The multi-point dynamic aggregation(MPDA)problem is a challenging real-world problem.In the MPDA problem,the demands of tasks keep changing with their inherent incremental rates,while a heterogeneous robot fleet is re...The multi-point dynamic aggregation(MPDA)problem is a challenging real-world problem.In the MPDA problem,the demands of tasks keep changing with their inherent incremental rates,while a heterogeneous robot fleet is required to travel between these tasks to change the time-varying state of each task.The robots are allowed to collaborate on the same task or work separately until all tasks are completed.It is challenging to generate an effective task execution plan due to the tight coupling between robots abilities and tasks'incremental rates,and the complexity of robot collaboration.For effectiveness consideration,we use the variable length encoding to avoid redundancy in the solution space.We creatively use the adaptive large neighborhood search(ALNS)framework to solve the MPDA problem.In the proposed algorithm,high-quality initial solutions are generated through multiple problem-specific solution construction heuristics.These heuristics are also used to fix the broken solution in the novel integrated decoding-construction repair process of the ALNS framework.The results of statistical analysis by the Wilcoxon rank-sum test demonstrate that the proposed ALNS can obtain better task execution plans than some state-of-the-art algorithms in most MPDA instances.展开更多
To overcome the limitations of microscale experimental techniques and molecular dynamics(MD)simulations,a coarse-grained molecular dynamics(CGMD)method was used to simulate the wetting processes of clay aggregates.Bas...To overcome the limitations of microscale experimental techniques and molecular dynamics(MD)simulations,a coarse-grained molecular dynamics(CGMD)method was used to simulate the wetting processes of clay aggregates.Based on the evolution of swelling stress,final dry density,water distribution,and clay arrangements under different target water contents and dry densities,a relationship between the swelling behaviors and microstructures was established.The simulated results showed that when the clay-water well depth was 300 kcal/mol,the basal spacing from CGMD was consistent with the X-ray diffraction(XRD)data.The effect of initial dry density on swelling stress was more pronounced than that of water content.The anisotropic swelling characteristics of the aggregates are related to the proportion of horizontally oriented clay mineral layers.The swelling stress was found to depend on the distribution of tactoids at the microscopic level.At lower initial dry density,the distribution of tactoids was mainly controlled by water distribution.With increase in the bound water content,the basal spacing expanded,and the swelling stresses increased.Free water dominated at higher water contents,and the particles were easily rotated,leading to a decrease in the number of large tactoids.At higher dry densities,the distances between the clay mineral layers decreased,and the movement was limited.When bound water enters the interlayers,there is a significant increase in interparticle repulsive forces,resulting in a greater number of small-sized tactoids.Eventually,a well-defined logarithmic relationship was observed between the swelling stress and the total number of tactoids.These findings contribute to a better understanding of coupled macro-micro swelling behaviors of montmorillonite-based materials,filling a study gap in clay-water interactions on a micro scale.展开更多
Asphaltene aggregation is a subject under vivid discussion:There are several parameters one needs to determine before its behavior can be mastered and better target solutions can be tailored.The nature of asphaltene a...Asphaltene aggregation is a subject under vivid discussion:There are several parameters one needs to determine before its behavior can be mastered and better target solutions can be tailored.The nature of asphaltene aggregation(colloidal or supramolecular)and the role of solvents and their mixtures are among the least understood parameters in asphaltene science.This paper addresses molecular dynamic simulations to correlate the aggregation properties of asphaltenes,their molecular structure and the concentration of these solvents.We show that the formation of the nanoaggregate depends,primarily,on the size of the conjugated core and on the eventual presence of polar groups capable of forming H-bonds.Heteroatoms on the conjugated core do not change their shape or type of aggregation but may induce stronger π-π interactions.The macroaggregation formation depends upon the length of the lateral chains of asphaltenes and also on the presence of polar groups at its end.Moreover,n-heptane and water may interact selectively with asphaltenes in function of their molecular architecture.Given this fact and the aggregation behavior observed,we advocate toward the assumption that a colloidal behavior of asphaltenes might be a particular case of a more general model,based on a supramolecular description.展开更多
To tackle the problem of simultaneous localization and mapping(SLAM) in dynamic environments, a novel algorithm using landscape theory of aggregation is presented. By exploiting the coherent explanation how actors for...To tackle the problem of simultaneous localization and mapping(SLAM) in dynamic environments, a novel algorithm using landscape theory of aggregation is presented. By exploiting the coherent explanation how actors form alignments in a game provided by the landscape theory of aggregation, the algorithm is able to explicitly deal with the ever-changing relationship between the static objects and the moving objects without any prior models of the moving objects. The effectiveness of the method has been validated by experiments in two representative dynamic environments: the campus road and the urban road.展开更多
Breaking water-in-oil emulsions during the refining of crude oils is an important step before any upgrading process is started.Asphaltene molecules are incriminated as playing an important role in this phenomenon.Unra...Breaking water-in-oil emulsions during the refining of crude oils is an important step before any upgrading process is started.Asphaltene molecules are incriminated as playing an important role in this phenomenon.Unraveling the mechanisms behind the affinity between them and water is a key step to understand how to break these emulsions more easily and require lower amounts of demulsifiers.Choosing which demulsifier molecule(s)to use is also primordial,but to do so rationally,one needs to know which are the molecular interactions in place between asphaltenes,porphyrins and water so that demulsifiers are chosen to destabilize a specific physical–chemical interaction.In this paper,we study the interactions arising between asphaltenes and porphyrins and six different molecules potentially displaying a demulsification action in the presence of water/oil interfaces.We demonstrate that the ionic demulsifier molecules present an interesting potential to either interact strongly with water,replacing asphaltenes in this interaction,or to interact with the active sites of asphaltenes,deactivating them and avoiding any asphaltenic interfacial activity.Finally,we also found that although asphaltenes do not migrate spontaneously toward the water/oil interfaces,porphyrins do so rather easily.This indicates that porphyrins do have an important activity at the water/oil interface.展开更多
The mobility and aggregation behavior of macromolecular lubricant oxidation products and their influences on the performance of base stock were probed by molecular dynamics(MD)simulation.The mean square displacement(M...The mobility and aggregation behavior of macromolecular lubricant oxidation products and their influences on the performance of base stock were probed by molecular dynamics(MD)simulation.The mean square displacement(MSD)of molecules was calculated to explore the mobility of molecules.The distribution appearance of lubricant oxidation products in models was acquired to explore the aggregation of molecules.The results show that the mobility of macromolecular oxidation products is lower than that of base stock.The MSD of macromolecular oxidation products reduces with an increasing macromolecular weight.Macromolecular oxidation products can also decrease the mobility of base stock.The interaction energy between the macromolecules and the base stock soars with the increase of macromolecular weight.Macromolecules with a larger molecular weight can affect more base stock molecules with stronger restriction,which leads to lower mobility of base stock molecules.There are aggregates formed among macromolecular oxidation products,and the molecules in aggregates are connected by hydrogen bonds.The quantity of hydrogen bonds in aggregates is related to temperature.展开更多
Surfactant molecules, when dispersed in solution, have been shown to spontaneously form aggregates. Our previous studies on molecular dynamics(MD) calculations have shown that ionic sodium dodecyl sulfate molecules qu...Surfactant molecules, when dispersed in solution, have been shown to spontaneously form aggregates. Our previous studies on molecular dynamics(MD) calculations have shown that ionic sodium dodecyl sulfate molecules quickly aggregated even when the aggregation number is small. The aggregation rate, however, decreased for larger aggregation numbers. In addition, studies have shown that micelle formation was not completed even after a 100 ns-long MD run(Chem. Phys. Lett. 2016, 646, 36). Herein, we analyze the free energy change of micelle formation based on chemical species model combined with molecular dynamics calculations. First, the free energy landscape of the aggregation, ?G_(i+j)^+, where two aggregates with sizes i and j associate to form the(i + j)-mer, was investigated using the free energy of micelle formation of the i-mer, G_i^+, which was obtained through MD calculations. The calculated ?G_(i+j)^+ was negative for all the aggregations where the sum of DS ions in the two aggregates was 60 or less. From the viewpoint of chemical equilibrium, aggregation to the stable micelle is desired. Further, the free energy profile along possible aggregation pathways was investigated, starting from small aggregates and ending with the complete thermodynamically stable micelles in solution. The free energy profiles, G(l, k), of the aggregates at l-th aggregation path and k-th state were evaluated by the formation free energy ∑_in_i( l,k)G_i^+ and the free energy of mixing ∑_in_i( l,k)k_BTln( n_i( l,k)/n( l,k)), where ni(l, k) is the number of i-mer in the system at the l-th i aggregation path and k-th state, with n(l,k)= ∑_n_i( l,k). All the aggregation pathways were obtained from the initial i state of 12 pentamers to the stable micelle with i = 60. All the calculated G(l, k) values monotonically decreased with increasing k. This indicates that there are no free energy barriers along the pathways. Hence, the slowdown is not due to the thermodynamic stability of the aggregates, but rather the kinetics that inhibit the association of the fragments. The time required for a collision between aggregates, one of the kinetic factors, was evaluated using the fast passage time, t_(FPT). The calculated t_(FPT) was about 20 ns for the aggregates with N = 31. Therefore, if aggregation is a diffusion-controlled process, it should be completed within the 100 ns-simulation. However, aggregation does not occur due to the free energy barrier between the aggregates, that is, the repulsive force acting on them. This may be caused by electrostatic repulsions produced by the overlap of the electric double layers, which are formed by the negative charge of the hydrophilic groups and counter sodium ions on the surface of the aggregates.展开更多
A comprehensive simulation model--deposition, diffusion, rotation and aggregation--is presented to demonstrate the post-deposition phenomena of multiple cluster growth on liquid surfaces, such as post-deposition nucle...A comprehensive simulation model--deposition, diffusion, rotation and aggregation--is presented to demonstrate the post-deposition phenomena of multiple cluster growth on liquid surfaces, such as post-deposition nucleation, post- deposition growth and post-deposition coalescence. Emphasis is placed on the relaxations of monomer density, dimer density and cluster density as well as combined cluster-plus-monomer density with time after deposition ending. It is shown that post-deposition coalescence largely takes place after deposition due to the large mobility of clusters on liquid surfaces, while the post-deposition nucleation is only possible before the saturation cluster density is reached at the end of the deposition. The deposition flux and the moment of deposition ending play important roles in the post-deposition dynamics.展开更多
We present the results of molecular dynamics simulations of net positively charged fullerene nanoparticles in salt- free and salt-added solution. The aggregation of fullerene （C60）-like nanoparticle and counterion a...We present the results of molecular dynamics simulations of net positively charged fullerene nanoparticles in salt- free and salt-added solution. The aggregation of fullerene （C60）-like nanoparticle and counterion are studied in detail as a function of temperatures and a finite salt concentration. Our simulations show that the strong conformation changes as temperature changes. The net positively-charged nanoparticles do not repel each other but are condensed under proper temperatures. If salts are added, the aggregated nanoparticles will be disaggregated due to the Debye screening effect.展开更多
The interface properties between hydrated cement paste(hcp)and aggregates largely determine the various performances of concrete.In this work,molecular dynamics simulations were employed to explore the atomistic inter...The interface properties between hydrated cement paste(hcp)and aggregates largely determine the various performances of concrete.In this work,molecular dynamics simulations were employed to explore the atomistic interaction mechanisms between the commonly used aggregate phase calcite/silica and calcium silicate hydrates(C-S-H),as well as the effect of moisture.The results suggest that the C-S-H/calcite interface is relatively strong and stable under both dry and moist conditions,which is caused by the high-strength interfacial connections formed between calcium ions from calcite and high-polarity non-bridging oxygen atoms from the C-S-H surface.Silica can be also adsorbed on the dry C-S-H surface by the H-bonds;however,the presence of water molecules on the interface may substantially decrease the affinities.Furthermore,the dynamics interface separation tests of C-S-H/aggregates were also implemented by molecular dynamics.The shape of the calculated stress-separation distance curves obeys the quasi-static cohesive law obtained experimentally.The moisture conditions and strain rates were found to affect the separation process of C-S-H/silica.A wetter interface and smaller loading rate may lead to a lower adhesion strength.The mechanisms interpreted here may shed new lights on the understandings of hcp/aggregate interactions at a nano-length scale and creation of high performance cementitious materials.展开更多
To broaden the frequency width and increase the damping coefficient of a dynamic pressure damper, we designed an aggregative dynamic pressure damper (ADPD). Combined with the advantages of traditional dynamic pressure...To broaden the frequency width and increase the damping coefficient of a dynamic pressure damper, we designed an aggregative dynamic pressure damper (ADPD). Combined with the advantages of traditional dynamic pressure dampers (TDPD), ADPD can not only increase the damping coefficient in wide frequency range for valve control system, but also absorb partial pressure pulsations and impacts in the low and high frequency fields. Based on the theoretical research and the analysis compared with TDPD, we concluded that the ADPD was superior to the TDPD in the middle high frequency field, and the main parameters influencing the performance of the damper were the damping stiffness, orifice flow coefficient, pre-charge pressure, and the volume of the damper accumulator.展开更多
This study is to explore the influence of maximum aggregate size(MAS)on the failure and corresponding size effect of concrete materials under low strain rates.The failure process of concrete was simulated by the mesos...This study is to explore the influence of maximum aggregate size(MAS)on the failure and corresponding size effect of concrete materials under low strain rates.The failure process of concrete was simulated by the mesoscale numerical method considering the internal heterogeneity of concrete and strain rate effect.Based on the mesoscale method,the failure behavior of concrete specimens with different structural sizes and MAS was investigated.Also,the influence of MAS on the failure modes,nominal strength and corresponding size effect of concrete were studied at the meso-scale.The simulation results indicated that MAS has an obvious influence on the failure modes of concrete subjected to axial compressive and tensile loads.The nominal tensile strength increased as the MAS increased,while the nominal compressive strength increased first and then decreased as the MAS increases under quasi-static load.In addition,it was found that the size effect on nominal strength of concrete would be weakened with the increase of strain rate.When the applied strain rate reached 1 s^-1,the size effect on nominal strength of concrete disappeard.Moreover,the MAS has an ignorable influence on the dynamic size effect of concrete under uniaxial compression and tension.展开更多
This paper presents a comprehensive overview of distributed Nash equilibrium(NE)seeking algorithms in non-cooperative games for multiagent systems(MASs),with a distinct emphasis on the dynamic control perspective.It s...This paper presents a comprehensive overview of distributed Nash equilibrium(NE)seeking algorithms in non-cooperative games for multiagent systems(MASs),with a distinct emphasis on the dynamic control perspective.It specifically focuses on the research addressing distributed NE seeking problems in which agents are governed by heterogeneous dynamics.The paper begins by introducing fundamental concepts of general non-cooperative games and the NE,along with definitions of specific game structures such as aggregative games and multi-cluster games.It then systematically reviews existing studies on distributed NE seeking for various classes of MASs from the viewpoint of agent dynamics,including first-order,second-order,high-order,linear,and Euler-Lagrange(EL)systems.Furthermore,the paper highlights practical applications of these theoretical advances in cooperative control scenarios involving autonomous systems with complex dynamics,such as autonomous surface vessels,autonomous aerial vehicles,and other autonomous vehicles.Finally,the paper outlines several promising directions for future research.展开更多
Dynamic sign language recognition holds significant importance, particularly with the application of deep learning to address its complexity. However, existing methods face several challenges. Firstly, recognizing dyn...Dynamic sign language recognition holds significant importance, particularly with the application of deep learning to address its complexity. However, existing methods face several challenges. Firstly, recognizing dynamic sign language requires identifying keyframes that best represent the signs, and missing these keyframes reduces accuracy. Secondly, some methods do not focus enough on hand regions, which are small within the overall frame, leading to information loss. To address these challenges, we propose a novel Video Transformer Attention-based Network (VTAN) for dynamic sign language recognition. Our approach prioritizes informative frames and hand regions effectively. To tackle the first issue, we designed a keyframe extraction module enhanced by a convolutional autoencoder, which focuses on selecting information-rich frames and eliminating redundant ones from the video sequences. For the second issue, we developed a soft attention-based transformer module that emphasizes extracting features from hand regions, ensuring that the network pays more attention to hand information within sequences. This dual-focus approach improves effective dynamic sign language recognition by addressing the key challenges of identifying critical frames and emphasizing hand regions. Experimental results on two public benchmark datasets demonstrate the effectiveness of our network, outperforming most of the typical methods in sign language recognition tasks.展开更多
We construct recurrence plots(RPs)and conduct recurrence quantification analysis(RQA)to investigate the dynamic properties of the new Center for Financial Stability(CFS)Divisia monetary aggregates for the United State...We construct recurrence plots(RPs)and conduct recurrence quantification analysis(RQA)to investigate the dynamic properties of the new Center for Financial Stability(CFS)Divisia monetary aggregates for the United States.In this study,we use the lat-est vintage of Divisia aggregates,maintained within CFS.We use monthly data,from January 1967 to December 2020,which is a sample period that includes the extreme economic events of the 2007–2009 global financial crisis.We then make comparisons between narrow and broad Divisia money measures and find evidence of a nonlinear but reserved possible chaotic explanation of their origin.The application of RPs to broad Divisia monetary aggregates encompasses an additional drift structure around the global financial crisis in 2008.Applying the moving window RQA to the growth rates of narrow and broad Divisia monetary aggregates,we identify periods of changes in data-generating processes and associate such changes to monetary policy regimes and financial innovations that occurred during those times.展开更多
Recently,large-scale deep learning models have been increasingly adopted for point cloud classification.However,thesemethods typically require collecting extensive datasets frommultiple clients,which may lead to priva...Recently,large-scale deep learning models have been increasingly adopted for point cloud classification.However,thesemethods typically require collecting extensive datasets frommultiple clients,which may lead to privacy leaks.Federated learning provides an effective solution to data leakage by eliminating the need for data transmission,relying instead on the exchange of model parameters.However,the uneven distribution of client data can still affect the model’s ability to generalize effectively.To address these challenges,we propose a new framework for point cloud classification called Federated Dynamic Aggregation Selection Strategy-based Multi-Receptive Field Fusion Classification Framework(FDASS-MRFCF).Specifically,we tackle these challenges with two key innovations:(1)During the client local training phase,we propose a Multi-Receptive Field Fusion Classification Model(MRFCM),which captures local and global structures in point cloud data through dynamic convolution and multi-scale feature fusion,enhancing the robustness of point cloud classification.(2)In the server aggregation phase,we introduce a Federated Dynamic Aggregation Selection Strategy(FDASS),which employs a hybrid strategy to average client model parameters,skip aggregation,or reallocate local models to different clients,thereby balancing global consistency and local diversity.We evaluate our framework using the ModelNet40 and ShapeNetPart benchmarks,demonstrating its effectiveness.The proposed method is expected to significantly advance the field of point cloud classification in a secure environment.展开更多
Dynamic rheological characteristics of polypropylene (PP) filled with ultra-fine full-vulcanized powdered rubber (UFPR) composed of styrene-butadiene copolymer were studied through dynamic rheological measurements on ...Dynamic rheological characteristics of polypropylene (PP) filled with ultra-fine full-vulcanized powdered rubber (UFPR) composed of styrene-butadiene copolymer were studied through dynamic rheological measurements on an Advanced Rheometric Expansion System (ARES). A specific viscoelastic phenomenon, i.e. 'the second plateau', appeared at low frequencies, and exhibits a certain dependence on the amount of rubber particles and the dispersion state in the matrix. This phenomenon is attributed to the formation of aggregation structure of rubber particles. The analyses of Cole-Cole diagrams of the dynamic viscoelastic functions suggest that the heterogeneity of the composites is enhanced on increasing both particle content and temperature.展开更多
In this paper we discuss policy iteration methods for approximate solution of a finite-state discounted Markov decision problem, with a focus on feature-based aggregation methods and their connection with deep reinfor...In this paper we discuss policy iteration methods for approximate solution of a finite-state discounted Markov decision problem, with a focus on feature-based aggregation methods and their connection with deep reinforcement learning schemes. We introduce features of the states of the original problem, and we formulate a smaller "aggregate" Markov decision problem, whose states relate to the features. We discuss properties and possible implementations of this type of aggregation, including a new approach to approximate policy iteration. In this approach the policy improvement operation combines feature-based aggregation with feature construction using deep neural networks or other calculations. We argue that the cost function of a policy may be approximated much more accurately by the nonlinear function of the features provided by aggregation, than by the linear function of the features provided by neural networkbased reinforcement learning, thereby potentially leading to more effective policy improvement.展开更多
Specific ion effects(Hofmeister effects)have recently attracted the attention of soil scientists,and it has been found that ionic non-classic polarization plays an important role in the specific ion effect in soil.How...Specific ion effects(Hofmeister effects)have recently attracted the attention of soil scientists,and it has been found that ionic non-classic polarization plays an important role in the specific ion effect in soil.However,this explanation cannot be applied to H+.The aim of this work was to characterize the specific ion effect of H+on variably charged soil(yellow soil)colloid aggregation.The total average aggregation(TAA)rate,critical coagulation concentration(CCC),activation energy,and zeta potential were used to characterize and compare the specific ion effects of H+,K+,and Na+.Results showed that strong specific ion effects of H+,K+,and Na+existed in variably charged soil colloid aggregation.The TAA rate,CCC,and activation energy were sensitive to H+,and the addition of a small amount of H+changed the TAA rate,CCC,and activation energy markedly.The zeta potential results indicated that the specific ion effects of H+,K+,and Na+on soil colloid aggregation were caused by the specific ion effects of H+,K+,and Na+on the soil electric field strength.In addition,the origin of the specific ion effect for H+was its chemical adsorption onto surfaces,while those for alkali cations were non-classic polarization.This study indicated that H+,which occurs naturally in variably charged soils,will dominate variably charged soil colloid aggregation.展开更多
An adaptive weighted stereo matching algorithm with multilevel and bidirectional dynamic programming based on ground control points (GCPs) is presented. To decrease time complexity without losing matching precision, u...An adaptive weighted stereo matching algorithm with multilevel and bidirectional dynamic programming based on ground control points (GCPs) is presented. To decrease time complexity without losing matching precision, using a multilevel search scheme, the coarse matching is processed in typical disparity space image, while the fine matching is processed in disparity-offset space image. In the upper level, GCPs are obtained by enhanced volumetric iterative algorithm enforcing the mutual constraint and the threshold constraint. Under the supervision of the highly reliable GCPs, bidirectional dynamic programming framework is employed to solve the inconsistency in the optimization path. In the lower level, to reduce running time, disparity-offset space is proposed to efficiently achieve the dense disparity image. In addition, an adaptive dual support-weight strategy is presented to aggregate matching cost, which considers photometric and geometric information. Further, post-processing algorithm can ameliorate disparity results in areas with depth discontinuities and related by occlusions using dual threshold algorithm, where missing stereo information is substituted from surrounding regions. To demonstrate the effectiveness of the algorithm, we present the two groups of experimental results for four widely used standard stereo data sets, including discussion on performance and comparison with other methods, which show that the algorithm has not only a fast speed, but also significantly improves the efficiency of holistic optimization.展开更多
基金supported in part by the National Outstanding Youth Talents Support Program(No.61822304)the Basic Science Center Program of the NSFC(No.62088101)+2 种基金the Project of Major International(Regional)Joint Research Program of NSFC(No.61720106011)the Shanghai Municipal Science and Technology Major Project(No.2021SHZDZX0100)the Shanghai Municipal Commission of Science and Technology Project(No.19511132101).
文摘The multi-point dynamic aggregation(MPDA)problem is a challenging real-world problem.In the MPDA problem,the demands of tasks keep changing with their inherent incremental rates,while a heterogeneous robot fleet is required to travel between these tasks to change the time-varying state of each task.The robots are allowed to collaborate on the same task or work separately until all tasks are completed.It is challenging to generate an effective task execution plan due to the tight coupling between robots abilities and tasks'incremental rates,and the complexity of robot collaboration.For effectiveness consideration,we use the variable length encoding to avoid redundancy in the solution space.We creatively use the adaptive large neighborhood search(ALNS)framework to solve the MPDA problem.In the proposed algorithm,high-quality initial solutions are generated through multiple problem-specific solution construction heuristics.These heuristics are also used to fix the broken solution in the novel integrated decoding-construction repair process of the ALNS framework.The results of statistical analysis by the Wilcoxon rank-sum test demonstrate that the proposed ALNS can obtain better task execution plans than some state-of-the-art algorithms in most MPDA instances.
基金supported by the National Natural Science Foundation of China(Grant No.42172308)the Youth Innovation Promotion Association CAS(Grant No.2022331)the Key Research and Development Program of Hubei Province(Grant No.2022BAA036).
文摘To overcome the limitations of microscale experimental techniques and molecular dynamics(MD)simulations,a coarse-grained molecular dynamics(CGMD)method was used to simulate the wetting processes of clay aggregates.Based on the evolution of swelling stress,final dry density,water distribution,and clay arrangements under different target water contents and dry densities,a relationship between the swelling behaviors and microstructures was established.The simulated results showed that when the clay-water well depth was 300 kcal/mol,the basal spacing from CGMD was consistent with the X-ray diffraction(XRD)data.The effect of initial dry density on swelling stress was more pronounced than that of water content.The anisotropic swelling characteristics of the aggregates are related to the proportion of horizontally oriented clay mineral layers.The swelling stress was found to depend on the distribution of tactoids at the microscopic level.At lower initial dry density,the distribution of tactoids was mainly controlled by water distribution.With increase in the bound water content,the basal spacing expanded,and the swelling stresses increased.Free water dominated at higher water contents,and the particles were easily rotated,leading to a decrease in the number of large tactoids.At higher dry densities,the distances between the clay mineral layers decreased,and the movement was limited.When bound water enters the interlayers,there is a significant increase in interparticle repulsive forces,resulting in a greater number of small-sized tactoids.Eventually,a well-defined logarithmic relationship was observed between the swelling stress and the total number of tactoids.These findings contribute to a better understanding of coupled macro-micro swelling behaviors of montmorillonite-based materials,filling a study gap in clay-water interactions on a micro scale.
基金Isifor-Carnot Institute and Total Refining & Chemicals are also acknowledged for their financial support to this research project
文摘Asphaltene aggregation is a subject under vivid discussion:There are several parameters one needs to determine before its behavior can be mastered and better target solutions can be tailored.The nature of asphaltene aggregation(colloidal or supramolecular)and the role of solvents and their mixtures are among the least understood parameters in asphaltene science.This paper addresses molecular dynamic simulations to correlate the aggregation properties of asphaltenes,their molecular structure and the concentration of these solvents.We show that the formation of the nanoaggregate depends,primarily,on the size of the conjugated core and on the eventual presence of polar groups capable of forming H-bonds.Heteroatoms on the conjugated core do not change their shape or type of aggregation but may induce stronger π-π interactions.The macroaggregation formation depends upon the length of the lateral chains of asphaltenes and also on the presence of polar groups at its end.Moreover,n-heptane and water may interact selectively with asphaltenes in function of their molecular architecture.Given this fact and the aggregation behavior observed,we advocate toward the assumption that a colloidal behavior of asphaltenes might be a particular case of a more general model,based on a supramolecular description.
基金Project(XK100070532)supported by Beijing Education Committee Cooperation Building Foundation,China
文摘To tackle the problem of simultaneous localization and mapping(SLAM) in dynamic environments, a novel algorithm using landscape theory of aggregation is presented. By exploiting the coherent explanation how actors form alignments in a game provided by the landscape theory of aggregation, the algorithm is able to explicitly deal with the ever-changing relationship between the static objects and the moving objects without any prior models of the moving objects. The effectiveness of the method has been validated by experiments in two representative dynamic environments: the campus road and the urban road.
基金the DN (Direction du Numé-rique) from Universitéde Pau et des Pays de l’Adour,MCIA (Mésocentre de Calcul Intensif Aquitain),GENCI-CINES (Grant 2017-c2016087698) for providing the computation power needed for this projectIsifor-Carnot Institute and Total Refining&Chemicals are also acknowledged for their financial support to this research project
文摘Breaking water-in-oil emulsions during the refining of crude oils is an important step before any upgrading process is started.Asphaltene molecules are incriminated as playing an important role in this phenomenon.Unraveling the mechanisms behind the affinity between them and water is a key step to understand how to break these emulsions more easily and require lower amounts of demulsifiers.Choosing which demulsifier molecule(s)to use is also primordial,but to do so rationally,one needs to know which are the molecular interactions in place between asphaltenes,porphyrins and water so that demulsifiers are chosen to destabilize a specific physical–chemical interaction.In this paper,we study the interactions arising between asphaltenes and porphyrins and six different molecules potentially displaying a demulsification action in the presence of water/oil interfaces.We demonstrate that the ionic demulsifier molecules present an interesting potential to either interact strongly with water,replacing asphaltenes in this interaction,or to interact with the active sites of asphaltenes,deactivating them and avoiding any asphaltenic interfacial activity.Finally,we also found that although asphaltenes do not migrate spontaneously toward the water/oil interfaces,porphyrins do so rather easily.This indicates that porphyrins do have an important activity at the water/oil interface.
基金The authors are grateful for the calculation support of the Key Laboratory of Molecular Oil Refining of the Research Institute of Petroleum Processing in SINOPEC and the financial supports from the Natural Science Foundation of China(NSFCNo.51671100)+2 种基金the State Key Laboratory of Metal Material for Marine Equipment and Application-School of Material and Metallurgy,University of Science and Technology Liaoning Co-project(No.SKLMEA-USTLN 201905)the University of Science and Technology Liaoning Talent Project(No.601010314)the University of Science and Technology Liaoning Young Teachers Fund(No.2019QN08).
文摘The mobility and aggregation behavior of macromolecular lubricant oxidation products and their influences on the performance of base stock were probed by molecular dynamics(MD)simulation.The mean square displacement(MSD)of molecules was calculated to explore the mobility of molecules.The distribution appearance of lubricant oxidation products in models was acquired to explore the aggregation of molecules.The results show that the mobility of macromolecular oxidation products is lower than that of base stock.The MSD of macromolecular oxidation products reduces with an increasing macromolecular weight.Macromolecular oxidation products can also decrease the mobility of base stock.The interaction energy between the macromolecules and the base stock soars with the increase of macromolecular weight.Macromolecules with a larger molecular weight can affect more base stock molecules with stronger restriction,which leads to lower mobility of base stock molecules.There are aggregates formed among macromolecular oxidation products,and the molecules in aggregates are connected by hydrogen bonds.The quantity of hydrogen bonds in aggregates is related to temperature.
基金This work was supported by FLAGSHIP2020,MEXT within Priority Study 5(Development of New Fundamental Technologies for High-Efficiency Energy Creation,Conversion/Storage and Use)Using Computational Resources of the K Computer Provided by the RIKEN Advanced
文摘Surfactant molecules, when dispersed in solution, have been shown to spontaneously form aggregates. Our previous studies on molecular dynamics(MD) calculations have shown that ionic sodium dodecyl sulfate molecules quickly aggregated even when the aggregation number is small. The aggregation rate, however, decreased for larger aggregation numbers. In addition, studies have shown that micelle formation was not completed even after a 100 ns-long MD run(Chem. Phys. Lett. 2016, 646, 36). Herein, we analyze the free energy change of micelle formation based on chemical species model combined with molecular dynamics calculations. First, the free energy landscape of the aggregation, ?G_(i+j)^+, where two aggregates with sizes i and j associate to form the(i + j)-mer, was investigated using the free energy of micelle formation of the i-mer, G_i^+, which was obtained through MD calculations. The calculated ?G_(i+j)^+ was negative for all the aggregations where the sum of DS ions in the two aggregates was 60 or less. From the viewpoint of chemical equilibrium, aggregation to the stable micelle is desired. Further, the free energy profile along possible aggregation pathways was investigated, starting from small aggregates and ending with the complete thermodynamically stable micelles in solution. The free energy profiles, G(l, k), of the aggregates at l-th aggregation path and k-th state were evaluated by the formation free energy ∑_in_i( l,k)G_i^+ and the free energy of mixing ∑_in_i( l,k)k_BTln( n_i( l,k)/n( l,k)), where ni(l, k) is the number of i-mer in the system at the l-th i aggregation path and k-th state, with n(l,k)= ∑_n_i( l,k). All the aggregation pathways were obtained from the initial i state of 12 pentamers to the stable micelle with i = 60. All the calculated G(l, k) values monotonically decreased with increasing k. This indicates that there are no free energy barriers along the pathways. Hence, the slowdown is not due to the thermodynamic stability of the aggregates, but rather the kinetics that inhibit the association of the fragments. The time required for a collision between aggregates, one of the kinetic factors, was evaluated using the fast passage time, t_(FPT). The calculated t_(FPT) was about 20 ns for the aggregates with N = 31. Therefore, if aggregation is a diffusion-controlled process, it should be completed within the 100 ns-simulation. However, aggregation does not occur due to the free energy barrier between the aggregates, that is, the repulsive force acting on them. This may be caused by electrostatic repulsions produced by the overlap of the electric double layers, which are formed by the negative charge of the hydrophilic groups and counter sodium ions on the surface of the aggregates.
基金Project supported by the Natural Science Foundation for Young Scientists of Zhejiang Province, China （Grant No RC02069） and Zhejiang Provincial Natural Science Foundation of China （Grant No 101032）.
文摘A comprehensive simulation model--deposition, diffusion, rotation and aggregation--is presented to demonstrate the post-deposition phenomena of multiple cluster growth on liquid surfaces, such as post-deposition nucleation, post- deposition growth and post-deposition coalescence. Emphasis is placed on the relaxations of monomer density, dimer density and cluster density as well as combined cluster-plus-monomer density with time after deposition ending. It is shown that post-deposition coalescence largely takes place after deposition due to the large mobility of clusters on liquid surfaces, while the post-deposition nucleation is only possible before the saturation cluster density is reached at the end of the deposition. The deposition flux and the moment of deposition ending play important roles in the post-deposition dynamics.
基金Project supported by the Natural Science Foundation of Fujian Province of China(Grant No.2012J05008)
文摘We present the results of molecular dynamics simulations of net positively charged fullerene nanoparticles in salt- free and salt-added solution. The aggregation of fullerene （C60）-like nanoparticle and counterion are studied in detail as a function of temperatures and a finite salt concentration. Our simulations show that the strong conformation changes as temperature changes. The net positively-charged nanoparticles do not repel each other but are condensed under proper temperatures. If salts are added, the aggregated nanoparticles will be disaggregated due to the Debye screening effect.
基金Projects(6512009004A,51908119,U1706222)supported by the National Natural Science Foundation of ChinaProject(BK20190367)supported by the Natural Science Foundation of Jiangsu Province,China。
文摘The interface properties between hydrated cement paste(hcp)and aggregates largely determine the various performances of concrete.In this work,molecular dynamics simulations were employed to explore the atomistic interaction mechanisms between the commonly used aggregate phase calcite/silica and calcium silicate hydrates(C-S-H),as well as the effect of moisture.The results suggest that the C-S-H/calcite interface is relatively strong and stable under both dry and moist conditions,which is caused by the high-strength interfacial connections formed between calcium ions from calcite and high-polarity non-bridging oxygen atoms from the C-S-H surface.Silica can be also adsorbed on the dry C-S-H surface by the H-bonds;however,the presence of water molecules on the interface may substantially decrease the affinities.Furthermore,the dynamics interface separation tests of C-S-H/aggregates were also implemented by molecular dynamics.The shape of the calculated stress-separation distance curves obeys the quasi-static cohesive law obtained experimentally.The moisture conditions and strain rates were found to affect the separation process of C-S-H/silica.A wetter interface and smaller loading rate may lead to a lower adhesion strength.The mechanisms interpreted here may shed new lights on the understandings of hcp/aggregate interactions at a nano-length scale and creation of high performance cementitious materials.
文摘To broaden the frequency width and increase the damping coefficient of a dynamic pressure damper, we designed an aggregative dynamic pressure damper (ADPD). Combined with the advantages of traditional dynamic pressure dampers (TDPD), ADPD can not only increase the damping coefficient in wide frequency range for valve control system, but also absorb partial pressure pulsations and impacts in the low and high frequency fields. Based on the theoretical research and the analysis compared with TDPD, we concluded that the ADPD was superior to the TDPD in the middle high frequency field, and the main parameters influencing the performance of the damper were the damping stiffness, orifice flow coefficient, pre-charge pressure, and the volume of the damper accumulator.
基金supported by the National Key Basic Research and Development Program of China(No. 2018YFC1504302)the National Natural Science Foundation of China(Nos. 51822801,51421005).
文摘This study is to explore the influence of maximum aggregate size(MAS)on the failure and corresponding size effect of concrete materials under low strain rates.The failure process of concrete was simulated by the mesoscale numerical method considering the internal heterogeneity of concrete and strain rate effect.Based on the mesoscale method,the failure behavior of concrete specimens with different structural sizes and MAS was investigated.Also,the influence of MAS on the failure modes,nominal strength and corresponding size effect of concrete were studied at the meso-scale.The simulation results indicated that MAS has an obvious influence on the failure modes of concrete subjected to axial compressive and tensile loads.The nominal tensile strength increased as the MAS increased,while the nominal compressive strength increased first and then decreased as the MAS increases under quasi-static load.In addition,it was found that the size effect on nominal strength of concrete would be weakened with the increase of strain rate.When the applied strain rate reached 1 s^-1,the size effect on nominal strength of concrete disappeard.Moreover,the MAS has an ignorable influence on the dynamic size effect of concrete under uniaxial compression and tension.
基金National Natural Science Foundation of China(62325304).
文摘This paper presents a comprehensive overview of distributed Nash equilibrium(NE)seeking algorithms in non-cooperative games for multiagent systems(MASs),with a distinct emphasis on the dynamic control perspective.It specifically focuses on the research addressing distributed NE seeking problems in which agents are governed by heterogeneous dynamics.The paper begins by introducing fundamental concepts of general non-cooperative games and the NE,along with definitions of specific game structures such as aggregative games and multi-cluster games.It then systematically reviews existing studies on distributed NE seeking for various classes of MASs from the viewpoint of agent dynamics,including first-order,second-order,high-order,linear,and Euler-Lagrange(EL)systems.Furthermore,the paper highlights practical applications of these theoretical advances in cooperative control scenarios involving autonomous systems with complex dynamics,such as autonomous surface vessels,autonomous aerial vehicles,and other autonomous vehicles.Finally,the paper outlines several promising directions for future research.
基金supported by the National Natural Science Foundation of China under Grant Nos.62076117 and 62166026the Jiangxi Provincial Key Laboratory of Virtual Reality under Grant No.2024SSY03151.
文摘Dynamic sign language recognition holds significant importance, particularly with the application of deep learning to address its complexity. However, existing methods face several challenges. Firstly, recognizing dynamic sign language requires identifying keyframes that best represent the signs, and missing these keyframes reduces accuracy. Secondly, some methods do not focus enough on hand regions, which are small within the overall frame, leading to information loss. To address these challenges, we propose a novel Video Transformer Attention-based Network (VTAN) for dynamic sign language recognition. Our approach prioritizes informative frames and hand regions effectively. To tackle the first issue, we designed a keyframe extraction module enhanced by a convolutional autoencoder, which focuses on selecting information-rich frames and eliminating redundant ones from the video sequences. For the second issue, we developed a soft attention-based transformer module that emphasizes extracting features from hand regions, ensuring that the network pays more attention to hand information within sequences. This dual-focus approach improves effective dynamic sign language recognition by addressing the key challenges of identifying critical frames and emphasizing hand regions. Experimental results on two public benchmark datasets demonstrate the effectiveness of our network, outperforming most of the typical methods in sign language recognition tasks.
文摘We construct recurrence plots(RPs)and conduct recurrence quantification analysis(RQA)to investigate the dynamic properties of the new Center for Financial Stability(CFS)Divisia monetary aggregates for the United States.In this study,we use the lat-est vintage of Divisia aggregates,maintained within CFS.We use monthly data,from January 1967 to December 2020,which is a sample period that includes the extreme economic events of the 2007–2009 global financial crisis.We then make comparisons between narrow and broad Divisia money measures and find evidence of a nonlinear but reserved possible chaotic explanation of their origin.The application of RPs to broad Divisia monetary aggregates encompasses an additional drift structure around the global financial crisis in 2008.Applying the moving window RQA to the growth rates of narrow and broad Divisia monetary aggregates,we identify periods of changes in data-generating processes and associate such changes to monetary policy regimes and financial innovations that occurred during those times.
基金supported in part by the National Key Research and Development Program of Chinaunder(Grant 2021YFB3101100)in part by the National Natural Science Foundation of Chinaunder(Grant 42461057),(Grant 62272123),and(Grant 42371470)+1 种基金in part by the Fundamental Research Program of Shanxi Province under(Grant 202303021212164)in part by the Postgraduate Education Innovation Program of Shanxi Province under(Grant 2024KY474).
文摘Recently,large-scale deep learning models have been increasingly adopted for point cloud classification.However,thesemethods typically require collecting extensive datasets frommultiple clients,which may lead to privacy leaks.Federated learning provides an effective solution to data leakage by eliminating the need for data transmission,relying instead on the exchange of model parameters.However,the uneven distribution of client data can still affect the model’s ability to generalize effectively.To address these challenges,we propose a new framework for point cloud classification called Federated Dynamic Aggregation Selection Strategy-based Multi-Receptive Field Fusion Classification Framework(FDASS-MRFCF).Specifically,we tackle these challenges with two key innovations:(1)During the client local training phase,we propose a Multi-Receptive Field Fusion Classification Model(MRFCM),which captures local and global structures in point cloud data through dynamic convolution and multi-scale feature fusion,enhancing the robustness of point cloud classification.(2)In the server aggregation phase,we introduce a Federated Dynamic Aggregation Selection Strategy(FDASS),which employs a hybrid strategy to average client model parameters,skip aggregation,or reallocate local models to different clients,thereby balancing global consistency and local diversity.We evaluate our framework using the ModelNet40 and ShapeNetPart benchmarks,demonstrating its effectiveness.The proposed method is expected to significantly advance the field of point cloud classification in a secure environment.
基金This work was supported by the National Science Fund for Distinguished Young Scholars of China (No.50125312) andSpecial Funds for Major State Basic Research Projects (No.G1999064800).
文摘Dynamic rheological characteristics of polypropylene (PP) filled with ultra-fine full-vulcanized powdered rubber (UFPR) composed of styrene-butadiene copolymer were studied through dynamic rheological measurements on an Advanced Rheometric Expansion System (ARES). A specific viscoelastic phenomenon, i.e. 'the second plateau', appeared at low frequencies, and exhibits a certain dependence on the amount of rubber particles and the dispersion state in the matrix. This phenomenon is attributed to the formation of aggregation structure of rubber particles. The analyses of Cole-Cole diagrams of the dynamic viscoelastic functions suggest that the heterogeneity of the composites is enhanced on increasing both particle content and temperature.
文摘In this paper we discuss policy iteration methods for approximate solution of a finite-state discounted Markov decision problem, with a focus on feature-based aggregation methods and their connection with deep reinforcement learning schemes. We introduce features of the states of the original problem, and we formulate a smaller "aggregate" Markov decision problem, whose states relate to the features. We discuss properties and possible implementations of this type of aggregation, including a new approach to approximate policy iteration. In this approach the policy improvement operation combines feature-based aggregation with feature construction using deep neural networks or other calculations. We argue that the cost function of a policy may be approximated much more accurately by the nonlinear function of the features provided by aggregation, than by the linear function of the features provided by neural networkbased reinforcement learning, thereby potentially leading to more effective policy improvement.
基金the National Natural Science Foundation of China(Nos.41501241 and 41530855)the Natural Science Foundation of Chongqing,China(No.cstc2015jcyj A00036)the Fundamental Research Funds for the Central Universities of China(No.XDJK2017D199)for supporting this research
文摘Specific ion effects(Hofmeister effects)have recently attracted the attention of soil scientists,and it has been found that ionic non-classic polarization plays an important role in the specific ion effect in soil.However,this explanation cannot be applied to H+.The aim of this work was to characterize the specific ion effect of H+on variably charged soil(yellow soil)colloid aggregation.The total average aggregation(TAA)rate,critical coagulation concentration(CCC),activation energy,and zeta potential were used to characterize and compare the specific ion effects of H+,K+,and Na+.Results showed that strong specific ion effects of H+,K+,and Na+existed in variably charged soil colloid aggregation.The TAA rate,CCC,and activation energy were sensitive to H+,and the addition of a small amount of H+changed the TAA rate,CCC,and activation energy markedly.The zeta potential results indicated that the specific ion effects of H+,K+,and Na+on soil colloid aggregation were caused by the specific ion effects of H+,K+,and Na+on the soil electric field strength.In addition,the origin of the specific ion effect for H+was its chemical adsorption onto surfaces,while those for alkali cations were non-classic polarization.This study indicated that H+,which occurs naturally in variably charged soils,will dominate variably charged soil colloid aggregation.
基金supported by the National Natural Science Foundation of China(No.60605023,60775048)Specialized Research Fund for the Doctoral Program of Higher Education(No.20060141006)
文摘An adaptive weighted stereo matching algorithm with multilevel and bidirectional dynamic programming based on ground control points (GCPs) is presented. To decrease time complexity without losing matching precision, using a multilevel search scheme, the coarse matching is processed in typical disparity space image, while the fine matching is processed in disparity-offset space image. In the upper level, GCPs are obtained by enhanced volumetric iterative algorithm enforcing the mutual constraint and the threshold constraint. Under the supervision of the highly reliable GCPs, bidirectional dynamic programming framework is employed to solve the inconsistency in the optimization path. In the lower level, to reduce running time, disparity-offset space is proposed to efficiently achieve the dense disparity image. In addition, an adaptive dual support-weight strategy is presented to aggregate matching cost, which considers photometric and geometric information. Further, post-processing algorithm can ameliorate disparity results in areas with depth discontinuities and related by occlusions using dual threshold algorithm, where missing stereo information is substituted from surrounding regions. To demonstrate the effectiveness of the algorithm, we present the two groups of experimental results for four widely used standard stereo data sets, including discussion on performance and comparison with other methods, which show that the algorithm has not only a fast speed, but also significantly improves the efficiency of holistic optimization.
