Vinyl acetate （VA） synthesis on Pd/Au（111） and Pd/Au（100） surfaces has been systematically investigated through first-principles density functional theory （DFT） calculations. The DFr results showed that for VA...Vinyl acetate （VA） synthesis on Pd/Au（111） and Pd/Au（100） surfaces has been systematically investigated through first-principles density functional theory （DFT） calculations. The DFr results showed that for VA synthesis, the ＇Samanos＇ reaction mechanism （i.e., direct coupling of coadsorbed ethylene and acetate species and subsequent/%hydride elimination to form VA） is more favorable than the ＇Moiseev＇ mechanism （i.e., ethylene first dehydrogenates to form vinyl species which then couple with the coadsorbed acetate species to form VA）. More importantly, it was found the surface coverage of acetate has a significant effect on the reactivity of VA synthesis, and the activation energy of the rate- controlling step on Pd/Au（100） surface is smaller than that on Pd/Au（111） surface （0.88 vs. 0.95 eV）, indicating the former is more active than the latter.展开更多
In recent years,frequent fire disasters have led to enormous damage in China.Effective firefighting rescues can minimize the losses caused by fires.During the rescue processes,the travel time of fire trucks can be sev...In recent years,frequent fire disasters have led to enormous damage in China.Effective firefighting rescues can minimize the losses caused by fires.During the rescue processes,the travel time of fire trucks can be severely affected by traffic conditions,changing the effective coverage of fire stations.However,it is still challenging to determine the effective coverage of fire stations considering dynamic traffic conditions.This paper addresses this issue by combining the traveling time calculationmodelwith the effective coverage simulationmodel.In addition,it proposes a new index of total effective coverage area(TECA)based on the time-weighted average of the effective coverage area(ECA)to evaluate the urban fire services.It also selects China as the case study to validate the feasibility of the models,a fire station(FS-JX)in Changsha.FS-JX station and its surrounding 9,117 fire risk points are selected as the fire service supply and demand points,respectively.A total of 196 simulation scenarios throughout a consecutiveweek are analyzed.Eventually,1,933,815 sets of valid sample data are obtained.The results showed that the TECA of FS-JX is 3.27 km^(2),which is far below the standard requirement of 7.00 km^(2) due to the traffic conditions.The visualization results showed that three rivers around FS-JX interrupt the continuity of its effective coverage.The proposed method can provide data support to optimize the locations of fire stations by accurately and dynamically determining the effective coverage of fire stations.展开更多
Small cluster and periodic surface models with low coverages of intermediates are frequently employed to investigate reaction mechanisms and identify active sites on nanoparticles(NPs)in density functional theory(DFT)...Small cluster and periodic surface models with low coverages of intermediates are frequently employed to investigate reaction mechanisms and identify active sites on nanoparticles(NPs)in density functional theory(DFT)studies.However,diverse active sites on NPs cannot be sufficiently represented by these simple models,hampering the in-depth insights into the catalytic behavior of NPs.This paper describes the crucial roles of both model and coverage effect on understanding the nature of active sites for CO_(2)reduction over Au and Pd NPs using DFT calculations.Terrace sites exhibit higher selectivity for CO than edge sites on Au NPs,which is opposite to the results on Au periodic surfaces.This contradiction reveals the computational model effect on clarifying active site properties.For Pd catalysts,the coverage effect is more significant.On bare Pd NPs and periodic surfaces,the selectivity for CO at edge sites is nearly identical to that at terrace sites,whereas edge sites display higher selectivity for CO than terrace sites in the case of high CO coverages.Through considering the more realistic models and the coverage effect,we successfully describe the size effect of Au and Pd NPs on CO selectivity.More importantly,this work reminds us of the necessity of reasonable models in DFT calculations.展开更多
The wireless signals emitted by base stations serve as a vital link connecting people in today’s society and have been occupying an increasingly important role in real life.The development of the Internet of Things(I...The wireless signals emitted by base stations serve as a vital link connecting people in today’s society and have been occupying an increasingly important role in real life.The development of the Internet of Things(IoT)relies on the support of base stations,which provide a solid foundation for achieving a more intelligent way of living.In a specific area,achieving higher signal coverage with fewer base stations has become an urgent problem.Therefore,this article focuses on the effective coverage area of base station signals and proposes a novel Evolutionary Particle Swarm Optimization(EPSO)algorithm based on collective prediction,referred to herein as ECPPSO.Introducing a new strategy called neighbor-based evolution prediction(NEP)addresses the issue of premature convergence often encountered by PSO.ECPPSO also employs a strengthening evolution(SE)strategy to enhance the algorithm’s global search capability and efficiency,ensuring enhanced robustness and a faster convergence speed when solving complex optimization problems.To better adapt to the actual communication needs of base stations,this article conducts simulation experiments by changing the number of base stations.The experimental results demonstrate thatunder the conditionof 50 ormore base stations,ECPPSOconsistently achieves the best coverage rate exceeding 95%,peaking at 99.4400%when the number of base stations reaches 80.These results validate the optimization capability of the ECPPSO algorithm,proving its feasibility and effectiveness.Further ablative experiments and comparisons with other algorithms highlight the advantages of ECPPSO.展开更多
A cooperative region reconnaissance problem is considered in this paper where a group of agents are required to reconnoitre a region of interest. Amain challenge of this problem is the sensing region of each agent var...A cooperative region reconnaissance problem is considered in this paper where a group of agents are required to reconnoitre a region of interest. Amain challenge of this problem is the sensing region of each agent varies with its altitude within an altitude constraint. Meanwhile, the reconnaissance ability of an agent is determined by its altitude and radial distance. First, the region reconnaissance is formulated as an effective coverage problem, which means that each point in the given region should be surveyed until a preset level is achieved. Then, an effective coverage control law is proposed to minimize coverage performance index by adjusting the altitude of an agent. Finally, the effectiveness of the proposed control law is verified through numerical simulations.展开更多
Green and low carbon transition is a broad and profound economic and social systematic change.Green innovation is a critical way to promote energy saving and emission reduction.Has China continuously promoted a carbon...Green and low carbon transition is a broad and profound economic and social systematic change.Green innovation is a critical way to promote energy saving and emission reduction.Has China continuously promoted a carbon emission trading policy to significantly promote green innovation cooperation?Taking the implementation of the carbon emission trading pilot policy as a“quasi-natural experiment,”this study answers this question by exploring the impact of the policy on green innovation cooperation.Based on data on 274 cities from 2008 to 2020,the multi-time difference-in-differences model is used to evaluate the impact of the policy on green innovation cooperation.The results reveal that the carbon emission trading pilot policy significantly improved inter-and intra-city green innovation cooperation through the upgrading effect of industrial structure and the coverage effect of digital finance compared with the non-pilot cities at the city level.In addition,there are significant differences in the policy effects among cities with different degrees of openness to the outside world and command-and-control environmental regulation.展开更多
基金supported by the State Key Program of Natural Science of Tianjin (Grant No. 13JCZDJC26800)the foundation of State Key Laboratory of Coal Conversion (Grant No. J13-14-908)
文摘Vinyl acetate （VA） synthesis on Pd/Au（111） and Pd/Au（100） surfaces has been systematically investigated through first-principles density functional theory （DFT） calculations. The DFr results showed that for VA synthesis, the ＇Samanos＇ reaction mechanism （i.e., direct coupling of coadsorbed ethylene and acetate species and subsequent/%hydride elimination to form VA） is more favorable than the ＇Moiseev＇ mechanism （i.e., ethylene first dehydrogenates to form vinyl species which then couple with the coadsorbed acetate species to form VA）. More importantly, it was found the surface coverage of acetate has a significant effect on the reactivity of VA synthesis, and the activation energy of the rate- controlling step on Pd/Au（100） surface is smaller than that on Pd/Au（111） surface （0.88 vs. 0.95 eV）, indicating the former is more active than the latter.
基金support from the National Natural Science Foundation of China (No.52204202)the Hunan Provincial Natural Science Foundation of China (No.2023JJ40058)the Science and Technology Program of Hunan Provincial Departent of Transportation (No.202122).
文摘In recent years,frequent fire disasters have led to enormous damage in China.Effective firefighting rescues can minimize the losses caused by fires.During the rescue processes,the travel time of fire trucks can be severely affected by traffic conditions,changing the effective coverage of fire stations.However,it is still challenging to determine the effective coverage of fire stations considering dynamic traffic conditions.This paper addresses this issue by combining the traveling time calculationmodelwith the effective coverage simulationmodel.In addition,it proposes a new index of total effective coverage area(TECA)based on the time-weighted average of the effective coverage area(ECA)to evaluate the urban fire services.It also selects China as the case study to validate the feasibility of the models,a fire station(FS-JX)in Changsha.FS-JX station and its surrounding 9,117 fire risk points are selected as the fire service supply and demand points,respectively.A total of 196 simulation scenarios throughout a consecutiveweek are analyzed.Eventually,1,933,815 sets of valid sample data are obtained.The results showed that the TECA of FS-JX is 3.27 km^(2),which is far below the standard requirement of 7.00 km^(2) due to the traffic conditions.The visualization results showed that three rivers around FS-JX interrupt the continuity of its effective coverage.The proposed method can provide data support to optimize the locations of fire stations by accurately and dynamically determining the effective coverage of fire stations.
文摘Small cluster and periodic surface models with low coverages of intermediates are frequently employed to investigate reaction mechanisms and identify active sites on nanoparticles(NPs)in density functional theory(DFT)studies.However,diverse active sites on NPs cannot be sufficiently represented by these simple models,hampering the in-depth insights into the catalytic behavior of NPs.This paper describes the crucial roles of both model and coverage effect on understanding the nature of active sites for CO_(2)reduction over Au and Pd NPs using DFT calculations.Terrace sites exhibit higher selectivity for CO than edge sites on Au NPs,which is opposite to the results on Au periodic surfaces.This contradiction reveals the computational model effect on clarifying active site properties.For Pd catalysts,the coverage effect is more significant.On bare Pd NPs and periodic surfaces,the selectivity for CO at edge sites is nearly identical to that at terrace sites,whereas edge sites display higher selectivity for CO than terrace sites in the case of high CO coverages.Through considering the more realistic models and the coverage effect,we successfully describe the size effect of Au and Pd NPs on CO selectivity.More importantly,this work reminds us of the necessity of reasonable models in DFT calculations.
基金supported by the National Natural Science Foundation of China(Nos.62272418,62102058)Basic Public Welfare Research Program of Zhejiang Province(No.LGG18E050011)the Major Open Project of Key Laboratory for Advanced Design and Intelligent Computing of the Ministry of Education under Grant ADIC2023ZD001,National Undergraduate Training Program on Innovation and Entrepreneurship(No.202410345054).
文摘The wireless signals emitted by base stations serve as a vital link connecting people in today’s society and have been occupying an increasingly important role in real life.The development of the Internet of Things(IoT)relies on the support of base stations,which provide a solid foundation for achieving a more intelligent way of living.In a specific area,achieving higher signal coverage with fewer base stations has become an urgent problem.Therefore,this article focuses on the effective coverage area of base station signals and proposes a novel Evolutionary Particle Swarm Optimization(EPSO)algorithm based on collective prediction,referred to herein as ECPPSO.Introducing a new strategy called neighbor-based evolution prediction(NEP)addresses the issue of premature convergence often encountered by PSO.ECPPSO also employs a strengthening evolution(SE)strategy to enhance the algorithm’s global search capability and efficiency,ensuring enhanced robustness and a faster convergence speed when solving complex optimization problems.To better adapt to the actual communication needs of base stations,this article conducts simulation experiments by changing the number of base stations.The experimental results demonstrate thatunder the conditionof 50 ormore base stations,ECPPSOconsistently achieves the best coverage rate exceeding 95%,peaking at 99.4400%when the number of base stations reaches 80.These results validate the optimization capability of the ECPPSO algorithm,proving its feasibility and effectiveness.Further ablative experiments and comparisons with other algorithms highlight the advantages of ECPPSO.
基金This research work was partially supported by the National Natural Science Foundation of China （Nos. 61473099, 61333001 ）.
文摘A cooperative region reconnaissance problem is considered in this paper where a group of agents are required to reconnoitre a region of interest. Amain challenge of this problem is the sensing region of each agent varies with its altitude within an altitude constraint. Meanwhile, the reconnaissance ability of an agent is determined by its altitude and radial distance. First, the region reconnaissance is formulated as an effective coverage problem, which means that each point in the given region should be surveyed until a preset level is achieved. Then, an effective coverage control law is proposed to minimize coverage performance index by adjusting the altitude of an agent. Finally, the effectiveness of the proposed control law is verified through numerical simulations.
基金supported by the National Natural Science Foundation of China under Grant Nos.72174107,22&ZD094,71701191the Soft Science Research Project of China National Intellectual Property Administration under Grant Nos.SS22-B-15University of science and technology of China(USTC)introduces talents for scientific research and starts special fund project under Grant Nos.KY2160000003.
文摘Green and low carbon transition is a broad and profound economic and social systematic change.Green innovation is a critical way to promote energy saving and emission reduction.Has China continuously promoted a carbon emission trading policy to significantly promote green innovation cooperation?Taking the implementation of the carbon emission trading pilot policy as a“quasi-natural experiment,”this study answers this question by exploring the impact of the policy on green innovation cooperation.Based on data on 274 cities from 2008 to 2020,the multi-time difference-in-differences model is used to evaluate the impact of the policy on green innovation cooperation.The results reveal that the carbon emission trading pilot policy significantly improved inter-and intra-city green innovation cooperation through the upgrading effect of industrial structure and the coverage effect of digital finance compared with the non-pilot cities at the city level.In addition,there are significant differences in the policy effects among cities with different degrees of openness to the outside world and command-and-control environmental regulation.
