on which the concepts of generalized 1D FEM and its consequent EEP formulae have been developed in a unified manner. Equipped with these concepts, multi-dimensional problems can be recursively discretized in one dimension at each step, until a fully discretized standard finite element （FE） model is reached. This conceptual dimension-by- dimension （D-by-D） discretization procedure is entirely equivalent to a full FE discretization. As a reverse D-by-D recovery procedure, by using the unified EEP formulae together with proper extraction of the generalized nodal solutions, super-convergent displacements and first derivatives for two-dimensional （2D） and three-dimensional （3D） problems can be obtained over the domain. Numerical examples of 3D Poisson＇s equation and elasticity problem are given to verify the feasibility and effectiveness of the proposed strategy.
基金Project supported by the National Natural Science Foundation of China(Nos.41630633 and11672172)
文摘The semi-analytical solutions to Fredlund and Hasan＇s one-dimensional （1D） consolidation for unsaturated soils with a semi-permeable drainage boundary are pre- seated. Two variables are introduced to transform the two coupled governing equations of pore-water and pore-air pressures into an equivalent set of partial differential equations （PDFs）, which are easily solved by the Laplace transform method. Then, the pore-water pressure, pore-air pressure, and soil settlement are obtained in the Laplace domain. The Crump method is adopted to perform the inverse Laplace transform in order to obtain the semi-analytical solutions in the time domain. It is shown that the proposed solutions are more applicable to various types of boundary conditions and agree well with the existing solutions from the literature. Several numerical examples are provided to investigate the consolidation behavior of an unsaturated single-layer soil with single, double, mixed, and semi-permeable drainage boundaries. The changes in the pore-air and pore-water pres- sures and the soil settlement with the time factor at different values of the semi-permeable drainage boundary parameters are illustrated. In addition, parametric studies are con- ducted on the pore-air and pore-water pressures at different ratios （the air permeability coefficient to the water permeability coefficient） and depths.
基金Projects supported by the National Research Foundation for theDoctoral Program of Higher Education of China (No. 20030335027)and the Natural Science Foundation of Zhejiang Province (No.Y104463), China
文摘This paper presents an analytical solution for one-dimensional consolidation of soft soil under some common types of cyclic loading such as trapezoidal cyclic loading, based on the assumptions proposed by Davis and Raymond （1965） that the decrease in permeability is proportional to the decrease in compressibility during the consolidation process of the soil and that the distribution of initial effective stress is constant with depth the solution obtained, some diagrams are prepared and the It is verified by the existing analytical solutions in special cases. Using telex ant consolidation behavior is investigated.
基金the National Natural Science Foundation of China(Nos.11962026,12002175,12162027,and 62161045)the Inner Mongolia Natural Science Foundation of China(No.2020MS01018)。
文摘The explicit expression of Eshelby tensors for one-dimensional(1D) hexagonal quasicrystal composites is presented by using Green’s function method. The closed forms of Eshelby tensors in the special cases of spheroid, elliptic cylinder, ribbon-like,penny-shaped, and rod-shaped inclusions embedded in 1 D hexagonal quasicrystal matrices are given. As an application of Eshelby tensors, the analytical expressions for the effective properties of the 1 D hexagonal quasicrystal composites are derived based on the Mori-Tanaka method. The effects of the volume fraction of the inclusion on the elastic properties of the composite materials are discussed.
文摘The title compound, Co（L）2（CH3OH）2Cl2 （L = 3-（1,2,4-triazole-yl）-6-chloro-pyridazine） 1, has been synthesized and its crystal structure has been determined by X-ray analysis. Complex 1 crystallizes in the triclinic system, space group P1 with a = 6.018（3）, b = 9.832（5）, c = 9.921（5）A, a = 78.270（8）, β = 74.550（8）, γ = 83.807（8）°, V = 553.1（5）A^3, Z = 1, C14H16Cl4CoN10O2, Mr = 557.10, Dc = 1.673 g/cm^3, F（000） = 281,μ（MoKα） = 1.293 mm^-1, the final R = 0.0453 and wR = 0.1181 for 1539 observed reflections with I 〉 2σ（I）. The Co（II） ion is in a distorted centrosymmetric six-coordinate octahedral environment with two Ntriazole, two Omethanol and two Cl atoms. Via hydrogen bonds the configuration of 1 has been extended into 1D chains which are developed to 2D layers via π-π sticking action, and these layers are further extended into a 3D network by hydrogen bonds. The antibacterial activity of the title compound has been detected, and the results show that the ligands and cobalt（II） complex exhibit certain fungicidal activity against several bacteria. Furthermore, the spectral properties of the title compound have been also studied and discussed.
基金Project supported by the National Natural Science Foundation of China(Nos.11672223,11402187,and 51178390)the China Postdoctoral Science Foundation(No.2014M560762)the Fundamental Research Funds for the Central Universities of China(No.xjj2015131)
文摘Within the framework of continuum mechanics, the double power series ex- pansion technique is proposed, and a series of reduced one-dimensional （1D） equations for a piezoelectric semiconductor beam are obtained. These derived equations are universal, in which extension, flexure, and shear deformations are all included, and can be degen- erated to a number of special cases, e.g., extensional motion, coupled extensional and flexural motion with shear deformations, and elementary flexural motion without shear deformations. As a typical application, the extensional motion of a ZnO beam is analyzed sequentially. It is revealed that semi-conduction has a great effect on the performance of the piezoelectric semiconductor beam, including static deformations and dynamic be- haviors. A larger initial carrier density will evidently lead to a lower resonant frequency and a smaller displacement response, which is a little similar to the dissipative effect. Both the derived approximate equations and the corresponding qualitative analysis are general and widely applicable, which can clearly interpret the inner physical mechanism of the semiconductor in the piezoelectrics and provide theoretical guidance for further experimental design.
基金Supported by Natural Sciences and Engineering Research Council of Canada, Alberta Energy Research Institute and the Department of Civil Engineering at University of Calgary
文摘Grain crushing plays an important role in one-dimensional (1D) compression and creep behaviors of granular materials under high stress. It is clear that the macro-properties of granular materials are closely related to the micro-fracture properties of grains in 1D compression and creep tests. In this paper, a series of 1D compression and creep tests were performed on Ottawa sand to investigate the deformation and grain crushing properties of granular materials, and it shows that the void ratio is correlated to the grain crushing amount (the quantity of crushed grains) for granular materials subjected to grain crushing. The test results, combining with the existing test data related to grain crushing of granular materials, were used to verify the relation. Moreover, the implications of these relations on the yield of granular material, and the equivalent effect of stress and time in changing soil fabric are presented.
基金Supported by the National Natural Science Foundation of China (51109092,50878191)
文摘Based on non-Darcian flow caused by non-Newtonian liquid, the theory of one-dimensional (1D) consolidation was modified to consider variation in the total vertical stress with depth and time. The finite difference method (FDM) was adopted to obtain numerical solutions for excess pore water pressure and average degree of consolidation. When non-Darcian flow is degenerated into Darcian flow, a comparison between numerical solutions and analytical solutions was made to verify reliability of finite difference solutions. Finally, taking into account the ramp time-dependent loading, consolidation behaviors with non-Darcian flow under various parameters were analyzed. Thus, a comprehensive analysis of 1D consolidation combined with non-Darcian flow caused by non-Newtonian liquid was conducted in this paper.
基金Supported by the National Natural Science Foundation of China(No.21272136)Scientific Foundation from graduate school(2015CX131)Youth Talent Development Foundation of China Three Gorges University
文摘The important synthetic precursor（Ⅲ）, 1-（prop-2-yn-1-yl）-7,8-dihydro-1Hbenzo[d][1,3]thiazine-2,5（4H,6H）-dione（C（11）H（11）NO2S）, was prepared through a three-component reaction, which was further transferred into cytotoxic triazoles by alkylation and ＂click＂ synthesis in satisfactory yields of 87%^95%. Their structures were characterized by IR, H-RESI-MS and NMR analysis. Meanwhile, the crystal of Ⅲ was obtained and determined by X-ray single-crystal diffraction. Crystal data： orthorhombic system, space group P212121, a = 5.189（4）, b = 8.661（6）, c = 23.498（17） A, V = 1056.2（13） A^3, Z = 4, F（000） = 464, Dc = 1.392 g/cm^3, μ =0.284 mm^-1, R = 0.0637 and wR = 0.1668 for 8182 independent reflections（R（int） = 0.1580） and 2166 observed ones（I 〉 2σ（I））.
基金Supported by the Natural Science Foundation of Hubei Province (2006ABB016)Key Science Research Project of Hubei Provincial Department of Education (No.D200724001)the Science Research Project of Yunyang Medical College (No.2008CXG01)
文摘The crystal structure of the title compound 1-（4-fluorophenyl） -2-hexylthio-benzo [4,5]furo[3,2-d]-1,2,4-triazolo[1,5-a]pyrimidin-5（1H） -one（C23H21FN4O2S,Mr = 436.5） has been prepared and determined by single-crystal X-ray diffraction. The crystal is of monoclinic,space group P21/n with a = 13.9854（3） ,b = 17.2678（4） ,c = 18.1828（5）A,β = 99.364（2） °,V = 4332.58（18） A^3,Z = 4,Dc = 1.338,F（000） =1824,μ = 0.185 mm^-1,MoKa radiation（λ = 0.71073） ,R = 0.0538 and wR = 0.1162 for 4728 observed reflections with I 〉 2σ（I） . X-ray diffraction analysis reveals the fused rings of benzo[4,5]furo[3,2-d]-1,2,4-triazolo[1,5-a] pyrimidin-5（1H） -one system are nearly coplanar. The crystal packing is mainly stabilized by weak intermolecular C-H···O hydrogen bond and π-π interactions.
基金supported by the Shandong Provincial Natural Science Foundation(ZR2024MD116)National Natural Science Foundation of China(Grant Nos.42174143,42004098)Technology Innovation Leading Program of Shaanxi(No.2024 ZC-YYDP-27).
文摘Subsurface rocks,as complex porous media,exhibit multiscale pore structures and intricate physical properties.Digital rock physics technology has become increasingly influential in the study of subsurface rock properties.Given the multiscale characteristics of rock pore structures,direct three-dimensional imaging at sub-micrometer and nanometer scales is typically infeasible.This study introduces a method for reconstructing porous media using multidimensional data,which combines one-dimensional pore structure parameters with two-dimensional images to reconstruct three-dimensional models.The pore network model(PNM)is stochastically reconstructed using one-dimensional parameters,and a generative adversarial network(GAN)is utilized to equip the PNM with pore morphologies derived from two-dimensional images.The digital rocks generated by this method possess excellent controllability.Using Berea sandstone and Grosmont carbonate samples,we performed digital rock reconstructions based on PNM extracted by the maximum ball algorithm and compared them with stochastically reconstructed PNM.Pore structure parameters,permeability,and formation factors were calculated.The results show that the generated samples exhibit good consistency with real samples in terms of pore morphology,pore structure,and physical properties.Furthermore,our method effectively supplements the micropores not captured in CT images,demonstrating its potential in multiscale carbonate samples.Thus,the proposed reconstruction method is promising for advancing porous media property research.
基金Project supported by the National Natural Science Foundation of China(Grant No.11864011)the Youth Project of Scientific and Technological Research Program of Chongqing Education Commission,China(Grant Nos.KJQN202001207 and KJQN202101204)the Fund from the Educational Commission of Hubei Province,China(Grant No.T201914)。
文摘The density functional theory method is utilized to verify the electronic structures of SiC nanotubes(SiCNTs) and SiC nanoribbons(SiCNRs) one-dimensional(1D) van der Waals homojunctions(vdWh) under an applied axial strain and an external electric field. According to the calculated results, the SiCNTs/SiCNRs 1D vdWhs are direct semiconductors with a type-II band alignment and robust electronic structures with different diameters or widths. Furthermore,the SiCNTs/SiCNRs 1D vdWhs are direct semiconductors with a type-I band alignment, respectively, in a range of[-0.3,-0.1] V/A and [0.1, 0.3] V/A and change into metal when the electric field intensity is equal to or higher than0.4 V/A. Interestingly, the SiCNTs/SiCNRs 1D vdWhs have robust electronic structures under axial strain. These findings demonstrate theoretically that the SiCNTs/SiCNRs 1D vdWhs can be employed in nanoelectronics devices.
基金Project supported by the National Natural Science Foundation of China(Grant No10704067)the Scientific Research Foundation of Education Bureau of Zhejiang Province of China(Grant No20060493)
文摘We address the existence of surface solitons at an interface in a defocusing cubic medium with an imprinted one-dimensional （1D） composite Bessel optical lattice. This setting is composed of two Bessel lattices with different orders and different modulation depths, separated beside both sides of an interface. Stability analysis and numerical propagation simulations prove that solitons supported by the model are dynamically stable in the entire domain of their existence. The order of lattice determines the shape of soliton, and the amplitude of soliton depends on the lattice modulation depth. The experimental realization of the scheme is also proposed. Our results may provide another effective way of controlling the shapes of surface solitons and thus their evolutions by introducing a new freedom degree.
基金Supported by the “Climbing Program”(pdjh2019b0497)Special Funds,the Foundation of the Department of Education of Guangdong Province(2018KZDXM070,2017KZDXM085,2017KQNCX204)College Students Innovation and Entrepreneurship Training Program of Wuyi University and Foundation for Young Talents(2018KQNCX272,2018KQNCX273)
文摘In order to discover the novel antitumor agents,a series of N,N,1-triphenyl-1Hbenzo[d]imidazol-5-amine derivatives were designed and synthesized,and the structures were characterized by IR,H-RMS,1H and 13C NMR.X-ray crystallography showed that 4c is in monoclinic system,space group P1 with a=9.209(2),b=9.533(3),c=14.097(3)?,β=102.069(3)°,V=1202.2(5)?3,Z=2,F(000)=528,μ=1.74 mm–1,S=1.024,the final R=0.0448 and wR=0.1109.The in vitro antitumor activities of target compounds were evaluated by MTT assay against human cancer cell lines K562,HL-60,HeLa and BGC-823.The target compounds demonstrated weak or moderate antitumor activities against these cell lines.
