Based on spin-unrestricted hartree fock theory, we present the spin unrestricted multi- configuration time dependent hartree lock theory （UMCTDHF） to describe the electron correlation dynamics of systems interacting...Based on spin-unrestricted hartree fock theory, we present the spin unrestricted multi- configuration time dependent hartree lock theory （UMCTDHF） to describe the electron correlation dynamics of systems interacting with laser field. The positive spin orbitals and the negative spin orbitals are propagated in their own subspace respectively. The spin orbital in the spin-down subspace acts with that in the spin-up subspace by the reduced density matrix and mean field operator. The ground energy is acquired by propagating the trial wave function in the imaginary time by using spin-restricted MCTDHF （RMCTDHF） and UMCTDHF respectively. Then the ionization probabilities and the electrons energies are calculated by using RMCTDHF and UMCTDHF when the laser field is present. The ionization probability calculated with UMCTDHF agrees with the previous theoretical reports very well. The UMCTDHF method is accurate and applicable for open shell system beyond the capability of the RMCTDHF method.展开更多
Using VAR-DCC-GARCH model,the literature on commodity price was extended by exploring the co-movement between Chinese nonferrous metal prices and global nonferrous metal prices represented by the nonferrous metal pric...Using VAR-DCC-GARCH model,the literature on commodity price was extended by exploring the co-movement between Chinese nonferrous metal prices and global nonferrous metal prices represented by the nonferrous metal prices from London Metal Exchange(LME).The results show that LME nonferrous metals prices still have a greater impact on Chinese nonferrous metals prices.However,the impact of Chinese nonferrous metals prices on LME nonferrous metals prices is still weak except for lead price.The co-movement of nonferrous metal prices between LME and China presents hysteretic nature,and it lasts for 7-8trading days.Furthermore,the co-movement between LME nonferrous metals prices and Chinese nonferrous metals prices has the characteristics of time-varying,and the correlation of lead prices between LME and China is the more stable than all other nonferrous metals prices.展开更多
Panzhihua city （26°O5＇-27°21＇N, 101°OS＇- 102°15＇E）, located in a mountainous area, is one of the large cities in Sichuan province, China. A landslide occurred in the filling body of the easte...Panzhihua city （26°O5＇-27°21＇N, 101°OS＇- 102°15＇E）, located in a mountainous area, is one of the large cities in Sichuan province, China. A landslide occurred in the filling body of the eastern part of the Panzhihua airport on October 3, 2009 （hereafter called the lo.3 landslide）. We conducted field survey on the landslide and adopted emergency monitoring and warning models based on the Internet of Things （loT） to estimate the losses from the disaster and to prevent a secondary disaster from occurring. The results showed that four major features of the airport site had contributed to the landslide, i.e, high altitude, huge amount of filling rocks, deep backfilling and great difficulty of backfilling. The deformation process of the landslide had six stages and the unstable geological structure of high fillings and an earthquake were the main causes of the landslide. We adopted relative displacement sensing technology and Global System for Mobile Communications （GSM） technology to achieve remote, real-time and unattended monitoring of ground cracks in the landslide. The monitoring system, including five extensometers with measuring ranges of 200, 450 and 7oo mm, was continuously working for 17 months and released 7 warning signals with an average warning time of about 26 hours. At 10 am on 6 December 2009, the system issued a warning and on-site workers were evacuated and equipment protected immediately. At 2：20 medium-scale collapse monitoring site, which proved the reliability pm on 7 December, a occurred at the No. 5 justified the alarm and and efficiency of the monitoring system.展开更多
In order to solve the problem that the drivers can't find the optimal parking lot timely,a reservation based optimal parking lot recommendation model in Internet of Vehicle(IoV) environment is designed.Based on th...In order to solve the problem that the drivers can't find the optimal parking lot timely,a reservation based optimal parking lot recommendation model in Internet of Vehicle(IoV) environment is designed.Based on the users oriented parking information recommendation system,the model considers subjective demands of drivers comprehensively,makes a deeply analysis of the evaluation indicators.This recommendation model uses a phased selection method to calculate the optimal objective parking lot.The first stage is screening which based on the users' subjective parking demands;the second stage is processing the candidate parking lots through multiple attribute decision making.Simulation experiments show that this model can effectively solve the problems encountered in the process of finding optimal parking lot,save the driver's parking time and parking costs and also improve the overall utilization of parking facilities to ease the traffic congestion caused by vehicles parked patrol.展开更多
Cu-based catalysts are the most promising candidates for electrochemical CO_(2)reduction(CO_(2)RR)to multi-carbon(C_(2))products.Optimizing the C-C coupling process,the rate-determining step for C_(2)product generatio...Cu-based catalysts are the most promising candidates for electrochemical CO_(2)reduction(CO_(2)RR)to multi-carbon(C_(2))products.Optimizing the C-C coupling process,the rate-determining step for C_(2)product generation,is an important strategy to improve the production and selectivity of the C_(2)products.In this study,we determined that the local electric field can promote the C-C coupling reaction and enhance CO_(2)electroreduction to C_(2)products.First,finite-element simulations indicated that the high curvature of the Cu nanoneedles results in a large local electric field on their tips.Density functional theory(DFT)calculations proved that a large electric field can promote C-C coupling.Motivated by this prediction,we prepared a series of Cu catalysts with different curvatures.The Cu nanoneedles(NNs)exhibited the largest number of curvatures,followed by the Cu nanorods(NRs),and Cu nanoparticles(NPs).The Cu NNs contained the highest concentration of adsorbed K+,which resulted in the highest local electric field on the needles.CO adsorption sensor tests indicated that the Cu NNs exhibited the strongest CO adsorption ability,and in-situ Fourier-transform infrared spectroscopy(FTIR)showed the strongest*COCO and*CO signals for the Cu NNs.These experimental results demonstrate that high-curvature nanoneedles can induce a large local electric field,thus promoting C-C coupling.As a result,the Cu NNs show a maximum FEC_(2)of 44%for CO_(2)RR at a low potential(-0.6 V vs.RHE),which is approximately 2.2 times that of the Cu NPs.This work provides an effective strategy for enhancing the production of multi-carbon products during CO_(2)RR.展开更多
文摘Based on spin-unrestricted hartree fock theory, we present the spin unrestricted multi- configuration time dependent hartree lock theory （UMCTDHF） to describe the electron correlation dynamics of systems interacting with laser field. The positive spin orbitals and the negative spin orbitals are propagated in their own subspace respectively. The spin orbital in the spin-down subspace acts with that in the spin-up subspace by the reduced density matrix and mean field operator. The ground energy is acquired by propagating the trial wave function in the imaginary time by using spin-restricted MCTDHF （RMCTDHF） and UMCTDHF respectively. Then the ionization probabilities and the electrons energies are calculated by using RMCTDHF and UMCTDHF when the laser field is present. The ionization probability calculated with UMCTDHF agrees with the previous theoretical reports very well. The UMCTDHF method is accurate and applicable for open shell system beyond the capability of the RMCTDHF method.
基金Project(71073177)supported by the National Natural Science Foundation of ChinaProject(12JJ4077)supported by the Natural Science Foundation of Hunan Province of ChinaProject(2012zzts002)supported by the Fundamental Research Funds of Central South University,China
文摘Using VAR-DCC-GARCH model,the literature on commodity price was extended by exploring the co-movement between Chinese nonferrous metal prices and global nonferrous metal prices represented by the nonferrous metal prices from London Metal Exchange(LME).The results show that LME nonferrous metals prices still have a greater impact on Chinese nonferrous metals prices.However,the impact of Chinese nonferrous metals prices on LME nonferrous metals prices is still weak except for lead price.The co-movement of nonferrous metal prices between LME and China presents hysteretic nature,and it lasts for 7-8trading days.Furthermore,the co-movement between LME nonferrous metals prices and Chinese nonferrous metals prices has the characteristics of time-varying,and the correlation of lead prices between LME and China is the more stable than all other nonferrous metals prices.
基金supported by the National Science Fund for Distinguished Young Scholars of China (Grant No. 40125015)a Research Project of the State Key Laboratory of Geohazard Prevention and Geoenvironment Protection (Grant No. SKLGP2010Z002)+1 种基金the Science and Technique Plans for Sichuan Province, China (Grant No. 2011SZ0182 and NO. 2013SZ0168)the Fundamental Science on Nuclear Waste and Environmental Security Laboratory (Grant No. 12zxnp04)
文摘Panzhihua city （26°O5＇-27°21＇N, 101°OS＇- 102°15＇E）, located in a mountainous area, is one of the large cities in Sichuan province, China. A landslide occurred in the filling body of the eastern part of the Panzhihua airport on October 3, 2009 （hereafter called the lo.3 landslide）. We conducted field survey on the landslide and adopted emergency monitoring and warning models based on the Internet of Things （loT） to estimate the losses from the disaster and to prevent a secondary disaster from occurring. The results showed that four major features of the airport site had contributed to the landslide, i.e, high altitude, huge amount of filling rocks, deep backfilling and great difficulty of backfilling. The deformation process of the landslide had six stages and the unstable geological structure of high fillings and an earthquake were the main causes of the landslide. We adopted relative displacement sensing technology and Global System for Mobile Communications （GSM） technology to achieve remote, real-time and unattended monitoring of ground cracks in the landslide. The monitoring system, including five extensometers with measuring ranges of 200, 450 and 7oo mm, was continuously working for 17 months and released 7 warning signals with an average warning time of about 26 hours. At 10 am on 6 December 2009, the system issued a warning and on-site workers were evacuated and equipment protected immediately. At 2：20 medium-scale collapse monitoring site, which proved the reliability pm on 7 December, a occurred at the No. 5 justified the alarm and and efficiency of the monitoring system.
基金partially supported by the National Natural Science Foundation of China under Grants No.60903176the Provincial Natural Science Foundation of Shandong under Grants No.ZR2012FM010,No.ZR2010FQ028+1 种基金the Program for Youth science and technology starfund of Jinan No.TNK1108the Sub-Project of the National Key Technology R&D Program No.2012BAF12B07-3
文摘In order to solve the problem that the drivers can't find the optimal parking lot timely,a reservation based optimal parking lot recommendation model in Internet of Vehicle(IoV) environment is designed.Based on the users oriented parking information recommendation system,the model considers subjective demands of drivers comprehensively,makes a deeply analysis of the evaluation indicators.This recommendation model uses a phased selection method to calculate the optimal objective parking lot.The first stage is screening which based on the users' subjective parking demands;the second stage is processing the candidate parking lots through multiple attribute decision making.Simulation experiments show that this model can effectively solve the problems encountered in the process of finding optimal parking lot,save the driver's parking time and parking costs and also improve the overall utilization of parking facilities to ease the traffic congestion caused by vehicles parked patrol.
文摘Cu-based catalysts are the most promising candidates for electrochemical CO_(2)reduction(CO_(2)RR)to multi-carbon(C_(2))products.Optimizing the C-C coupling process,the rate-determining step for C_(2)product generation,is an important strategy to improve the production and selectivity of the C_(2)products.In this study,we determined that the local electric field can promote the C-C coupling reaction and enhance CO_(2)electroreduction to C_(2)products.First,finite-element simulations indicated that the high curvature of the Cu nanoneedles results in a large local electric field on their tips.Density functional theory(DFT)calculations proved that a large electric field can promote C-C coupling.Motivated by this prediction,we prepared a series of Cu catalysts with different curvatures.The Cu nanoneedles(NNs)exhibited the largest number of curvatures,followed by the Cu nanorods(NRs),and Cu nanoparticles(NPs).The Cu NNs contained the highest concentration of adsorbed K+,which resulted in the highest local electric field on the needles.CO adsorption sensor tests indicated that the Cu NNs exhibited the strongest CO adsorption ability,and in-situ Fourier-transform infrared spectroscopy(FTIR)showed the strongest*COCO and*CO signals for the Cu NNs.These experimental results demonstrate that high-curvature nanoneedles can induce a large local electric field,thus promoting C-C coupling.As a result,the Cu NNs show a maximum FEC_(2)of 44%for CO_(2)RR at a low potential(-0.6 V vs.RHE),which is approximately 2.2 times that of the Cu NPs.This work provides an effective strategy for enhancing the production of multi-carbon products during CO_(2)RR.
