Visual question answering(VQA)is a multimodal task,involving a deep understanding of the image scene and the question’s meaning and capturing the relevant correlations between both modalities to infer the appropriate...Visual question answering(VQA)is a multimodal task,involving a deep understanding of the image scene and the question’s meaning and capturing the relevant correlations between both modalities to infer the appropriate answer.In this paper,we propose a VQA system intended to answer yes/no questions about real-world images,in Arabic.To support a robust VQA system,we work in two directions:(1)Using deep neural networks to semantically represent the given image and question in a fine-grainedmanner,namely ResNet-152 and Gated Recurrent Units(GRU).(2)Studying the role of the utilizedmultimodal bilinear pooling fusion technique in the trade-o.between the model complexity and the overall model performance.Some fusion techniques could significantly increase the model complexity,which seriously limits their applicability for VQA models.So far,there is no evidence of how efficient these multimodal bilinear pooling fusion techniques are for VQA systems dedicated to yes/no questions.Hence,a comparative analysis is conducted between eight bilinear pooling fusion techniques,in terms of their ability to reduce themodel complexity and improve themodel performance in this case of VQA systems.Experiments indicate that these multimodal bilinear pooling fusion techniques have improved the VQA model’s performance,until reaching the best performance of 89.25%.Further,experiments have proven that the number of answers in the developed VQA system is a critical factor that a.ects the effectiveness of these multimodal bilinear pooling techniques in achieving their main objective of reducing the model complexity.The Multimodal Local Perception Bilinear Pooling(MLPB)technique has shown the best balance between the model complexity and its performance,for VQA systems designed to answer yes/no questions.展开更多
Complex network models are frequently employed for simulating and studyingdiverse real-world complex systems.Among these models,scale-free networks typically exhibit greater fragility to malicious attacks.Consequently...Complex network models are frequently employed for simulating and studyingdiverse real-world complex systems.Among these models,scale-free networks typically exhibit greater fragility to malicious attacks.Consequently,enhancing the robustness of scale-free networks has become a pressing issue.To address this problem,this paper proposes a Multi-Granularity Integration Algorithm(MGIA),which aims to improve the robustness of scale-free networks while keeping the initial degree of each node unchanged,ensuring network connectivity and avoiding the generation of multiple edges.The algorithm generates a multi-granularity structure from the initial network to be optimized,then uses different optimization strategies to optimize the networks at various granular layers in this structure,and finally realizes the information exchange between different granular layers,thereby further enhancing the optimization effect.We propose new network refresh,crossover,and mutation operators to ensure that the optimized network satisfies the given constraints.Meanwhile,we propose new network similarity and network dissimilarity evaluation metrics to improve the effectiveness of the optimization operators in the algorithm.In the experiments,the MGIA enhances the robustness of the scale-free network by 67.6%.This improvement is approximately 17.2%higher than the optimization effects achieved by eight currently existing complex network robustness optimization algorithms.展开更多
To extend a new family of aminophosphine-coordinated[FeFe]-hydrogenase mimics for catalytic hydro-gen(H_(2))evolution,we carried out the ligand substitutions of diiron hexacarbonyl precursors[Fe_(2)(μ-X_(2)pdt)(CO)_(...To extend a new family of aminophosphine-coordinated[FeFe]-hydrogenase mimics for catalytic hydro-gen(H_(2))evolution,we carried out the ligand substitutions of diiron hexacarbonyl precursors[Fe_(2)(μ-X_(2)pdt)(CO)_(6)](X_(2)pdt=(SCH_(2))_(2)CX_(2),X=Me,H)with aminodiphosphines(Ph_(2)PCH_(2))_(2)NY(Y=(CH_(2))_(2)OH,(CH_(2))_(3)OH)to obtain two new diiron aminophosphine complexes[Fe_(2)(L1)(μ-Me_(2)pdt)(CO)_(5)](1)and[Fe_(2)(L2)(μ-H_(2)pdt)(CO)_(5)](2),where L1=3-[(diphe-nylphosphaneyl)methyl]oxazolidine,L2=3-[(diphenylphosphaneyl)methyl]-1,3-oxazinane.Moreover,the structures of 1 and 2 have been fully confirmed by elemental analysis,spectroscopic techniques,and single-crystal X-ray diffraction.Using cyclic voltammetry(CV),we investigated the electrochemical redox performance and proton reduc-tion activities of 1 and 2 in acetic acid(HOAc).The CV study indicates that diiron aminophosphine complexes 1 and 2 can be considered to be hydrogenase-inspired diiron molecular electrocatalysts for the reduction of protons into H 2 generation in the presence of HOAc.CCDC:2443967,1;2443969,2.展开更多
A novel framework is established for accurate modeling of Powered Parafoil Unmanned Aerial Vehicle(PPUAV). The model is developed in the following three steps: obtaining a linear dynamic model, simplifying the model s...A novel framework is established for accurate modeling of Powered Parafoil Unmanned Aerial Vehicle(PPUAV). The model is developed in the following three steps: obtaining a linear dynamic model, simplifying the model structure, and estimating the model mismatch due to model variance and external disturbance factors. First, a six degree-of-freedom linear model, or the structured model, is obtained through dynamic establishment and linearization. Second, the data correlation analysis is adopted to determine the criterion for proper model complexity and to simplify the structured model. Next, an active model is established, combining the simplified model with the model mismatch estimator. An adapted Kalman filter is utilized for the real-time estimation of states and model mismatch. We finally derive a linear system model while taking into account of model variance and external disturbance. Actual flight tests verify the effectiveness of our active model in different flight scenarios.展开更多
Forest canopy reduces shortwave radiation and increases the incoming longwave radiation to snowpacks beneath forest canopies. Furthermore, the effect of forest canopy may be changed by complex topography. In this pape...Forest canopy reduces shortwave radiation and increases the incoming longwave radiation to snowpacks beneath forest canopies. Furthermore, the effect of forest canopy may be changed by complex topography. In this paper, we measured and simulated the incoming longwave radiation to snow beneath forest at different canopy openness in the west Tianshan Mountains, China(43°16'N, 84°24'E) during spring 2013. A sensitivity study was conducted to explore the way that terrain influenced the incoming longwave radiation to snow beneath forest canopies. In the simulation model, measurement datasets, including air temperature, incoming shortwave radiation above canopy, and longwave radiation enhanced by adjacent terrain, were applied to calculate the incoming longwave radiation to snow beneath forest canopy. The simulation results were consistent with the measurements on hourly scale and daily scale. The effect of longwave radiation enhanced by terrain was important than that of shortwave radiation above forest canopy with different openness except the 20% canopy openness. The longwave radiation enhanced due to adjacent terrain increases with the slope increase and temperature rise. When air temperature(or slope) is relatively low, thelongwave radiation enhanced by adjacent terrain is not sensitive to slope(or air temperature), but the sensitivity increases with the decrease of snow cover area on sunny slope. The effect of longwave radiation is especially sensitive when the snow cover on sunny slope melts completely. The effect of incoming shortwave radiation reflected by adjacent terrain on incoming longwave radiation to snow beneath forest canopies is more slight than that of the enhanced longwave radiation.展开更多
Thiosemicarbazones of 2-amino-5-chlorobenzophenone and 3-aminobenzophenone （L1-La） have been synthesized and their Cu（II） complexes （1-4） were afforded via coordination with cupric chloride. All these compounds ...Thiosemicarbazones of 2-amino-5-chlorobenzophenone and 3-aminobenzophenone （L1-La） have been synthesized and their Cu（II） complexes （1-4） were afforded via coordination with cupric chloride. All these compounds were characterized by UV-vis and lR spectroscopy together with CHN elemental analysis. NMR spectroscopy was also applied to characterize the ligands. In vitro cholinesterase inhibitory assays for the complexes （1-4） showed ICso values less than 10 ~molJL, with complex 1 exhibiting the most activity, ICso = 2.15 ~molJL and 2.16 i^molJL for AChE and BuChE, respectively. Molecular modeling simulation revealed the binding interaction template for complex I with the AChE and BuChE receptors. In DPPH assay, the complexes also showed more in vitro antioxidant activities in comt）arison tn their narent li^ands.展开更多
A complex geometric modeling method of a helical face gear pair with arc-tooth generated by an arc-profile cutting(APC)disc is proposed,and its tooth contact characteristics are analyzed.Firstly,the spatial coordinate...A complex geometric modeling method of a helical face gear pair with arc-tooth generated by an arc-profile cutting(APC)disc is proposed,and its tooth contact characteristics are analyzed.Firstly,the spatial coordinate system of an APC face gear pair is established based on meshing theory.Combining the coordinate transformation matrix and the tooth profile of the cutter,the equations of the curve envelope of the APC face gear pair are obtained.Then the surface equations are solved to extract the point clouds data by programming in MATLAB,which contains the work surface and the fillet surface of the APC face gear pair.And the complex geometric model of the APC face gear pair is built by fitting its point clouds.At last,through the analysis of the tooth surface contact,the sensitivity of the APC face gear to the different types of mounting errors is obtained.The results show that the APC face gear pair is the most sensitive to mounting errors in the tooth thickness direction,and it should be strictly controlled in the actual application.展开更多
A fuzzy modeling method for complex systems is studied. The notation of general stochastic neural network (GSNN) is presented and a new modeling method is given based on the combination of the modified Takagi and Suge...A fuzzy modeling method for complex systems is studied. The notation of general stochastic neural network (GSNN) is presented and a new modeling method is given based on the combination of the modified Takagi and Sugeno's (MTS) fuzzy model and one-order GSNN. Using expectation-maximization(EM) algorithm, parameter estimation and model selection procedures are given. It avoids the shortcomings brought by other methods such as BP algorithm, when the number of parameters is large, BP algorithm is still difficult to apply directly without fine tuning and subjective tinkering. Finally, the simulated example demonstrates the effectiveness.展开更多
Under the policy background and advocacy of carbon capture,utilization,and storage(CCUS),CO_(2)-EOR has become a promising direction in the shale oil reservoir industry.The multi-scale pore structure distribution and ...Under the policy background and advocacy of carbon capture,utilization,and storage(CCUS),CO_(2)-EOR has become a promising direction in the shale oil reservoir industry.The multi-scale pore structure distribution and fracture structure lead to complex multiphase flow,comprehensively considering multiple mechanisms is crucial for development and CO_(2) storage in fractured shale reservoirs.In this paper,a multi-mechanism coupled model is developed by MATLAB.Compared to the traditional Eclipse300 and MATLAB Reservoir Simulation Toolbox(MRST),this model considers the impact of pore structure on fluid phase behavior by the modified Peng—Robinson equation of state(PR-EOS),and the effect simultaneously radiate to Maxwell—Stefan(M—S)diffusion,stress sensitivity,the nano-confinement(NC)effect.Moreover,a modified embedded discrete fracture model(EDFM)is used to model the complex fractures,which optimizes connection types and half-transmissibility calculation approaches between non-neighboring connections(NNCs).The full implicit equation adopts the finite volume method(FVM)and Newton—Raphson iteration for discretization and solution.The model verification with the Eclipse300 and MRST is satisfactory.The results show that the interaction between the mechanisms significantly affects the production performance and storage characteristics.The effect of molecular diffusion may be overestimated in oil-dominated(liquid-dominated)shale reservoirs.The well spacing and injection gas rate are the most crucial factors affecting the production by sensitivity analysis.Moreover,the potential gas invasion risk is mentioned.This model provides a reliable theoretical basis for CO_(2)-EOR and sequestration in shale oil reservoirs.展开更多
In recent years,there has been a growing interest in graph convolutional networks(GCN).However,existing GCN and variants are predominantly based on simple graph or hypergraph structures,which restricts their ability t...In recent years,there has been a growing interest in graph convolutional networks(GCN).However,existing GCN and variants are predominantly based on simple graph or hypergraph structures,which restricts their ability to handle complex data correlations in practical applications.These limitations stem from the difficulty in establishing multiple hierarchies and acquiring adaptive weights for each of them.To address this issue,this paper introduces the latest concept of complex hypergraphs and constructs a versatile high-order multi-level data correlation model.This model is realized by establishing a three-tier structure of complexes-hypergraphs-vertices.Specifically,we start by establishing hyperedge clusters on a foundational network,utilizing a second-order hypergraph structure to depict potential correlations.For this second-order structure,truncation methods are used to assess and generate a three-layer composite structure.During the construction of the composite structure,an adaptive learning strategy is implemented to merge correlations across different levels.We evaluate this model on several popular datasets and compare it with recent state-of-the-art methods.The comprehensive assessment results demonstrate that the proposed model surpasses the existing methods,particularly in modeling implicit data correlations(the classification accuracy of nodes on five public datasets Cora,Citeseer,Pubmed,Github Web ML,and Facebook are 86.1±0.33,79.2±0.35,83.1±0.46,83.8±0.23,and 80.1±0.37,respectively).This indicates that our approach possesses advantages in handling datasets with implicit multi-level structures.展开更多
A natural extension of the Lorentz transformation to its complex version was constructed together with a parallel extension of the Minkowski M<sup>4</sup> model for special relativity (SR) to complex C<...A natural extension of the Lorentz transformation to its complex version was constructed together with a parallel extension of the Minkowski M<sup>4</sup> model for special relativity (SR) to complex C<sup>4</sup> space-time. As the [signed] absolute values of complex coordinates of the underlying motion’s characterization in C<sup>4</sup> one obtains a Newtonian-like type of motion whereas as the real parts of the complex motion’s description and of the complex Lorentz transformation, all the SR theory as modeled by M<sup>4</sup> real space-time can be recovered. This means all the SR theory is preserved in the real subspace M<sup>4</sup> of the space-time C<sup>4</sup> while becoming simpler and clearer in the new complex model’s framework. Since velocities in the complex model can be determined geometrically, with no primary use of time, time turns out to be definable within the equivalent theory of the reduced complex C<sup>4</sup> model to the C<sup>3</sup> “para-space” model. That procedure allows us to separate time from the (para)space and consider all the SR theory as a theory of C<sup>3</sup> alone. On the other hand, the complex time defined within the C<sup>3</sup> theory is interpreted and modeled by the single separate C<sup>1</sup> complex plane. The possibility for application of the C<sup>3</sup> model to quantum mechanics is suggested. As such, the model C<sup>3</sup> seems to have unifying abilities for application to different physical theories.展开更多
Two mono iron complexes Fe（CO）2PR3（NN） （R = Cy （3）, Ph （4）, NN = o-phenylenediamine dianion ligand, N2H2Ph2-） derived from the ligand substitution of Fe（CO）3hPR3 by the NN ligand were isolated and structur...Two mono iron complexes Fe（CO）2PR3（NN） （R = Cy （3）, Ph （4）, NN = o-phenylenediamine dianion ligand, N2H2Ph2-） derived from the ligand substitution of Fe（CO）3hPR3 by the NN ligand were isolated and structurally characterized by single crystal X-ray diffraction. They have a similar first coordination sphere and oxidation state of the iron center as the [Fe]-hydrogenase active site, and can be a model of it IR demonstrated that the effect of the NN ligand on the coordinated CO stretch- ing frequencies was due to its excellent electron donating ability. The reversible protonation/deprotonation of the NN ligand was identified by infrared spectroscopy and density functional theory computation. The NN ligand is an effective proton acceptor as the internal base of the cysteine thiolate ligand in [Fe]-hydrogenase. The electrochemical properties of complexes 3, 4 were investigated by cyclic voltammograms. Complex 3 catalyzed the transfer hydrogenation of benzoquinone to hydroquinone effectively under mild conditions.展开更多
Most previous land-surface model calibration studies have defined globalranges for their parameters to search for optimal parameter sets. Little work has been conducted tostudy the impacts of realistic versus global r...Most previous land-surface model calibration studies have defined globalranges for their parameters to search for optimal parameter sets. Little work has been conducted tostudy the impacts of realistic versus global ranges as well as model complexities on the calibrationand uncertainty estimates. The primary purpose of this paper is to investigate these impacts byemploying Bayesian Stochastic Inversion (BSI) to the Chameleon Surface Model (CHASM). The CHASM wasdesigned to explore the general aspects of land-surface energy balance representation within acommon modeling framework that can be run from a simple energy balance formulation to a complexmosaic type structure. The BSI is an uncertainty estimation technique based on Bayes theorem,importance sampling, and very fast simulated annealing. The model forcing data and surface flux datawere collected at seven sites representing a wide range of climate and vegetation conditions. Foreach site, four experiments were performed with simple and complex CHASM formulations as well asrealistic and global parameter ranges. Twenty eight experiments were conducted and 50 000 parametersets were used for each run. The results show that the use of global and realistic ranges givessimilar simulations for both modes for most sites, but the global ranges tend to produce someunreasonable optimal parameter values. Comparison of simple and complex modes shows that the simplemode has more parameters with unreasonable optimal values. Use of parameter ranges and modelcomplexities have significant impacts on frequency distribution of parameters, marginal posteriorprobability density functions, and estimates of uncertainty of simulated sensible and latent heatfluxes. Comparison between model complexity and parameter ranges shows that the former has moresignificant impacts on parameter and uncertainty estimations.展开更多
Considering both the compaction effect of pile surrounding soil and the stress diffusion effect of pile end soil,this paper theoretically investigates the torsional vibration characteristics of tapered pile.Utilizing ...Considering both the compaction effect of pile surrounding soil and the stress diffusion effect of pile end soil,this paper theoretically investigates the torsional vibration characteristics of tapered pile.Utilizing the complex stiffness transfer model to simulate compaction effect and tapered fictitious soil pile model to simulate stress diffusion,the analytical solution for the torsional impedance at tapered pile top is obtained by virtue of Laplace transform technique and impedance transfer method.Based on the present solution,a parametric study is conducted to investigate the rationality of the present solution and the influence of soil and pile properties on the torsional vibration characteristics of tapered pile embedded in layered soil.The results show that,both the compaction effect and stress diffusion effect have significant influence on the torsional vibration characteristics of tapered pile,and these two factors should be considered during the dynamic design of pile foundation.展开更多
In the last century, there has been a significant development in the evaluation of methods to predict ground movement due to underground extraction. Some remarkable developments in three-dimensional computational meth...In the last century, there has been a significant development in the evaluation of methods to predict ground movement due to underground extraction. Some remarkable developments in three-dimensional computational methods have been supported in civil engineering, subsidence engineering and mining engineering practice. However, ground movement problem due to mining extraction sequence is effectively four dimensional （4D）. A rational prediction is getting more and more important for long-term underground mining planning. Hence, computer-based analytical methods that realistically simulate spatially distributed time-dependent ground movement process are needed for the reliable long-term underground mining planning to minimize the surface environmental damages. In this research, a new computational system is developed to simulate four-dimensional （4D） ground movement by combining a stochastic medium theory, Knothe time-delay model and geographic information system （GIS） technology. All the calculations are implemented by a computational program, in which the components of GIS are used to fulfill the spatial-temporal analysis model. In this paper a tight coupling strategy based on component object model of GIS technology is used to overcome the problems of complex three-dimensional extraction model and spatial data integration. Moreover, the implementation of computational of the interfaces of the developed tool is described. The GIS based developed tool is validated by two study cases. The developed computational tool and models are achieved within the GIS system so the effective and efficient calculation methodology can be obtained, so the simulation problems of 4D ground movement due to underground mining extraction sequence can be solved by implementation of the developed tool in GIS.展开更多
We discuss here the complexity of the doses of traditional Chinese medicine(TCM) prescriptions and herbs from different viewpoints,including the heterogeneity of drug quality,the flexibility of prescriptions,and the d...We discuss here the complexity of the doses of traditional Chinese medicine(TCM) prescriptions and herbs from different viewpoints,including the heterogeneity of drug quality,the flexibility of prescriptions,and the diversity of drug effects.Then,the corresponding research ideas and strategies are proposed.We can reveal the actual situation of clinical doses based on in-depth "real-world study" of the safety and effectiveness of TCM prescriptions,create an analytical method for dose-effect relationships in accordance with the features of TCM,and reveal the correlated regular nature of the effectiveness and dosage of TCM prescriptions and herbs.展开更多
In this study,the surface properties and adsorption properties of the Le An River sedi- ment were modelled via surface complexation approach.The model parameters were determined based on the data of our potentiometric...In this study,the surface properties and adsorption properties of the Le An River sedi- ment were modelled via surface complexation approach.The model parameters were determined based on the data of our potentiometric titration experiments and the metal adsorption experiments with the Le An River sediment samples.Consequently,the surface complexation models for the natural sediment,in our case the Le An River sediments,which can interpret the experimental data very well were successfully established.Three typical surface complexation models that is the con- stant capacitance model,the diffuse layer model and the triple layer model,were considered in this research.This work indicated that the consistency and the interdependency among model parame- ters together with the selection of the surface adsorbed species should be emphasized.展开更多
To accurately describe the evolving features of Mobile Ad Hoc Networks (MANETs) and to improve the performance of such networks, an evolving topology model with local-area preference is proposed. The aim of the model,...To accurately describe the evolving features of Mobile Ad Hoc Networks (MANETs) and to improve the performance of such networks, an evolving topology model with local-area preference is proposed. The aim of the model, which is analyzed by the mean field theory, is to optimize network structures based on users' behaviors in MANETs. The analysis results indicate that the network generated by this evolving model is a kind of scale-free network. This evolving model can improve the fault-tolerance performance of networks by balancing the connectivity and two factors, i.e., the remaining energy and the distance to nodes. The simulation results show that the evolving topology model has superior performance in reducing the traffic load and the energy consumption, prolonging network lifetime and improving the scalability of networks. It is an available approach for establishing and analyzing actual MANETs.展开更多
Using DFT/TDDFT methods,the excited-state lifetimes of Ru（Ⅱ） polypyridyl complexes were computed accurately and the reason of Ru（Ⅱ） polypyridyl complexes with long excited-state lifetimes was explained by the el...Using DFT/TDDFT methods,the excited-state lifetimes of Ru（Ⅱ） polypyridyl complexes were computed accurately and the reason of Ru（Ⅱ） polypyridyl complexes with long excited-state lifetimes was explained by the electron-transfer distances and HOMO-LUMO gaps.Finally,the photovoltaic conversion efficiencies of complexes were predicted using DFT and docking methods.This work has provided methods of predicting the excited-state lifetimes and photovoltaic conversion efficiencies of Ru（Ⅱ） polypyridyl complexes.展开更多
文摘Visual question answering(VQA)is a multimodal task,involving a deep understanding of the image scene and the question’s meaning and capturing the relevant correlations between both modalities to infer the appropriate answer.In this paper,we propose a VQA system intended to answer yes/no questions about real-world images,in Arabic.To support a robust VQA system,we work in two directions:(1)Using deep neural networks to semantically represent the given image and question in a fine-grainedmanner,namely ResNet-152 and Gated Recurrent Units(GRU).(2)Studying the role of the utilizedmultimodal bilinear pooling fusion technique in the trade-o.between the model complexity and the overall model performance.Some fusion techniques could significantly increase the model complexity,which seriously limits their applicability for VQA models.So far,there is no evidence of how efficient these multimodal bilinear pooling fusion techniques are for VQA systems dedicated to yes/no questions.Hence,a comparative analysis is conducted between eight bilinear pooling fusion techniques,in terms of their ability to reduce themodel complexity and improve themodel performance in this case of VQA systems.Experiments indicate that these multimodal bilinear pooling fusion techniques have improved the VQA model’s performance,until reaching the best performance of 89.25%.Further,experiments have proven that the number of answers in the developed VQA system is a critical factor that a.ects the effectiveness of these multimodal bilinear pooling techniques in achieving their main objective of reducing the model complexity.The Multimodal Local Perception Bilinear Pooling(MLPB)technique has shown the best balance between the model complexity and its performance,for VQA systems designed to answer yes/no questions.
基金National Natural Science Foundation of China(11971211,12171388).
文摘Complex network models are frequently employed for simulating and studyingdiverse real-world complex systems.Among these models,scale-free networks typically exhibit greater fragility to malicious attacks.Consequently,enhancing the robustness of scale-free networks has become a pressing issue.To address this problem,this paper proposes a Multi-Granularity Integration Algorithm(MGIA),which aims to improve the robustness of scale-free networks while keeping the initial degree of each node unchanged,ensuring network connectivity and avoiding the generation of multiple edges.The algorithm generates a multi-granularity structure from the initial network to be optimized,then uses different optimization strategies to optimize the networks at various granular layers in this structure,and finally realizes the information exchange between different granular layers,thereby further enhancing the optimization effect.We propose new network refresh,crossover,and mutation operators to ensure that the optimized network satisfies the given constraints.Meanwhile,we propose new network similarity and network dissimilarity evaluation metrics to improve the effectiveness of the optimization operators in the algorithm.In the experiments,the MGIA enhances the robustness of the scale-free network by 67.6%.This improvement is approximately 17.2%higher than the optimization effects achieved by eight currently existing complex network robustness optimization algorithms.
文摘To extend a new family of aminophosphine-coordinated[FeFe]-hydrogenase mimics for catalytic hydro-gen(H_(2))evolution,we carried out the ligand substitutions of diiron hexacarbonyl precursors[Fe_(2)(μ-X_(2)pdt)(CO)_(6)](X_(2)pdt=(SCH_(2))_(2)CX_(2),X=Me,H)with aminodiphosphines(Ph_(2)PCH_(2))_(2)NY(Y=(CH_(2))_(2)OH,(CH_(2))_(3)OH)to obtain two new diiron aminophosphine complexes[Fe_(2)(L1)(μ-Me_(2)pdt)(CO)_(5)](1)and[Fe_(2)(L2)(μ-H_(2)pdt)(CO)_(5)](2),where L1=3-[(diphe-nylphosphaneyl)methyl]oxazolidine,L2=3-[(diphenylphosphaneyl)methyl]-1,3-oxazinane.Moreover,the structures of 1 and 2 have been fully confirmed by elemental analysis,spectroscopic techniques,and single-crystal X-ray diffraction.Using cyclic voltammetry(CV),we investigated the electrochemical redox performance and proton reduc-tion activities of 1 and 2 in acetic acid(HOAc).The CV study indicates that diiron aminophosphine complexes 1 and 2 can be considered to be hydrogenase-inspired diiron molecular electrocatalysts for the reduction of protons into H 2 generation in the presence of HOAc.CCDC:2443967,1;2443969,2.
基金co-supported by the National Nature Sciences Foundation of China (Nos. 61503369 and 61528303)the State Key Laboratory of Roboticsthe Chinese National Key Technology R&D Program (No. Y4A12081010)
文摘A novel framework is established for accurate modeling of Powered Parafoil Unmanned Aerial Vehicle(PPUAV). The model is developed in the following three steps: obtaining a linear dynamic model, simplifying the model structure, and estimating the model mismatch due to model variance and external disturbance factors. First, a six degree-of-freedom linear model, or the structured model, is obtained through dynamic establishment and linearization. Second, the data correlation analysis is adopted to determine the criterion for proper model complexity and to simplify the structured model. Next, an active model is established, combining the simplified model with the model mismatch estimator. An adapted Kalman filter is utilized for the real-time estimation of states and model mismatch. We finally derive a linear system model while taking into account of model variance and external disturbance. Actual flight tests verify the effectiveness of our active model in different flight scenarios.
基金funded by National Key Technology Research and Development Program of the Ministry of Science and Technology of China(Grant No.2012BAC23B01)National Natural Science Foundation of China(Grant Nos.41271098,41171066)China Special Fund for Meteorological Research in the Public Interest(GYHY201206026)
文摘Forest canopy reduces shortwave radiation and increases the incoming longwave radiation to snowpacks beneath forest canopies. Furthermore, the effect of forest canopy may be changed by complex topography. In this paper, we measured and simulated the incoming longwave radiation to snow beneath forest at different canopy openness in the west Tianshan Mountains, China(43°16'N, 84°24'E) during spring 2013. A sensitivity study was conducted to explore the way that terrain influenced the incoming longwave radiation to snow beneath forest canopies. In the simulation model, measurement datasets, including air temperature, incoming shortwave radiation above canopy, and longwave radiation enhanced by adjacent terrain, were applied to calculate the incoming longwave radiation to snow beneath forest canopy. The simulation results were consistent with the measurements on hourly scale and daily scale. The effect of longwave radiation enhanced by terrain was important than that of shortwave radiation above forest canopy with different openness except the 20% canopy openness. The longwave radiation enhanced due to adjacent terrain increases with the slope increase and temperature rise. When air temperature(or slope) is relatively low, thelongwave radiation enhanced by adjacent terrain is not sensitive to slope(or air temperature), but the sensitivity increases with the decrease of snow cover area on sunny slope. The effect of longwave radiation is especially sensitive when the snow cover on sunny slope melts completely. The effect of incoming shortwave radiation reflected by adjacent terrain on incoming longwave radiation to snow beneath forest canopies is more slight than that of the enhanced longwave radiation.
基金Universiti Sains Malaysia -Science Fund Grant No.1001/PK1M1A/823003 and RU Grant No. 1001/PKIMIA/811196 for the financial support of this work
文摘Thiosemicarbazones of 2-amino-5-chlorobenzophenone and 3-aminobenzophenone （L1-La） have been synthesized and their Cu（II） complexes （1-4） were afforded via coordination with cupric chloride. All these compounds were characterized by UV-vis and lR spectroscopy together with CHN elemental analysis. NMR spectroscopy was also applied to characterize the ligands. In vitro cholinesterase inhibitory assays for the complexes （1-4） showed ICso values less than 10 ~molJL, with complex 1 exhibiting the most activity, ICso = 2.15 ~molJL and 2.16 i^molJL for AChE and BuChE, respectively. Molecular modeling simulation revealed the binding interaction template for complex I with the AChE and BuChE receptors. In DPPH assay, the complexes also showed more in vitro antioxidant activities in comt）arison tn their narent li^ands.
基金Project(51805368)supported by the National Natural Science Foundation of ChinaProject(2018QNRC001)supported by the Young Elite Scientists Sponsorship Program,China+1 种基金Project(DMETKF2021017)supported by the Fund of State Key Laboratory of Digital Manufacturing Equipment and Technology,Huazhong University of Science and Technology,ChinaProject(HTL-0-21G07)supported by the National key Laboratory of Science and Technology on Heicopter Transmission,China。
文摘A complex geometric modeling method of a helical face gear pair with arc-tooth generated by an arc-profile cutting(APC)disc is proposed,and its tooth contact characteristics are analyzed.Firstly,the spatial coordinate system of an APC face gear pair is established based on meshing theory.Combining the coordinate transformation matrix and the tooth profile of the cutter,the equations of the curve envelope of the APC face gear pair are obtained.Then the surface equations are solved to extract the point clouds data by programming in MATLAB,which contains the work surface and the fillet surface of the APC face gear pair.And the complex geometric model of the APC face gear pair is built by fitting its point clouds.At last,through the analysis of the tooth surface contact,the sensitivity of the APC face gear to the different types of mounting errors is obtained.The results show that the APC face gear pair is the most sensitive to mounting errors in the tooth thickness direction,and it should be strictly controlled in the actual application.
文摘A fuzzy modeling method for complex systems is studied. The notation of general stochastic neural network (GSNN) is presented and a new modeling method is given based on the combination of the modified Takagi and Sugeno's (MTS) fuzzy model and one-order GSNN. Using expectation-maximization(EM) algorithm, parameter estimation and model selection procedures are given. It avoids the shortcomings brought by other methods such as BP algorithm, when the number of parameters is large, BP algorithm is still difficult to apply directly without fine tuning and subjective tinkering. Finally, the simulated example demonstrates the effectiveness.
基金supported by the National Natural Science Foundation of China(No.52174038 and No.52004307)China Petroleum Science and Technology Project-Major Project-Research on Tight Oil-Shale Oil Reservoir Engineering Methods and Key Technologies in Ordos Basin(No.ZLZX2020-02-04)Science Foundation of China University of Petroleum,Beijing(No.2462018YJRC015)。
文摘Under the policy background and advocacy of carbon capture,utilization,and storage(CCUS),CO_(2)-EOR has become a promising direction in the shale oil reservoir industry.The multi-scale pore structure distribution and fracture structure lead to complex multiphase flow,comprehensively considering multiple mechanisms is crucial for development and CO_(2) storage in fractured shale reservoirs.In this paper,a multi-mechanism coupled model is developed by MATLAB.Compared to the traditional Eclipse300 and MATLAB Reservoir Simulation Toolbox(MRST),this model considers the impact of pore structure on fluid phase behavior by the modified Peng—Robinson equation of state(PR-EOS),and the effect simultaneously radiate to Maxwell—Stefan(M—S)diffusion,stress sensitivity,the nano-confinement(NC)effect.Moreover,a modified embedded discrete fracture model(EDFM)is used to model the complex fractures,which optimizes connection types and half-transmissibility calculation approaches between non-neighboring connections(NNCs).The full implicit equation adopts the finite volume method(FVM)and Newton—Raphson iteration for discretization and solution.The model verification with the Eclipse300 and MRST is satisfactory.The results show that the interaction between the mechanisms significantly affects the production performance and storage characteristics.The effect of molecular diffusion may be overestimated in oil-dominated(liquid-dominated)shale reservoirs.The well spacing and injection gas rate are the most crucial factors affecting the production by sensitivity analysis.Moreover,the potential gas invasion risk is mentioned.This model provides a reliable theoretical basis for CO_(2)-EOR and sequestration in shale oil reservoirs.
基金Project supported by the National Natural Science Foundation of China(Grant Nos.12275179 and 11875042)the Natural Science Foundation of Shanghai Municipality,China(Grant No.21ZR1443900)。
文摘In recent years,there has been a growing interest in graph convolutional networks(GCN).However,existing GCN and variants are predominantly based on simple graph or hypergraph structures,which restricts their ability to handle complex data correlations in practical applications.These limitations stem from the difficulty in establishing multiple hierarchies and acquiring adaptive weights for each of them.To address this issue,this paper introduces the latest concept of complex hypergraphs and constructs a versatile high-order multi-level data correlation model.This model is realized by establishing a three-tier structure of complexes-hypergraphs-vertices.Specifically,we start by establishing hyperedge clusters on a foundational network,utilizing a second-order hypergraph structure to depict potential correlations.For this second-order structure,truncation methods are used to assess and generate a three-layer composite structure.During the construction of the composite structure,an adaptive learning strategy is implemented to merge correlations across different levels.We evaluate this model on several popular datasets and compare it with recent state-of-the-art methods.The comprehensive assessment results demonstrate that the proposed model surpasses the existing methods,particularly in modeling implicit data correlations(the classification accuracy of nodes on five public datasets Cora,Citeseer,Pubmed,Github Web ML,and Facebook are 86.1±0.33,79.2±0.35,83.1±0.46,83.8±0.23,and 80.1±0.37,respectively).This indicates that our approach possesses advantages in handling datasets with implicit multi-level structures.
文摘A natural extension of the Lorentz transformation to its complex version was constructed together with a parallel extension of the Minkowski M<sup>4</sup> model for special relativity (SR) to complex C<sup>4</sup> space-time. As the [signed] absolute values of complex coordinates of the underlying motion’s characterization in C<sup>4</sup> one obtains a Newtonian-like type of motion whereas as the real parts of the complex motion’s description and of the complex Lorentz transformation, all the SR theory as modeled by M<sup>4</sup> real space-time can be recovered. This means all the SR theory is preserved in the real subspace M<sup>4</sup> of the space-time C<sup>4</sup> while becoming simpler and clearer in the new complex model’s framework. Since velocities in the complex model can be determined geometrically, with no primary use of time, time turns out to be definable within the equivalent theory of the reduced complex C<sup>4</sup> model to the C<sup>3</sup> “para-space” model. That procedure allows us to separate time from the (para)space and consider all the SR theory as a theory of C<sup>3</sup> alone. On the other hand, the complex time defined within the C<sup>3</sup> theory is interpreted and modeled by the single separate C<sup>1</sup> complex plane. The possibility for application of the C<sup>3</sup> model to quantum mechanics is suggested. As such, the model C<sup>3</sup> seems to have unifying abilities for application to different physical theories.
基金supported by the National Natural Science Foundation of China(21103121,21276187)Tianjin Municipal Natural Science Foundation(13JCQNJC05800)the Specialized Research Fund for the Doctoral Program of Higher Education(20121317110009)~~
文摘Two mono iron complexes Fe（CO）2PR3（NN） （R = Cy （3）, Ph （4）, NN = o-phenylenediamine dianion ligand, N2H2Ph2-） derived from the ligand substitution of Fe（CO）3hPR3 by the NN ligand were isolated and structurally characterized by single crystal X-ray diffraction. They have a similar first coordination sphere and oxidation state of the iron center as the [Fe]-hydrogenase active site, and can be a model of it IR demonstrated that the effect of the NN ligand on the coordinated CO stretch- ing frequencies was due to its excellent electron donating ability. The reversible protonation/deprotonation of the NN ligand was identified by infrared spectroscopy and density functional theory computation. The NN ligand is an effective proton acceptor as the internal base of the cysteine thiolate ligand in [Fe]-hydrogenase. The electrochemical properties of complexes 3, 4 were investigated by cyclic voltammograms. Complex 3 catalyzed the transfer hydrogenation of benzoquinone to hydroquinone effectively under mild conditions.
文摘Most previous land-surface model calibration studies have defined globalranges for their parameters to search for optimal parameter sets. Little work has been conducted tostudy the impacts of realistic versus global ranges as well as model complexities on the calibrationand uncertainty estimates. The primary purpose of this paper is to investigate these impacts byemploying Bayesian Stochastic Inversion (BSI) to the Chameleon Surface Model (CHASM). The CHASM wasdesigned to explore the general aspects of land-surface energy balance representation within acommon modeling framework that can be run from a simple energy balance formulation to a complexmosaic type structure. The BSI is an uncertainty estimation technique based on Bayes theorem,importance sampling, and very fast simulated annealing. The model forcing data and surface flux datawere collected at seven sites representing a wide range of climate and vegetation conditions. Foreach site, four experiments were performed with simple and complex CHASM formulations as well asrealistic and global parameter ranges. Twenty eight experiments were conducted and 50 000 parametersets were used for each run. The results show that the use of global and realistic ranges givessimilar simulations for both modes for most sites, but the global ranges tend to produce someunreasonable optimal parameter values. Comparison of simple and complex modes shows that the simplemode has more parameters with unreasonable optimal values. Use of parameter ranges and modelcomplexities have significant impacts on frequency distribution of parameters, marginal posteriorprobability density functions, and estimates of uncertainty of simulated sensible and latent heatfluxes. Comparison between model complexity and parameter ranges shows that the former has moresignificant impacts on parameter and uncertainty estimations.
基金Projects(51578164,51678547,51878634,51878185,41807262)supported by the National Natural Science Foundation of China。
文摘Considering both the compaction effect of pile surrounding soil and the stress diffusion effect of pile end soil,this paper theoretically investigates the torsional vibration characteristics of tapered pile.Utilizing the complex stiffness transfer model to simulate compaction effect and tapered fictitious soil pile model to simulate stress diffusion,the analytical solution for the torsional impedance at tapered pile top is obtained by virtue of Laplace transform technique and impedance transfer method.Based on the present solution,a parametric study is conducted to investigate the rationality of the present solution and the influence of soil and pile properties on the torsional vibration characteristics of tapered pile embedded in layered soil.The results show that,both the compaction effect and stress diffusion effect have significant influence on the torsional vibration characteristics of tapered pile,and these two factors should be considered during the dynamic design of pile foundation.
文摘In the last century, there has been a significant development in the evaluation of methods to predict ground movement due to underground extraction. Some remarkable developments in three-dimensional computational methods have been supported in civil engineering, subsidence engineering and mining engineering practice. However, ground movement problem due to mining extraction sequence is effectively four dimensional （4D）. A rational prediction is getting more and more important for long-term underground mining planning. Hence, computer-based analytical methods that realistically simulate spatially distributed time-dependent ground movement process are needed for the reliable long-term underground mining planning to minimize the surface environmental damages. In this research, a new computational system is developed to simulate four-dimensional （4D） ground movement by combining a stochastic medium theory, Knothe time-delay model and geographic information system （GIS） technology. All the calculations are implemented by a computational program, in which the components of GIS are used to fulfill the spatial-temporal analysis model. In this paper a tight coupling strategy based on component object model of GIS technology is used to overcome the problems of complex three-dimensional extraction model and spatial data integration. Moreover, the implementation of computational of the interfaces of the developed tool is described. The GIS based developed tool is validated by two study cases. The developed computational tool and models are achieved within the GIS system so the effective and efficient calculation methodology can be obtained, so the simulation problems of 4D ground movement due to underground mining extraction sequence can be solved by implementation of the developed tool in GIS.
基金Supported by Scientific Research Special Project of TCM Profession (200907001E)Science and Technology Special Major Project for "Significant New Drugs Formulation"(2009ZX09301-005)
文摘We discuss here the complexity of the doses of traditional Chinese medicine(TCM) prescriptions and herbs from different viewpoints,including the heterogeneity of drug quality,the flexibility of prescriptions,and the diversity of drug effects.Then,the corresponding research ideas and strategies are proposed.We can reveal the actual situation of clinical doses based on in-depth "real-world study" of the safety and effectiveness of TCM prescriptions,create an analytical method for dose-effect relationships in accordance with the features of TCM,and reveal the correlated regular nature of the effectiveness and dosage of TCM prescriptions and herbs.
基金This work was supported by the National Natural Science Foundation of China.
文摘In this study,the surface properties and adsorption properties of the Le An River sedi- ment were modelled via surface complexation approach.The model parameters were determined based on the data of our potentiometric titration experiments and the metal adsorption experiments with the Le An River sediment samples.Consequently,the surface complexation models for the natural sediment,in our case the Le An River sediments,which can interpret the experimental data very well were successfully established.Three typical surface complexation models that is the con- stant capacitance model,the diffuse layer model and the triple layer model,were considered in this research.This work indicated that the consistency and the interdependency among model parame- ters together with the selection of the surface adsorbed species should be emphasized.
基金supported by National Science and Technology Major Project under Grant No. 2012ZX03004001the National Natural Science Foundation of China under Grant No. 60971083
文摘To accurately describe the evolving features of Mobile Ad Hoc Networks (MANETs) and to improve the performance of such networks, an evolving topology model with local-area preference is proposed. The aim of the model, which is analyzed by the mean field theory, is to optimize network structures based on users' behaviors in MANETs. The analysis results indicate that the network generated by this evolving model is a kind of scale-free network. This evolving model can improve the fault-tolerance performance of networks by balancing the connectivity and two factors, i.e., the remaining energy and the distance to nodes. The simulation results show that the evolving topology model has superior performance in reducing the traffic load and the energy consumption, prolonging network lifetime and improving the scalability of networks. It is an available approach for establishing and analyzing actual MANETs.
基金supported by the Research Foundation of the National Natural Science Foundation of China(No.U1204209)the Major Program of the Natural Science of Anhui University(No.KJ2016SD52)+1 种基金the Key Program of the Natural Science of Anhui University for Young and Middle-aged Key Talent to Study in the Domestic(No.gxfx ZD2016097)Undergraduates Innovating Project(No.201510373083)
文摘Using DFT/TDDFT methods,the excited-state lifetimes of Ru（Ⅱ） polypyridyl complexes were computed accurately and the reason of Ru（Ⅱ） polypyridyl complexes with long excited-state lifetimes was explained by the electron-transfer distances and HOMO-LUMO gaps.Finally,the photovoltaic conversion efficiencies of complexes were predicted using DFT and docking methods.This work has provided methods of predicting the excited-state lifetimes and photovoltaic conversion efficiencies of Ru（Ⅱ） polypyridyl complexes.
