In order to track the desired path as fast as possible,a novel autonomous vehicle path tracking based on model predictive control(MPC)and PID speed control was proposed for high-speed automated vehicles considering th...In order to track the desired path as fast as possible,a novel autonomous vehicle path tracking based on model predictive control(MPC)and PID speed control was proposed for high-speed automated vehicles considering the constraints of vehicle physical limits,in which a forward-backward integration scheme was introduced to generate a time-optimal speed profile subject to the tire-road friction limit.Moreover,this scheme was further extended along one moving prediction window.In the MPC controller,the prediction model was an 8-degree-of-freedom(DOF)vehicle model,while the plant was a 14-DOF vehicle model.For lateral control,a sequence of optimal wheel steering angles was generated from the MPC controller;for longitudinal control,the total wheel torque was generated from the PID speed controller embedded in the MPC framework.The proposed controller was implemented in MATLAB considering arbitrary curves of continuously varying curvature as the reference trajectory.The simulation test results show that the tracking errors are small for vehicle lateral and longitudinal positions and the tracking performances for trajectory and speed are good using the proposed controller.Additionally,the case of extended implementation in one moving prediction window requires shorter travel time than the case implemented along the entire path.展开更多
A new path planning method for mobile robots in globally unknown environment with moving obstacles is pre- sented. With an autoregressive (AR) model to predict the future positions of moving obstacles, and the predict...A new path planning method for mobile robots in globally unknown environment with moving obstacles is pre- sented. With an autoregressive (AR) model to predict the future positions of moving obstacles, and the predicted position taken as the next position of moving obstacles, a motion path in dynamic uncertain environment is planned by means of an on-line real-time path planning technique based on polar coordinates in which the desirable direction angle is taken into consideration as an optimization index. The effectiveness, feasibility, high stability, perfect performance of obstacle avoidance, real-time and optimization capability are demonstrated by simulation examples.展开更多
A hybrid grid-point statistical interpolation-ensemble transform Kalman filter (GSI-ETKF) data assimilation system for the Weather Research and Forecasting (WRF) model was developed and applied to typhoon track foreca...A hybrid grid-point statistical interpolation-ensemble transform Kalman filter (GSI-ETKF) data assimilation system for the Weather Research and Forecasting (WRF) model was developed and applied to typhoon track forecast with simulated dropsonde observations. This hybrid system showed significantly improved results with respect to tropical cyclone track forecast compared to the standard GSI system in the case of Muifa in 2011. Further analyses revealed that the flow-dependent ensemble covariance was the major contributor to the better performance of the GSI-ETKF system than the standard GSI system; the GSI-ETKF system was found to be potentially able to adjust the position of the typhoon vortex systematically and better update the environmental field.展开更多
Reduced graphene oxide is the precursor to produce graphene in a large scale;however,to date,there has been no consensus on the electronic structure of reduced graphene oxide.In this study,we carried out an ab initio ...Reduced graphene oxide is the precursor to produce graphene in a large scale;however,to date,there has been no consensus on the electronic structure of reduced graphene oxide.In this study,we carried out an ab initio molecular dynamics simulation to investigate the adsorption process of hydroxyl groups on graphene surface.During the adsorption process,the OH group needs to firstly pass through a physical adsorption complex with the OH above the bridge site of two carbon atoms,next to surmount a transition state,then to be adsorbed at the atop site of a carbon atom.With a 5×5 graphene surface,up to 6 hydroxyl groups can be adsorbed on the graphene surface,indicating the concentration coverage of the hydroxyl groups on graphene surface is about 12%.The simulation results show that the negative adsorption energy increases linearly as the number of adsorbed hydroxyl groups increases,and the band gap also increases linearly with the number of adsorbed hydroxyl groups.展开更多
In order to analyze the complex chemical kinetic mechanism systematically and find out the redundant species and reactions, a numerical platform for mechanism analysis and simplification is established basing on Path ...In order to analyze the complex chemical kinetic mechanism systematically and find out the redundant species and reactions, a numerical platform for mechanism analysis and simplification is established basing on Path Flux Analysis (PFA). It is used to reduce a detailed mechanism for flame inhibited by phosphorus containing compounds, a reduced mechanism with 65 species and 335 reactions is obtained. The detailed and reduced mechanism are both used to calculate the freely-propagating premix C3H8/air flame with different dimethyl methylphosphonate doped over a wide range of equivalence ratios. The concentration distributions of free radicals and major species are compared, and the results under two different mechanisms agree well. The laminar flame speed obtained by the two mechanisms also matches well, with the maximum relative error introduces as a small value of 1.7%. On the basis of the reduced mechanism validation, the correlativity analysis is conducted between flame speed and flee radical concentrations, which can provide information for target species selection in the further mechanism reduction. By analyzing the species and reactions fluxes, the species and reaction paths which contribute the flame inhibition significantly are determined.展开更多
Based on the perspective of electricity supplier on the issues of Rural Surplus Labor resettlement, we analyzed China's rural electricity supplier development and resettlement of rural surplus labor issues and factor...Based on the perspective of electricity supplier on the issues of Rural Surplus Labor resettlement, we analyzed China's rural electricity supplier development and resettlement of rural surplus labor issues and factors, proposed the impact of sluggish development of rural electricity suppliers on their resettlement of the rural surplus labor force, and made the following suggestions: to develop township enterprises, to strengthen the construction of small towns, to settlement surplus labor force on the post, to transfer the surplus labor, to increase farmers' income; to eliminate the urban-rural dual structure, to implement loose household registration management system, to increase education level, to improve the quality of farmers, to provide information and improve guidance to change disorderly transfer to the orderly transfer.展开更多
The two-dimensional barrier passage is studied in the framework of Langevin statistical reactive dynamics.The optimal incident angle for a particle diffusing in the dissipative non-orthogonal environment with various ...The two-dimensional barrier passage is studied in the framework of Langevin statistical reactive dynamics.The optimal incident angle for a particle diffusing in the dissipative non-orthogonal environment with various strengthsof coupling between the two degrees of freedom is systematically calculated.The optimal diffusion path of the particlein a non-Ohmic damping system is revealed to have a probability to return to the potential valley under the combinedinfluence of the off-diagonal system tensors.展开更多
Formaldehyde and hydrogen peroxide are two important realistic molecules in atmospheric chemistry.We implement path integral Liouville dynamics(PILD)to calculate the dipolederivative autocorrelation function for obtai...Formaldehyde and hydrogen peroxide are two important realistic molecules in atmospheric chemistry.We implement path integral Liouville dynamics(PILD)to calculate the dipolederivative autocorrelation function for obtaining the infrared spectrum.In comparison to exact vibrational frequencies,PILD faithfully captures most nuclear quantum effects in vibrational dynamics as temperature changes and as the isotopic substitution occurs.展开更多
In this paper,the quadratic polynomial and cubic polynomial functions were applied to analyze the environmental Kuznets curve(EKC)of carbon emissions in Hebei Province.The improved STIRPAT model was also applied to as...In this paper,the quadratic polynomial and cubic polynomial functions were applied to analyze the environmental Kuznets curve(EKC)of carbon emissions in Hebei Province.The improved STIRPAT model was also applied to assess the driving factors and reduction paths for carbon emissions in Hebei Province.The results lead to three main conclusions.Firstly,carbon emissions and economic growth in Hebei Province are in a positive correlation stage which has not formed the EKC curve,and the“decoupling”stage between carbon emissions and economic growth has not arrived yet.Secondly,the industrial structure,per capita GDP,fixed assets investment,population size and urbanization rate account for the highest proportion of carbon emissions.Carbon emissions can be reduced greatly by changing the energy structure,in which the proportion of coal is decreased year by year.Environmental regulation also has an obvious effect on the reduction of carbon emissions.Thirdly,it is suggested that the reduction of carbon emissions in Hebei Province should focus on four tasks:controlling the development of heavy industry,avoiding overcapacity,optimizing the industrial structure and accelerating the development of clean energy.展开更多
Through-flow method is still widely applied in the revolution of the design of a turbomachinery, which can provide not merely the performance characteristic but also the flow field. In this study,a program based on th...Through-flow method is still widely applied in the revolution of the design of a turbomachinery, which can provide not merely the performance characteristic but also the flow field. In this study,a program based on the through-flow method was proposed, which had been verified by many other numerical examples. So as to improve the accuracy of the calculation, abundant loss and deviation models dependent on the real geometry of engine were put into use,such as: viscous losses,overflow in gaps, leakage from a flow path through seals. By means of this program, the aerodynamic performance of a certain high through-flow commercial fan/booster was investigated. On account of the radial distributions of the relevant parameters, flow deterioration in this machine was speculated. To confirm this surmise, 3-D numerical simulation was carried out with the help of the NUMECA software. Through detailed analysis, the speculation above was demonstrated, which provide sufficient evidence for the conclusion that the through-flow method is an essential and effective method for the performance prediction of the fan/booster.展开更多
We describe a computational approach,incorporating quantum mechanics into enzyme kinetics modeling with a special emphasis on computation of kinetic isotope effects.Two aspects are highlighted:(1) the potential energy...We describe a computational approach,incorporating quantum mechanics into enzyme kinetics modeling with a special emphasis on computation of kinetic isotope effects.Two aspects are highlighted:(1) the potential energy surface is represented by a combined quantum mechanical and molecular mechanical(QM/MM) potential in which the bond forming and breaking processes are modeled by electronic structure theory,and(2) a free energy perturbation method in path integral simulation is used to determine both kinetic isotope effects(KIEs).In this approach,which is called the PI-FEP/UM method,a light(heavy) isotope is mutated into a heavy(light) counterpart in centroid path integral simulations.The method is illustrated in the study of primary and secondary KIEs in two enzyme systems.In the case of nitroalkane oxidase,the enzymatic reaction exhibits enhanced quantum tunneling over that of the uncatalyzed process in water.In the dopa delarboxylase reaction,there appears to be distinguishable primary carbon-13 and secondary deuterium KIEs when the internal proton tautomerism is in the N-protonated or in the O-protonated positions.These examples show that the incorporation of quantum mechanical effects in enzyme kinetics modeling offers an opportunity to accurately and reliably model the mechanisms and free energies of enzymatic reactions.展开更多
The surface diffusion of Pt dimers on Wulff polyhedral clusters with 586-12934 atoms was studied by the embedded atom method. The minimum energy diffusion path and the corresponding energy barrier for dimer diffusion ...The surface diffusion of Pt dimers on Wulff polyhedral clusters with 586-12934 atoms was studied by the embedded atom method. The minimum energy diffusion path and the corresponding energy barrier for dimer diffusion on cluster surfaces were determined through a combination of the quenched Molecular Dynamics and the Nudged Elastic Band method. It was found that the diffusion of a dimer across the step-edge by dissociation and consecutive single-atom exchange with the edge atoms, rather than diffusion over the edge as a unit. Therefore, the step can enhance the dissociation of the dimer. For small Wulff polyhedral clusters containing up to 2000 atoms, the energy barrier for dimer diffusion from the {111} to the {100} facet is almost equal to that for the single adatom diffusion on the flat {111} surface. From the calculated cluster size dependence of the energy barrier, we conclude that the Wulff polyhedral cluster is stable, as the cluster has more than about 2000 atoms.展开更多
基金Project(20180608005600843855-19)supported by the International Graduate Exchange Program of Beijing Institute of Technology,China。
文摘In order to track the desired path as fast as possible,a novel autonomous vehicle path tracking based on model predictive control(MPC)and PID speed control was proposed for high-speed automated vehicles considering the constraints of vehicle physical limits,in which a forward-backward integration scheme was introduced to generate a time-optimal speed profile subject to the tire-road friction limit.Moreover,this scheme was further extended along one moving prediction window.In the MPC controller,the prediction model was an 8-degree-of-freedom(DOF)vehicle model,while the plant was a 14-DOF vehicle model.For lateral control,a sequence of optimal wheel steering angles was generated from the MPC controller;for longitudinal control,the total wheel torque was generated from the PID speed controller embedded in the MPC framework.The proposed controller was implemented in MATLAB considering arbitrary curves of continuously varying curvature as the reference trajectory.The simulation test results show that the tracking errors are small for vehicle lateral and longitudinal positions and the tracking performances for trajectory and speed are good using the proposed controller.Additionally,the case of extended implementation in one moving prediction window requires shorter travel time than the case implemented along the entire path.
文摘A new path planning method for mobile robots in globally unknown environment with moving obstacles is pre- sented. With an autoregressive (AR) model to predict the future positions of moving obstacles, and the predicted position taken as the next position of moving obstacles, a motion path in dynamic uncertain environment is planned by means of an on-line real-time path planning technique based on polar coordinates in which the desirable direction angle is taken into consideration as an optimization index. The effectiveness, feasibility, high stability, perfect performance of obstacle avoidance, real-time and optimization capability are demonstrated by simulation examples.
基金supported by the Project for public welfare (Meteorology) of China(Grant No.GYHY201206006)the National Natural Science Foundation of China(Grant Nos.40975067 and 41175094)
文摘A hybrid grid-point statistical interpolation-ensemble transform Kalman filter (GSI-ETKF) data assimilation system for the Weather Research and Forecasting (WRF) model was developed and applied to typhoon track forecast with simulated dropsonde observations. This hybrid system showed significantly improved results with respect to tropical cyclone track forecast compared to the standard GSI system in the case of Muifa in 2011. Further analyses revealed that the flow-dependent ensemble covariance was the major contributor to the better performance of the GSI-ETKF system than the standard GSI system; the GSI-ETKF system was found to be potentially able to adjust the position of the typhoon vortex systematically and better update the environmental field.
基金supported by the National Natural Science Foundation of China(No.11774206)Taishan Scholarship Fund from Shandong Province。
文摘Reduced graphene oxide is the precursor to produce graphene in a large scale;however,to date,there has been no consensus on the electronic structure of reduced graphene oxide.In this study,we carried out an ab initio molecular dynamics simulation to investigate the adsorption process of hydroxyl groups on graphene surface.During the adsorption process,the OH group needs to firstly pass through a physical adsorption complex with the OH above the bridge site of two carbon atoms,next to surmount a transition state,then to be adsorbed at the atop site of a carbon atom.With a 5×5 graphene surface,up to 6 hydroxyl groups can be adsorbed on the graphene surface,indicating the concentration coverage of the hydroxyl groups on graphene surface is about 12%.The simulation results show that the negative adsorption energy increases linearly as the number of adsorbed hydroxyl groups increases,and the band gap also increases linearly with the number of adsorbed hydroxyl groups.
基金Supported by the National Natural Science Foundation of China (51176181), the National Basic Research Program of China (2012CB719704), and the Research Fund for the Doctoral Program of Higher Education (20123402110047).
文摘In order to analyze the complex chemical kinetic mechanism systematically and find out the redundant species and reactions, a numerical platform for mechanism analysis and simplification is established basing on Path Flux Analysis (PFA). It is used to reduce a detailed mechanism for flame inhibited by phosphorus containing compounds, a reduced mechanism with 65 species and 335 reactions is obtained. The detailed and reduced mechanism are both used to calculate the freely-propagating premix C3H8/air flame with different dimethyl methylphosphonate doped over a wide range of equivalence ratios. The concentration distributions of free radicals and major species are compared, and the results under two different mechanisms agree well. The laminar flame speed obtained by the two mechanisms also matches well, with the maximum relative error introduces as a small value of 1.7%. On the basis of the reduced mechanism validation, the correlativity analysis is conducted between flame speed and flee radical concentrations, which can provide information for target species selection in the further mechanism reduction. By analyzing the species and reactions fluxes, the species and reaction paths which contribute the flame inhibition significantly are determined.
文摘Based on the perspective of electricity supplier on the issues of Rural Surplus Labor resettlement, we analyzed China's rural electricity supplier development and resettlement of rural surplus labor issues and factors, proposed the impact of sluggish development of rural electricity suppliers on their resettlement of the rural surplus labor force, and made the following suggestions: to develop township enterprises, to strengthen the construction of small towns, to settlement surplus labor force on the post, to transfer the surplus labor, to increase farmers' income; to eliminate the urban-rural dual structure, to implement loose household registration management system, to increase education level, to improve the quality of farmers, to provide information and improve guidance to change disorderly transfer to the orderly transfer.
基金Supported by the Scientific Research Starting Foundation of Qufu Normal University and the National Natural Science Foundation of China under Grant No.10847101
文摘The two-dimensional barrier passage is studied in the framework of Langevin statistical reactive dynamics.The optimal incident angle for a particle diffusing in the dissipative non-orthogonal environment with various strengthsof coupling between the two degrees of freedom is systematically calculated.The optimal diffusion path of the particlein a non-Ohmic damping system is revealed to have a probability to return to the potential valley under the combinedinfluence of the off-diagonal system tensors.
文摘Formaldehyde and hydrogen peroxide are two important realistic molecules in atmospheric chemistry.We implement path integral Liouville dynamics(PILD)to calculate the dipolederivative autocorrelation function for obtaining the infrared spectrum.In comparison to exact vibrational frequencies,PILD faithfully captures most nuclear quantum effects in vibrational dynamics as temperature changes and as the isotopic substitution occurs.
基金The National Natural Science Foundation of China(71991481,71991484,41971163)The Humanities and Social Science Research Project of Hebei Education Department(SQ2021081)The National key research and development program(2016YFA0602800)。
文摘In this paper,the quadratic polynomial and cubic polynomial functions were applied to analyze the environmental Kuznets curve(EKC)of carbon emissions in Hebei Province.The improved STIRPAT model was also applied to assess the driving factors and reduction paths for carbon emissions in Hebei Province.The results lead to three main conclusions.Firstly,carbon emissions and economic growth in Hebei Province are in a positive correlation stage which has not formed the EKC curve,and the“decoupling”stage between carbon emissions and economic growth has not arrived yet.Secondly,the industrial structure,per capita GDP,fixed assets investment,population size and urbanization rate account for the highest proportion of carbon emissions.Carbon emissions can be reduced greatly by changing the energy structure,in which the proportion of coal is decreased year by year.Environmental regulation also has an obvious effect on the reduction of carbon emissions.Thirdly,it is suggested that the reduction of carbon emissions in Hebei Province should focus on four tasks:controlling the development of heavy industry,avoiding overcapacity,optimizing the industrial structure and accelerating the development of clean energy.
基金supported by National Natural Science Foundation of China(51236001)National Basic Research Program of China(2012CB720201)Beijing Natural Science Foundation(No.3151002)
文摘Through-flow method is still widely applied in the revolution of the design of a turbomachinery, which can provide not merely the performance characteristic but also the flow field. In this study,a program based on the through-flow method was proposed, which had been verified by many other numerical examples. So as to improve the accuracy of the calculation, abundant loss and deviation models dependent on the real geometry of engine were put into use,such as: viscous losses,overflow in gaps, leakage from a flow path through seals. By means of this program, the aerodynamic performance of a certain high through-flow commercial fan/booster was investigated. On account of the radial distributions of the relevant parameters, flow deterioration in this machine was speculated. To confirm this surmise, 3-D numerical simulation was carried out with the help of the NUMECA software. Through detailed analysis, the speculation above was demonstrated, which provide sufficient evidence for the conclusion that the through-flow method is an essential and effective method for the performance prediction of the fan/booster.
基金supported in part by the National Institutes of Health (GM46736)
文摘We describe a computational approach,incorporating quantum mechanics into enzyme kinetics modeling with a special emphasis on computation of kinetic isotope effects.Two aspects are highlighted:(1) the potential energy surface is represented by a combined quantum mechanical and molecular mechanical(QM/MM) potential in which the bond forming and breaking processes are modeled by electronic structure theory,and(2) a free energy perturbation method in path integral simulation is used to determine both kinetic isotope effects(KIEs).In this approach,which is called the PI-FEP/UM method,a light(heavy) isotope is mutated into a heavy(light) counterpart in centroid path integral simulations.The method is illustrated in the study of primary and secondary KIEs in two enzyme systems.In the case of nitroalkane oxidase,the enzymatic reaction exhibits enhanced quantum tunneling over that of the uncatalyzed process in water.In the dopa delarboxylase reaction,there appears to be distinguishable primary carbon-13 and secondary deuterium KIEs when the internal proton tautomerism is in the N-protonated or in the O-protonated positions.These examples show that the incorporation of quantum mechanical effects in enzyme kinetics modeling offers an opportunity to accurately and reliably model the mechanisms and free energies of enzymatic reactions.
基金supported by the National Natural Science Foundation of China (Grant No. 50971058)the Hunan Provincial Natural Science Foundation of China (Grant No. 10JJ3050)
文摘The surface diffusion of Pt dimers on Wulff polyhedral clusters with 586-12934 atoms was studied by the embedded atom method. The minimum energy diffusion path and the corresponding energy barrier for dimer diffusion on cluster surfaces were determined through a combination of the quenched Molecular Dynamics and the Nudged Elastic Band method. It was found that the diffusion of a dimer across the step-edge by dissociation and consecutive single-atom exchange with the edge atoms, rather than diffusion over the edge as a unit. Therefore, the step can enhance the dissociation of the dimer. For small Wulff polyhedral clusters containing up to 2000 atoms, the energy barrier for dimer diffusion from the {111} to the {100} facet is almost equal to that for the single adatom diffusion on the flat {111} surface. From the calculated cluster size dependence of the energy barrier, we conclude that the Wulff polyhedral cluster is stable, as the cluster has more than about 2000 atoms.