Topology optimization of continuum structures with design-dependent loads has long been a challenge. In this paper, the topology optimization of 3D structures subjected to design-dependent loads is investigated. A bou...Topology optimization of continuum structures with design-dependent loads has long been a challenge. In this paper, the topology optimization of 3D structures subjected to design-dependent loads is investigated. A boundary search scheme is proposed for 3D problems, by means of which the load surface can be identified effectively and efficiently, and the difficulties arising in other approaches can be overcome. The load surfaces are made up of the boundaries of finite elements and the loads can be directly applied to corresponding element nodes, which leads to great convenience in the application of this method. Finally, the effectiveness and efficiency of the proposed method is validated by several numerical examples.展开更多
The catalyst layers(CLs) electrode is the key component of the membrane electrode assembly(MEA) in proton exchange membrane fuel cells(PEMFCs). Conventional electrodes for PEMFCs are composed of carbon-supported, iono...The catalyst layers(CLs) electrode is the key component of the membrane electrode assembly(MEA) in proton exchange membrane fuel cells(PEMFCs). Conventional electrodes for PEMFCs are composed of carbon-supported, ionomer, and Pt nanoparticles, all immersed together and sprayed with a micron-level thickness of CLs. They have a performance trade-off where increasing the Pt loading leads to higher performance of abundant triple-phase boundary areas but increases the electrode cost. Major challenges must be overcome before realizing its wide commercialization. Literature research revealed that it is impossible to achieve performance and durability targets with only high-performance catalysts, so the controllable design of CLs architecture in MEAs for PEMFCs must now be the top priority to meet industry goals. From this perspective, a 3D ordered electrode circumvents this issue with a support-free architecture and ultrathin thickness while reducing noble metal Pt loadings. Herein, we discuss the motivation in-depth and summarize the necessary CLs structural features for designing ultralow Pt loading electrodes. Critical issues that remain in progress for 3D ordered CLs must be studied and characterized. Furthermore, approaches for 3D ordered CLs architecture electrode development, involving material design, structure optimization, preparation technology, and characterization techniques, are summarized and are expected to be next-generation CLs for PEMFCs. Finally, the review concludes with perspectives on possible research directions of CL architecture to address the significant challenges in the future.展开更多
The novelty of this research lies in the successful fabrication of a 3D-printed honeycomb structure filled with nanofillers for acoustic properties,utilizing an impedance tube setup in accordance with ASTM standard E ...The novelty of this research lies in the successful fabrication of a 3D-printed honeycomb structure filled with nanofillers for acoustic properties,utilizing an impedance tube setup in accordance with ASTM standard E 1050-12.The Creality Ender-3,a 3D printer,was used for printing the honeycomb structures,and polylactic acid(PLA)material was employed for their construction.The organic,inorganic,and polymeric compounds within the composites were identified using fourier transformation infrared(FTIR)spectroscopy.The structure and homogeneity of the samples were examined using a field emission scanning electron microscope(FESEM).To determine the sound absorption coefficient of the 3D printed honeycomb structure,numerous samples were systematically developed using central composite design(CCD)and analysed using response surface methodology(RSM).The RSM mathematical model was established to predict the optimum values of each factor and noise reduction coefficient(NRC).The optimum values for an NRC of 0.377 were found to be 1.116 wt% carbon black,1.025 wt% aluminium powder,and 3.151 mm distance between parallel edges.Overall,the results demonstrate that a 3Dprinted honeycomb structure filled with nanofillers is an excellent material that can be utilized in various fields,including defence and aviation,where lightweight and acoustic properties are of great importance.展开更多
A 3D surface reconstruction method using a binocular stereo vision technology and a coded structured light,which combines a gray code with phase-shift has been studied.The accuracy of the 3 D surface reconstruction ma...A 3D surface reconstruction method using a binocular stereo vision technology and a coded structured light,which combines a gray code with phase-shift has been studied.The accuracy of the 3 D surface reconstruction mainly depends on the decoding of gray code views and phase-shift views.In order to find the boundary accurately,gray code patterns and their inverses are projected onto a human eye plaster model.The period dislocation between the gray code views and the phase-shift views in the course of decoding has been analyzed and a new method has been proposed to solve it.The splicing method is based on feature points.The result of the 3D surface reconstruction shows the accuracy and reliability of our method.展开更多
Fifteen novel 2-(3-oxobenzo[d]isothiazol-2(3H)-yl)ethyl benzoates were synthesi- zed by the condensation of 2-(2-hydroxyethyl)benzo[d]isothiazol-3(2H)-one with substituted benzoic acids in dichloromethane. All...Fifteen novel 2-(3-oxobenzo[d]isothiazol-2(3H)-yl)ethyl benzoates were synthesi- zed by the condensation of 2-(2-hydroxyethyl)benzo[d]isothiazol-3(2H)-one with substituted benzoic acids in dichloromethane. All the compounds were characterized by elemental analysis, IR, ESI-MS and 1H NMR. The crystal structures for 2-(2-hydroxyethyl)benzo[d]isothiazol-3(2H)-one (2) and 2-(3-oxobenzo[d]isothiazol-2(3H)-yl)ethyl 2-methoxybenzoate (30) have been determined by X-ray crystal structure analysis. Compound 2 (C9H9NO2S) crystallizes in the monoclinic system, space group Pn with a = 10.552(3), b = 7.849(2), c = 10.765(4) A, β = 103.128(4)°, V= 868.3(5) A3, Mr = 195.24, Dc = 1.493 Mg.m-3, μ = 0.33 mm-1, F(000) = 408, Z = 4, R= 0.0314 and wR= 0.0628. Compound 30 (C17H15NO4S) crystallizes in the triclinic system, space group P1 with a = 8.028(2), b = 9.300(2), c = 10.430(3)A, V= 752.1(3)A3, Mr = 329.36, D,= 1.454 Mg.m-3, p = 0.24 mm-1, F(000) = 344, Z = 2, R = 0.0377 and wR = 0.0904. The preliminary biological test indicated that the title compounds show better growth inhibitory activity against the gram-positive bacteria than the gram-negative bacteria.展开更多
The crystal structure of the title compound, diethyl 4,5-di(thienyl)-3,6-bis(trime- thylsilyl)phthalate (C26H3404S2Si2, Mr = 530.83), has been determined by single-crystal X-ray diffraction. The crystal belongs ...The crystal structure of the title compound, diethyl 4,5-di(thienyl)-3,6-bis(trime- thylsilyl)phthalate (C26H3404S2Si2, Mr = 530.83), has been determined by single-crystal X-ray diffraction. The crystal belongs to the orthorhombic system, space group Pccn with a = 43.008(5), b = 10.9000(12), c = 11.9357(14) A, V= 5595.3(11) A3, Z = 8, F(000) = 2256, Dc= 1.260 mg/m3, p = 0.305 mm-1, T = 113(2) K, S = 1.090, R = 0.0413 and wR = 0.0969 for 5952 observed reflections with 1 〉 2o(/). The benzene ring system is planar and makes dihedral angles of 63.7(2) and 72.5(4) with the two thienyl rings A (C(23)-C(26), S(2)) and B (C(19)-C(22), S(1)), respectively. The UV-vis absorption and fluorescence of the title compound were discussed. The molecular structure of the title compound has been optimized using DFT method at the B3LYP/6-31G(d) level. The computational results showed that the optimized geometer parameters are consistent well with the experiment data. The vertical ionization potential, vertical electron affinity and frontier orbitals were also discussed.展开更多
A bionic experimental platform was designed for the purpose of investigating time accurate three-dimensional flow field, using digital particle image velocimetry (DSPIV). The wake behind the flapping trail of a robo...A bionic experimental platform was designed for the purpose of investigating time accurate three-dimensional flow field, using digital particle image velocimetry (DSPIV). The wake behind the flapping trail of a robotic fish model was studied at high spatial resolution. The study was performed in a water channel. A robot fish model was designed and built. The model was fixed onto a rigid support frame- work using a cable-supporting method, with twelve stretched wires. The entire tail of the model can perform prescribed motions in two degrees of freedom, mainly in carangiform mode, by driving its afterbody and lunate caudal fin respectively. The DSPIV system was set up to operate in a trans- lational manner, measuring velocity field in a series of parallel slices. Phase locked measurements were repeated for a number of runs, allowing reconstruction of phase average flow field. Vortex structures with phase history of the wake were obtained. The study reveals some new and complex three-dimensional flow structures in the wake of the fish, including "reverse hairpin vortex" and "reverse Karman S-H vortex rings", allowing insight into physics of this complex flow.展开更多
Soil-rock mixture (SRM) is a unique type of geomaterial characterized by a heterogeneous composition and a complicated structure. It is intractable for the continuum-based soil and rock mechanics theories to accurat...Soil-rock mixture (SRM) is a unique type of geomaterial characterized by a heterogeneous composition and a complicated structure. It is intractable for the continuum-based soil and rock mechanics theories to accurately characterize and predict the SRM's mechanical properties. This study reports a novel numerical method incorporating microfocus computed tomography and PFC3D codes to probe the deformation and failure processes of SRM. The three-dimensional (3D) PFC models that represent the SRM's complex structures were built. By simulating the entire failure process in PFC3D, the SRM's strength, elastic modulus and crack growth were obtained. The influence of rock ratios on the SRM's strength, deformation and failure processes, as well as its internal mesoscale mechanism, were analyzed. By comparing simulation results with experimental data, it was verified that the 3D PFC models were in good agreement with SRM's real structure and the SRM's compression process, deformation and failure patterns; its intrinsic mesomechanism can be effectively analyzed based on such 3D PFC models.展开更多
3D structure of the crust and upper mantle in the studied area has been analyzed from surface wave tomography. The velocity distribution in the uppermost crust is symmetrical on two sides of the central line of the se...3D structure of the crust and upper mantle in the studied area has been analyzed from surface wave tomography. The velocity distribution in the uppermost crust is symmetrical on two sides of the central line of the sea, and coincides with the structure of crystalline basement. The essential difference in tectonics between the East China Sea and the Yellow Sea mainly lies in that the velocity structures of their lower crust and upper mantle are identical to those of South China and North China respectively. In the upper mantle there exists a high-velocity zone with a nearly EW strike from the Hangzhou Bay, China, to the Tokara Channel, Japan, along about the latitude of 30°N. It is found that between the East China Sea and the Yellow Sea there are systematical differences in geomorphology, geology, seismicity, heat flow, quality factor and gravity and aeromagnetic anomalies, which is related to both left-lateral shear dislocation and right-lateral tear of the Benioff zone from the Hangzhou Bay to the Tokara Channel.It is inferred that the East China Sea was formed by Cenozoic back-arc extension. The boundary between the North China and South China crustal blocks stretches along the southern piedmont of Mts. Daba-Dabie-Hangzhou Bay-Tokara Channel, and the subduction zone at the Okinawa trench is the eastern boundary of the South China crustal block. The movements of the Pacific plate, Indian plate and upper mantle rather than the Philippine plate subduction have played a dominant role for the modern tectonic movements in East Asia.展开更多
1,2-Benzothiazine derivatives methyl 3-methoxy-4-oxo-3,4-dihydro-2H-benzo[e] [1,2]thiazine-3-carboxylate 1,1-dioxide(1) and methyl 2-ethyl-3-hydroxy-4-oxo-3,4-dihydro-2Hbenzo[e][1,2]thiazine-3-carboxylate 1,1-dioxid...1,2-Benzothiazine derivatives methyl 3-methoxy-4-oxo-3,4-dihydro-2H-benzo[e] [1,2]thiazine-3-carboxylate 1,1-dioxide(1) and methyl 2-ethyl-3-hydroxy-4-oxo-3,4-dihydro-2Hbenzo[e][1,2]thiazine-3-carboxylate 1,1-dioxide(2) were synthesized, and characterized by spectroscopic techniques; 1H-NMR and infrared(IR) spectroscopy. Crystals of 1 and 2 were grown by slow evaporation of methanol and ethyl acetate, respectively and their crystal structures were investigated by single-crystal X-ray diffraction analysis. Geometric properties were calculated by the B3 LYP method of density functional theory(DFT) at the 6-31G+(d) basis set to compare with the experimental data. Simulated properties were found in strong agreement with the experimental ones. Intermolecular forces have also been modeled in order to investigate the strength of packing and strong hydrogen bonding was observed in both compounds 1 and 2. Electronic properties such as Ionization Potential(IP), Electron Affinities(EA) and coefficients of the highest occupied molecular orbital(HOMO) and the lowest unoccupied molecular orbital(LUMO) of com- pounds 1 and 2 were simulated for the first time.展开更多
A 3- D free surface flow in open channels based on the Reynolds equations with the k-ε turbulence closure model is presented in this paper. Insted of the 'rigid lid' approximation, the solution of the free su...A 3- D free surface flow in open channels based on the Reynolds equations with the k-ε turbulence closure model is presented in this paper. Insted of the 'rigid lid' approximation, the solution of the free surface equation is implemented in the velocity-pressure iterative procedure on the basis of the conventional SIMPLE method. This model was used to compute the flow in rectangular channels with trenches dredged across the bottom. The velocity, eddy viscosity coefficient, turbulent shear stress, turbulent kinetic energy and elevation of the free surface can be obtained. The computed results are in good agreement with previous experimental data.展开更多
Seven novel 3-(2-(heterocyclo-2-ylthio)ethoxy)benzo[d]isothiazoles(3a^3g) have been synthesized and characterized by ESI-MS and 1H and 13 C NMR spectra. The crystal structures of 3a and 3g have been determined. ...Seven novel 3-(2-(heterocyclo-2-ylthio)ethoxy)benzo[d]isothiazoles(3a^3g) have been synthesized and characterized by ESI-MS and 1H and 13 C NMR spectra. The crystal structures of 3a and 3g have been determined. Compound 3a(C(11)H(11)N5O1S2) belongs to the monoclinic system and 3g(C(12)H(11)N3OS3) to the triclinic system. The title compounds show excellent in vitro antibacterial activities, with the minimum inhibitory concentrations varying from 4 to 32 ug/m L.展开更多
This paper presents a review of the work on fluid/structure impact based on inviscid and imcompressible liquid and irrotational flow. The focus is on the velocity potential theory together with boundary element method...This paper presents a review of the work on fluid/structure impact based on inviscid and imcompressible liquid and irrotational flow. The focus is on the velocity potential theory together with boundary element method (BEM). Fully nonlinear boundary conditions are imposed on the unknown free surface and the wetted surface of the moving body. The review includes (1) vertical and oblique water entry of a body at constant or a prescribed varying speed, as well as free fall motion, (2) liquid droplets or column impact as well as wave impact on a body, (3) similarity solution of an expanding body. It covers two dimensional (2D), axisymmetric and three dimensional (3D) cases. Key techniques used in the numerical simulation are outlined, including mesh generation on the multivalued free surface, the stretched coordinate system for expanding domain, the auxiliary function method for decoupling the mutual dependence of the pressure and the body motion, and treatment for the jet or the thin liquid film developed during impact.展开更多
Superwetting surfaces have the potential to address oil pollution in water,through their ability to separate the two.However,it remains a great challenge to fabricate stable and efficient separation structures using c...Superwetting surfaces have the potential to address oil pollution in water,through their ability to separate the two.However,it remains a great challenge to fabricate stable and efficient separation structures using conventional manufacturing techniques.Furthermore,the materials traditionally used for oil-water separation are not stable at high temperature.Therefore,there is a need to develop stable,customizable structures to improve the performance of oil-water separation devices.In recent years,3D printing technology has developed rapidly,and breakthroughs have been made in the fabrication of complicated ceramic structures using this technology.Here,a ceramic material with a gradient pore structure and superhydrophobic/superoleophilic properties was prepared using 3D printing for high-efficiency oil-water separation.The gradient pore structure developed here can support a flux of up to 25434 L/m^(2)h,which is nearly 40%higher than that an analogous structure with straight pores.At 200℃,the oil-water separation performance was maintained at 97.4%.Furthermore,samples of the material exhibited outstanding mechanical properties,and chemical stability in a variety of harsh environments.This study provides an efficient,simple,and reliable method for manufacturing oil-water separation materials using 3D printing,and may have broader implications for both fundamental research and industrial applications.展开更多
This paper proposes an automatic model-based viewpoint planning method, which can achieve high precision and high efficiency for freeform surfaces inspection using plane structured light scanners. The surface model is...This paper proposes an automatic model-based viewpoint planning method, which can achieve high precision and high efficiency for freeform surfaces inspection using plane structured light scanners. The surface model is utilized in stereolithography format, which is widely used as an industrial standard. The proposed method consists of 4 steps: topology reconstruction, mesh refinement, scan direction determination and viewpoint generation. In the first step, the topology structure of the surface model is reconstructed according to a designed data structure, based on which a neighborhood search algorithm is developed. In the second step, big facets in the surface model are segmented into several small ones, which are suitable for viewpoint planning. In the third step, an initial scan region of a viewpoint is grouped by the neighborhood search algorithm combining with total area and normal vector restrictions. Accordingly, the scan direction is determined by the normal vectors of facets in the initial scan region. In the fourth step, the position, the orientation, and the final scan region of the viewpoint are determined by 4 scan constraints, i.e., field of view, working distance range, view angle and overlap. Experimental results verify the effectiveness and advantages of the proposed method.展开更多
By processing the CSND Rayleigh wave data with the matched filter FTAN technique, Rayleigh wave dispersion for southeast China is obtained. The 4°×4°S wave dispersion of the pure path is calculated usin...By processing the CSND Rayleigh wave data with the matched filter FTAN technique, Rayleigh wave dispersion for southeast China is obtained. The 4°×4°S wave dispersion of the pure path is calculated using random inversion scheme, and 3-D S wave velocity structure is set up. Incorporating the above-mentioned results with wide angle seismic sounding data, we studied structure framework and the extending of faults in this area, which demonstrates that the depth of Moho in South China varies from 30 to 40 km, shallower from west to east. The depth of Moho varies from 25 to 28 km for the offshore. The depth of the asthenosphere in upper mantle varies from 60 to 100 km. The depth difference of layers at the two sides of Tanlu fault is more than 10 km at the south part of the Yangtze River, and the fault extends downward more than 170 km. The fault exceeds the main land at Hainan Island and slips into the southern China Sea. Both Tanlu fault and the huge bend of gravity gradient anomaly are influenced by展开更多
With the using of new full 3 - D interpretative technology, the carefully interpretation of the micro - amplitude structures and faults by the reprocessed 3 -D seismic data in IES (Interactive Exploration System) inte...With the using of new full 3 - D interpretative technology, the carefully interpretation of the micro - amplitude structures and faults by the reprocessed 3 -D seismic data in IES (Interactive Exploration System) interpretative system of Sun workstation is obtained. Because of the application of the well - advanced predictive technique for reservoir lithological changes, the predictive accuracy rate of drilling for 31 wells drilled in 1996 achieved 100 % and the economic and social benefits are desirable.展开更多
Nanostructured materials afford a promising potential for many energy storage applications because of their extraordinary electrochemical properties.However,the remarkable electrochemical energy storage performance co...Nanostructured materials afford a promising potential for many energy storage applications because of their extraordinary electrochemical properties.However,the remarkable electrochemical energy storage performance could only be harvested at a relatively low mass-loading via the traditional electrode fabrication process,and the scale of these materials into commercial-level mass-loading remains a daunting challenge because the ion diffusion kinetics deteriorates rapidly along with the increased thickness of the electrodes.Very recently,three-dimensional(3D)printing,a promising additive manufacturing technology,has been considered as an emerging method to address the aforementioned issues where the 3D printed electrodes could possess elaborately regulated architectures and rationally organized porosity.As a result,the outstanding electrochemical performance has been widely observed in energy storage devices made of 3D printed electrodes of high-mass loading.In this review,we systemically introduce the basic working principles of various 3D printing technologies and their practical applications to manufacture highmass loading electrodes for energy storage devices.Challenges and perspectives in 3D printing technologies for the construction of electrodes at the current stage are also outlined,aiming to offer some useful opinions for further development for this prosperous field.展开更多
基金supported by the National Natural Science Foundation of China (90816025, 10721062)National Basic Research Program of China (2006CB601205)Program for New Century Excellent Talents in University of the Ministry of Education of China (NCET-04-0272)
文摘Topology optimization of continuum structures with design-dependent loads has long been a challenge. In this paper, the topology optimization of 3D structures subjected to design-dependent loads is investigated. A boundary search scheme is proposed for 3D problems, by means of which the load surface can be identified effectively and efficiently, and the difficulties arising in other approaches can be overcome. The load surfaces are made up of the boundaries of finite elements and the loads can be directly applied to corresponding element nodes, which leads to great convenience in the application of this method. Finally, the effectiveness and efficiency of the proposed method is validated by several numerical examples.
基金funded by the Natural Science Foundation of Shandong Province, China (ZR2023MB049)the China Postdoctoral Science Foundation (2020M670483)the Science Foundation of Weifang University (2023BS11)。
文摘The catalyst layers(CLs) electrode is the key component of the membrane electrode assembly(MEA) in proton exchange membrane fuel cells(PEMFCs). Conventional electrodes for PEMFCs are composed of carbon-supported, ionomer, and Pt nanoparticles, all immersed together and sprayed with a micron-level thickness of CLs. They have a performance trade-off where increasing the Pt loading leads to higher performance of abundant triple-phase boundary areas but increases the electrode cost. Major challenges must be overcome before realizing its wide commercialization. Literature research revealed that it is impossible to achieve performance and durability targets with only high-performance catalysts, so the controllable design of CLs architecture in MEAs for PEMFCs must now be the top priority to meet industry goals. From this perspective, a 3D ordered electrode circumvents this issue with a support-free architecture and ultrathin thickness while reducing noble metal Pt loadings. Herein, we discuss the motivation in-depth and summarize the necessary CLs structural features for designing ultralow Pt loading electrodes. Critical issues that remain in progress for 3D ordered CLs must be studied and characterized. Furthermore, approaches for 3D ordered CLs architecture electrode development, involving material design, structure optimization, preparation technology, and characterization techniques, are summarized and are expected to be next-generation CLs for PEMFCs. Finally, the review concludes with perspectives on possible research directions of CL architecture to address the significant challenges in the future.
文摘The novelty of this research lies in the successful fabrication of a 3D-printed honeycomb structure filled with nanofillers for acoustic properties,utilizing an impedance tube setup in accordance with ASTM standard E 1050-12.The Creality Ender-3,a 3D printer,was used for printing the honeycomb structures,and polylactic acid(PLA)material was employed for their construction.The organic,inorganic,and polymeric compounds within the composites were identified using fourier transformation infrared(FTIR)spectroscopy.The structure and homogeneity of the samples were examined using a field emission scanning electron microscope(FESEM).To determine the sound absorption coefficient of the 3D printed honeycomb structure,numerous samples were systematically developed using central composite design(CCD)and analysed using response surface methodology(RSM).The RSM mathematical model was established to predict the optimum values of each factor and noise reduction coefficient(NRC).The optimum values for an NRC of 0.377 were found to be 1.116 wt% carbon black,1.025 wt% aluminium powder,and 3.151 mm distance between parallel edges.Overall,the results demonstrate that a 3Dprinted honeycomb structure filled with nanofillers is an excellent material that can be utilized in various fields,including defence and aviation,where lightweight and acoustic properties are of great importance.
文摘A 3D surface reconstruction method using a binocular stereo vision technology and a coded structured light,which combines a gray code with phase-shift has been studied.The accuracy of the 3 D surface reconstruction mainly depends on the decoding of gray code views and phase-shift views.In order to find the boundary accurately,gray code patterns and their inverses are projected onto a human eye plaster model.The period dislocation between the gray code views and the phase-shift views in the course of decoding has been analyzed and a new method has been proposed to solve it.The splicing method is based on feature points.The result of the 3D surface reconstruction shows the accuracy and reliability of our method.
基金Supported by the National Natural Science Foundation of China (No. 20962007)
文摘Fifteen novel 2-(3-oxobenzo[d]isothiazol-2(3H)-yl)ethyl benzoates were synthesi- zed by the condensation of 2-(2-hydroxyethyl)benzo[d]isothiazol-3(2H)-one with substituted benzoic acids in dichloromethane. All the compounds were characterized by elemental analysis, IR, ESI-MS and 1H NMR. The crystal structures for 2-(2-hydroxyethyl)benzo[d]isothiazol-3(2H)-one (2) and 2-(3-oxobenzo[d]isothiazol-2(3H)-yl)ethyl 2-methoxybenzoate (30) have been determined by X-ray crystal structure analysis. Compound 2 (C9H9NO2S) crystallizes in the monoclinic system, space group Pn with a = 10.552(3), b = 7.849(2), c = 10.765(4) A, β = 103.128(4)°, V= 868.3(5) A3, Mr = 195.24, Dc = 1.493 Mg.m-3, μ = 0.33 mm-1, F(000) = 408, Z = 4, R= 0.0314 and wR= 0.0628. Compound 30 (C17H15NO4S) crystallizes in the triclinic system, space group P1 with a = 8.028(2), b = 9.300(2), c = 10.430(3)A, V= 752.1(3)A3, Mr = 329.36, D,= 1.454 Mg.m-3, p = 0.24 mm-1, F(000) = 344, Z = 2, R = 0.0377 and wR = 0.0904. The preliminary biological test indicated that the title compounds show better growth inhibitory activity against the gram-positive bacteria than the gram-negative bacteria.
基金supported by the National Natural Science Foundation of China(No.21102099)
文摘The crystal structure of the title compound, diethyl 4,5-di(thienyl)-3,6-bis(trime- thylsilyl)phthalate (C26H3404S2Si2, Mr = 530.83), has been determined by single-crystal X-ray diffraction. The crystal belongs to the orthorhombic system, space group Pccn with a = 43.008(5), b = 10.9000(12), c = 11.9357(14) A, V= 5595.3(11) A3, Z = 8, F(000) = 2256, Dc= 1.260 mg/m3, p = 0.305 mm-1, T = 113(2) K, S = 1.090, R = 0.0413 and wR = 0.0969 for 5952 observed reflections with 1 〉 2o(/). The benzene ring system is planar and makes dihedral angles of 63.7(2) and 72.5(4) with the two thienyl rings A (C(23)-C(26), S(2)) and B (C(19)-C(22), S(1)), respectively. The UV-vis absorption and fluorescence of the title compound were discussed. The molecular structure of the title compound has been optimized using DFT method at the B3LYP/6-31G(d) level. The computational results showed that the optimized geometer parameters are consistent well with the experiment data. The vertical ionization potential, vertical electron affinity and frontier orbitals were also discussed.
基金supported by the National Natural Science Foundation of China (10772017 and 10472011)BUAA-985 Foundation
文摘A bionic experimental platform was designed for the purpose of investigating time accurate three-dimensional flow field, using digital particle image velocimetry (DSPIV). The wake behind the flapping trail of a robotic fish model was studied at high spatial resolution. The study was performed in a water channel. A robot fish model was designed and built. The model was fixed onto a rigid support frame- work using a cable-supporting method, with twelve stretched wires. The entire tail of the model can perform prescribed motions in two degrees of freedom, mainly in carangiform mode, by driving its afterbody and lunate caudal fin respectively. The DSPIV system was set up to operate in a trans- lational manner, measuring velocity field in a series of parallel slices. Phase locked measurements were repeated for a number of runs, allowing reconstruction of phase average flow field. Vortex structures with phase history of the wake were obtained. The study reveals some new and complex three-dimensional flow structures in the wake of the fish, including "reverse hairpin vortex" and "reverse Karman S-H vortex rings", allowing insight into physics of this complex flow.
基金Acknowledgements The authors gratefully acknowledge the financial support from the State Key Research Development Program of China (Grant No. 2016YFC0600705), the National Natural Science Foundation of China (Grant Nos. 51674251, 51727807, 51374213), the National Natural Science Foundation for Distinguished Young Scholars of China (Grant No. 51125017), the Fund for Creative Research and Development Group Program of Jiangsu Province (Grant No. 2014-27), and the Priority Academic Program Development of Jiangsu Higher Education Institutions (Grant No. PAPD2014), and an open project sponsored by the State Key Labo- ratory for Geomechanics and Deep Underground Engineering (Grant SKLGDUE K1318) for their financial support.
文摘Soil-rock mixture (SRM) is a unique type of geomaterial characterized by a heterogeneous composition and a complicated structure. It is intractable for the continuum-based soil and rock mechanics theories to accurately characterize and predict the SRM's mechanical properties. This study reports a novel numerical method incorporating microfocus computed tomography and PFC3D codes to probe the deformation and failure processes of SRM. The three-dimensional (3D) PFC models that represent the SRM's complex structures were built. By simulating the entire failure process in PFC3D, the SRM's strength, elastic modulus and crack growth were obtained. The influence of rock ratios on the SRM's strength, deformation and failure processes, as well as its internal mesoscale mechanism, were analyzed. By comparing simulation results with experimental data, it was verified that the 3D PFC models were in good agreement with SRM's real structure and the SRM's compression process, deformation and failure patterns; its intrinsic mesomechanism can be effectively analyzed based on such 3D PFC models.
基金The study (Project No. 85078) was supported by the Joint Foundation of Seismic Science.
文摘3D structure of the crust and upper mantle in the studied area has been analyzed from surface wave tomography. The velocity distribution in the uppermost crust is symmetrical on two sides of the central line of the sea, and coincides with the structure of crystalline basement. The essential difference in tectonics between the East China Sea and the Yellow Sea mainly lies in that the velocity structures of their lower crust and upper mantle are identical to those of South China and North China respectively. In the upper mantle there exists a high-velocity zone with a nearly EW strike from the Hangzhou Bay, China, to the Tokara Channel, Japan, along about the latitude of 30°N. It is found that between the East China Sea and the Yellow Sea there are systematical differences in geomorphology, geology, seismicity, heat flow, quality factor and gravity and aeromagnetic anomalies, which is related to both left-lateral shear dislocation and right-lateral tear of the Benioff zone from the Hangzhou Bay to the Tokara Channel.It is inferred that the East China Sea was formed by Cenozoic back-arc extension. The boundary between the North China and South China crustal blocks stretches along the southern piedmont of Mts. Daba-Dabie-Hangzhou Bay-Tokara Channel, and the subduction zone at the Okinawa trench is the eastern boundary of the South China crustal block. The movements of the Pacific plate, Indian plate and upper mantle rather than the Philippine plate subduction have played a dominant role for the modern tectonic movements in East Asia.
基金funded by the Saudi Basic Industries Corporation(SABIC) and the Deanship of Scientific Research(DSR),King Abdulaziz University,Jeddah,under grant no.(MS/15/396/1434)
文摘1,2-Benzothiazine derivatives methyl 3-methoxy-4-oxo-3,4-dihydro-2H-benzo[e] [1,2]thiazine-3-carboxylate 1,1-dioxide(1) and methyl 2-ethyl-3-hydroxy-4-oxo-3,4-dihydro-2Hbenzo[e][1,2]thiazine-3-carboxylate 1,1-dioxide(2) were synthesized, and characterized by spectroscopic techniques; 1H-NMR and infrared(IR) spectroscopy. Crystals of 1 and 2 were grown by slow evaporation of methanol and ethyl acetate, respectively and their crystal structures were investigated by single-crystal X-ray diffraction analysis. Geometric properties were calculated by the B3 LYP method of density functional theory(DFT) at the 6-31G+(d) basis set to compare with the experimental data. Simulated properties were found in strong agreement with the experimental ones. Intermolecular forces have also been modeled in order to investigate the strength of packing and strong hydrogen bonding was observed in both compounds 1 and 2. Electronic properties such as Ionization Potential(IP), Electron Affinities(EA) and coefficients of the highest occupied molecular orbital(HOMO) and the lowest unoccupied molecular orbital(LUMO) of com- pounds 1 and 2 were simulated for the first time.
文摘A 3- D free surface flow in open channels based on the Reynolds equations with the k-ε turbulence closure model is presented in this paper. Insted of the 'rigid lid' approximation, the solution of the free surface equation is implemented in the velocity-pressure iterative procedure on the basis of the conventional SIMPLE method. This model was used to compute the flow in rectangular channels with trenches dredged across the bottom. The velocity, eddy viscosity coefficient, turbulent shear stress, turbulent kinetic energy and elevation of the free surface can be obtained. The computed results are in good agreement with previous experimental data.
基金Supported by the Key Science and Technology Plan Projects of Hainan Province(No.ZDYF20160954)Natural Science Foundation of Hainan Province(No.20162025)Research Project of Hainan Provincial Department of Education(HNKY2014-39)
文摘Seven novel 3-(2-(heterocyclo-2-ylthio)ethoxy)benzo[d]isothiazoles(3a^3g) have been synthesized and characterized by ESI-MS and 1H and 13 C NMR spectra. The crystal structures of 3a and 3g have been determined. Compound 3a(C(11)H(11)N5O1S2) belongs to the monoclinic system and 3g(C(12)H(11)N3OS3) to the triclinic system. The title compounds show excellent in vitro antibacterial activities, with the minimum inhibitory concentrations varying from 4 to 32 ug/m L.
基金Foundation item: Supported by the National Natural Science Foundation of China (Grant Nos. 11302057, 11302056), the Fundamental Research Funds for the Central Universities (Grant No. HEUCF140115) and the Research Funds for State Key Laboratory of Ocean Engineering in Shanghai Jiao Tong University (Grant No. 1310).
文摘This paper presents a review of the work on fluid/structure impact based on inviscid and imcompressible liquid and irrotational flow. The focus is on the velocity potential theory together with boundary element method (BEM). Fully nonlinear boundary conditions are imposed on the unknown free surface and the wetted surface of the moving body. The review includes (1) vertical and oblique water entry of a body at constant or a prescribed varying speed, as well as free fall motion, (2) liquid droplets or column impact as well as wave impact on a body, (3) similarity solution of an expanding body. It covers two dimensional (2D), axisymmetric and three dimensional (3D) cases. Key techniques used in the numerical simulation are outlined, including mesh generation on the multivalued free surface, the stretched coordinate system for expanding domain, the auxiliary function method for decoupling the mutual dependence of the pressure and the body motion, and treatment for the jet or the thin liquid film developed during impact.
基金supported by a National Science and Technology Major Project(2017-VI-0007-0077)the National Defense Basic Scientific Research Program of China(JCIKYS2019607001)+3 种基金the National Defense S&T Pre-Research Foundation of China(6142905192509)the National Natural Science Foundation of China(51772246,51272210,50902112,and U1737209)the National Key R&D Program of China(2017YFB1103500 and 2017YFB1103501)Fundamental Research Funds for the Central Universities(3102019PJ008 and 3102018jcc002)。
文摘Superwetting surfaces have the potential to address oil pollution in water,through their ability to separate the two.However,it remains a great challenge to fabricate stable and efficient separation structures using conventional manufacturing techniques.Furthermore,the materials traditionally used for oil-water separation are not stable at high temperature.Therefore,there is a need to develop stable,customizable structures to improve the performance of oil-water separation devices.In recent years,3D printing technology has developed rapidly,and breakthroughs have been made in the fabrication of complicated ceramic structures using this technology.Here,a ceramic material with a gradient pore structure and superhydrophobic/superoleophilic properties was prepared using 3D printing for high-efficiency oil-water separation.The gradient pore structure developed here can support a flux of up to 25434 L/m^(2)h,which is nearly 40%higher than that an analogous structure with straight pores.At 200℃,the oil-water separation performance was maintained at 97.4%.Furthermore,samples of the material exhibited outstanding mechanical properties,and chemical stability in a variety of harsh environments.This study provides an efficient,simple,and reliable method for manufacturing oil-water separation materials using 3D printing,and may have broader implications for both fundamental research and industrial applications.
文摘This paper proposes an automatic model-based viewpoint planning method, which can achieve high precision and high efficiency for freeform surfaces inspection using plane structured light scanners. The surface model is utilized in stereolithography format, which is widely used as an industrial standard. The proposed method consists of 4 steps: topology reconstruction, mesh refinement, scan direction determination and viewpoint generation. In the first step, the topology structure of the surface model is reconstructed according to a designed data structure, based on which a neighborhood search algorithm is developed. In the second step, big facets in the surface model are segmented into several small ones, which are suitable for viewpoint planning. In the third step, an initial scan region of a viewpoint is grouped by the neighborhood search algorithm combining with total area and normal vector restrictions. Accordingly, the scan direction is determined by the normal vectors of facets in the initial scan region. In the fourth step, the position, the orientation, and the final scan region of the viewpoint are determined by 4 scan constraints, i.e., field of view, working distance range, view angle and overlap. Experimental results verify the effectiveness and advantages of the proposed method.
基金the "95" Key Project (Grant No. KZ2952-51-410) from the Chinese Academy of Sciences and a project from the National Natural Science Foundation of China.
文摘By processing the CSND Rayleigh wave data with the matched filter FTAN technique, Rayleigh wave dispersion for southeast China is obtained. The 4°×4°S wave dispersion of the pure path is calculated using random inversion scheme, and 3-D S wave velocity structure is set up. Incorporating the above-mentioned results with wide angle seismic sounding data, we studied structure framework and the extending of faults in this area, which demonstrates that the depth of Moho in South China varies from 30 to 40 km, shallower from west to east. The depth of Moho varies from 25 to 28 km for the offshore. The depth of the asthenosphere in upper mantle varies from 60 to 100 km. The depth difference of layers at the two sides of Tanlu fault is more than 10 km at the south part of the Yangtze River, and the fault extends downward more than 170 km. The fault exceeds the main land at Hainan Island and slips into the southern China Sea. Both Tanlu fault and the huge bend of gravity gradient anomaly are influenced by
文摘With the using of new full 3 - D interpretative technology, the carefully interpretation of the micro - amplitude structures and faults by the reprocessed 3 -D seismic data in IES (Interactive Exploration System) interpretative system of Sun workstation is obtained. Because of the application of the well - advanced predictive technique for reservoir lithological changes, the predictive accuracy rate of drilling for 31 wells drilled in 1996 achieved 100 % and the economic and social benefits are desirable.
基金China Postdoctoral Science Foundation,Grant/Award Number:2020M672166National Natural Science Foundation of China,Grant/Award Numbers:21975287,52002401+4 种基金Natural Science Foundation of Shandong Province,Grant/Award Number:ZR2018ZC1458Taishan Scholar Project of Shandong Province,Grant/Award Number:ts201712020Technological Leading Scholar of 10000 Talent Project,Grant/Award Number:W03020508Shandong Postdoctoral Program for Innovation Talents,Grant/Award Number:sdbX20190032Postdoctoral Applied Research Project of Qingdao,Grant/Award Number:qdyy20110014。
文摘Nanostructured materials afford a promising potential for many energy storage applications because of their extraordinary electrochemical properties.However,the remarkable electrochemical energy storage performance could only be harvested at a relatively low mass-loading via the traditional electrode fabrication process,and the scale of these materials into commercial-level mass-loading remains a daunting challenge because the ion diffusion kinetics deteriorates rapidly along with the increased thickness of the electrodes.Very recently,three-dimensional(3D)printing,a promising additive manufacturing technology,has been considered as an emerging method to address the aforementioned issues where the 3D printed electrodes could possess elaborately regulated architectures and rationally organized porosity.As a result,the outstanding electrochemical performance has been widely observed in energy storage devices made of 3D printed electrodes of high-mass loading.In this review,we systemically introduce the basic working principles of various 3D printing technologies and their practical applications to manufacture highmass loading electrodes for energy storage devices.Challenges and perspectives in 3D printing technologies for the construction of electrodes at the current stage are also outlined,aiming to offer some useful opinions for further development for this prosperous field.