A new coordination polymer, {[Cd(OPY)(tdc)(HO)]·H2 O}n(OPY = 4,4?-(oxybis(4,1-phenylene))dipyridine, H2 tdc = thiophene-2,5-dicarboxylic acid), has been synthesized hydrothermally based on a V-shaped ligand OPY. ...A new coordination polymer, {[Cd(OPY)(tdc)(HO)]·H2 O}n(OPY = 4,4?-(oxybis(4,1-phenylene))dipyridine, H2 tdc = thiophene-2,5-dicarboxylic acid), has been synthesized hydrothermally based on a V-shaped ligand OPY. The structure was fully characterized by elemental analysis, FT-IR spectroscopy, and X-ray single-crystal diffraction analysis. In1, two OPY ligands and one water molecule acted as terminal ligands coordinating to Cdcation to form [Cd(OPY)HO]units, which are then linked by tdc2-ligands to generate a one-dimensional chain. Every two adjacent chains linked by extensive O–H···O hydrogen bonds constitute one-dimensional double-chains, and such chains are extended into two-dimensional layers via O–H···N hydrogen bonds. These layers are further connected to form a three-dimensional supramolecular architecture via π-π stacking interactions. In addition, the thermal stability and solid state fluorescence property of 1 were also investigated.展开更多
Fluid-structure interaction(FSI) is a class of mechanics-related problems with mutual dependence between the fluid and structure parts and it is observable nearly everywhere, in natural phenomena to many engineering s...Fluid-structure interaction(FSI) is a class of mechanics-related problems with mutual dependence between the fluid and structure parts and it is observable nearly everywhere, in natural phenomena to many engineering systems. The primary challenges in developing numerical models with conventional grid-based methods are the inherent nonlinearity and timedependent nature of FSI, together with possible large deformations and moving interfaces. Smoothed particle hydrodynamics(SPH) method is a truly Lagrangian and meshfree particle method that conveniently treats large deformations and naturally captures rapidly moving interfaces and free surfaces. Since its invention, the SPH method has been widely applied to study different problems in engineering and sciences, including FSI problems. This article presents a review of the recent developments in SPH based modeling techniques for solving FSI-related problems. The basic concepts of SPH along with conventional and higher order particle approximation schemes are first introduced. Then, the implementation of FSI in a pure SPH framework and the hybrid approaches of SPH with other grid-based or particle-based methods are discussed. The SPH models of FSI problems with rigid, elastic and flexible structures, with granular materials, and with extremely intensive loadings are demonstrated. Some discussions on several key techniques in SPH including the balance of accuracy, stability and efficiency, the treatment of material interface, the coupling of SPH with other methods, and the particle regularization and adaptive particle resolution are provided as concluding marks.展开更多
The gas-liquid-solid three-phase mixed flow is the most general in multiphase mixed transportation. It is significant to exactly solve the coupling hydraulic transient problems of this type of multiphase mixed flow in...The gas-liquid-solid three-phase mixed flow is the most general in multiphase mixed transportation. It is significant to exactly solve the coupling hydraulic transient problems of this type of multiphase mixed flow in pipelines. Presently, the method of characteristics is widely used to solve classical hydraulic transient problems. However, when it is used to solve coupling hydraulic transient problems, excessive interpolation errors may be introduced into the results due to unavoidable multiwave interpolated calculations. To deal with the problem, a finite difference scheme based on the Steger- Warming flux vector splitting is proposed. A flux vector splitting scheme is established for the coupling hydraulic transient model of gas-liquid-solid three-phase mixed flow in the pipelines. The flux subvectors are then discretized by the Lax-Wendroff central difference scheme and the Warming-Beam upwind difference scheme with second-order precision in both time and space. Under the Rankine-Hugoniot conditions and the corresponding boundary conditions, an effective solution to those points located at the boundaries is developed, which can avoid the problem beyond the calculation region directly induced by the second-order discrete technique. Numerical and experimental verifications indicate that the proposed scheme has several desirable advantages including high calculation precision, excellent shock wave capture capability without false numerical oscillation, low sensitivity to the Courant number, and good stability.展开更多
The poor compatibility of ester electrolytes with lithium metal anode severely limits its use in high voltage lithium metal batteries(LMBs).In this work,a bidentate solvent 1,2-diethoxyethane(DEE) is introduced into e...The poor compatibility of ester electrolytes with lithium metal anode severely limits its use in high voltage lithium metal batteries(LMBs).In this work,a bidentate solvent 1,2-diethoxyethane(DEE) is introduced into ester electrolyte to regulate the ion-dipole interactions to enhance the solubility of LiNO_(3),which enables compatibility with Li anode and maintains the high voltage cathode stability.In the designed electrolyte,the steric effect of DEE facilitates the participation of NO_(3)^(-)and PF_6^(-)anions in the Li^(+) solvation structure,thus promoting the generation of inorganic-rich solid electrolyte interphase(SEI).And the low viscosity of DEE also ensures that the ester electrolyte poses good interracial wettability.As a result,our designed electrolyte enables the high-loading Li‖NCM622 and Li‖NCM811(^(3) mA h cm^(-2)) full cells to achieve stable cycling over 200 cycles,8 times longer than that of a conventional ester electrolyte.This work suggests that regulation of intermolecular interactions in conventional ester electrolytes is a scalable and effective approach to achieve excellent electrochemical performance of LMBs.展开更多
基金Supported by the National Natural Science Foundation of China(Nos.21361023 and 21461023)
文摘A new coordination polymer, {[Cd(OPY)(tdc)(HO)]·H2 O}n(OPY = 4,4?-(oxybis(4,1-phenylene))dipyridine, H2 tdc = thiophene-2,5-dicarboxylic acid), has been synthesized hydrothermally based on a V-shaped ligand OPY. The structure was fully characterized by elemental analysis, FT-IR spectroscopy, and X-ray single-crystal diffraction analysis. In1, two OPY ligands and one water molecule acted as terminal ligands coordinating to Cdcation to form [Cd(OPY)HO]units, which are then linked by tdc2-ligands to generate a one-dimensional chain. Every two adjacent chains linked by extensive O–H···O hydrogen bonds constitute one-dimensional double-chains, and such chains are extended into two-dimensional layers via O–H···N hydrogen bonds. These layers are further connected to form a three-dimensional supramolecular architecture via π-π stacking interactions. In addition, the thermal stability and solid state fluorescence property of 1 were also investigated.
基金supported by the National Natural Science Foundation of China(Grant No.51779003)the National Key Research and Development Project of China(Grant No.2018YFB0704000)
文摘Fluid-structure interaction(FSI) is a class of mechanics-related problems with mutual dependence between the fluid and structure parts and it is observable nearly everywhere, in natural phenomena to many engineering systems. The primary challenges in developing numerical models with conventional grid-based methods are the inherent nonlinearity and timedependent nature of FSI, together with possible large deformations and moving interfaces. Smoothed particle hydrodynamics(SPH) method is a truly Lagrangian and meshfree particle method that conveniently treats large deformations and naturally captures rapidly moving interfaces and free surfaces. Since its invention, the SPH method has been widely applied to study different problems in engineering and sciences, including FSI problems. This article presents a review of the recent developments in SPH based modeling techniques for solving FSI-related problems. The basic concepts of SPH along with conventional and higher order particle approximation schemes are first introduced. Then, the implementation of FSI in a pure SPH framework and the hybrid approaches of SPH with other grid-based or particle-based methods are discussed. The SPH models of FSI problems with rigid, elastic and flexible structures, with granular materials, and with extremely intensive loadings are demonstrated. Some discussions on several key techniques in SPH including the balance of accuracy, stability and efficiency, the treatment of material interface, the coupling of SPH with other methods, and the particle regularization and adaptive particle resolution are provided as concluding marks.
基金supported by the Natural Science Foundation Project of CQ CSTC (No. 2010BB7421)
文摘The gas-liquid-solid three-phase mixed flow is the most general in multiphase mixed transportation. It is significant to exactly solve the coupling hydraulic transient problems of this type of multiphase mixed flow in pipelines. Presently, the method of characteristics is widely used to solve classical hydraulic transient problems. However, when it is used to solve coupling hydraulic transient problems, excessive interpolation errors may be introduced into the results due to unavoidable multiwave interpolated calculations. To deal with the problem, a finite difference scheme based on the Steger- Warming flux vector splitting is proposed. A flux vector splitting scheme is established for the coupling hydraulic transient model of gas-liquid-solid three-phase mixed flow in the pipelines. The flux subvectors are then discretized by the Lax-Wendroff central difference scheme and the Warming-Beam upwind difference scheme with second-order precision in both time and space. Under the Rankine-Hugoniot conditions and the corresponding boundary conditions, an effective solution to those points located at the boundaries is developed, which can avoid the problem beyond the calculation region directly induced by the second-order discrete technique. Numerical and experimental verifications indicate that the proposed scheme has several desirable advantages including high calculation precision, excellent shock wave capture capability without false numerical oscillation, low sensitivity to the Courant number, and good stability.
基金financially National Natural Science Foundation of China (Grant No. 22209134)Fundamental Research Funds for the Central Universities, Southwest Minzu University (Grant No. ZYN2023003)+1 种基金Sichuan Science and Technology Program (Grant No. 2024NSFSC1155)Fundamental Research Funds for the Central Universities, Southwest Jiaotong University (Grant No. 2682023CX005)。
文摘The poor compatibility of ester electrolytes with lithium metal anode severely limits its use in high voltage lithium metal batteries(LMBs).In this work,a bidentate solvent 1,2-diethoxyethane(DEE) is introduced into ester electrolyte to regulate the ion-dipole interactions to enhance the solubility of LiNO_(3),which enables compatibility with Li anode and maintains the high voltage cathode stability.In the designed electrolyte,the steric effect of DEE facilitates the participation of NO_(3)^(-)and PF_6^(-)anions in the Li^(+) solvation structure,thus promoting the generation of inorganic-rich solid electrolyte interphase(SEI).And the low viscosity of DEE also ensures that the ester electrolyte poses good interracial wettability.As a result,our designed electrolyte enables the high-loading Li‖NCM622 and Li‖NCM811(^(3) mA h cm^(-2)) full cells to achieve stable cycling over 200 cycles,8 times longer than that of a conventional ester electrolyte.This work suggests that regulation of intermolecular interactions in conventional ester electrolytes is a scalable and effective approach to achieve excellent electrochemical performance of LMBs.
