In this paper, the adjoint method is applied to the statistical-dynamic model (SD-90) for the prediction of typhoon tracks along with the regularization thinking and optimal control techniques. The adjoint model and...In this paper, the adjoint method is applied to the statistical-dynamic model (SD-90) for the prediction of typhoon tracks along with the regularization thinking and optimal control techniques. The adjoint model and the gradient of objective function are deduced with the continual model respectively. For 4 typical typhoons, the forces and the initial velocity can be retrieved well, and the tracks of these typhoons are accurately fitted for an appropriate regularization parameter and optimal control parameter.展开更多
The major objective of this work was to calculate evacuation capacity and solve the optimal routing problem in a given station topology from a network optimization perspective where station facilities were modelled as...The major objective of this work was to calculate evacuation capacity and solve the optimal routing problem in a given station topology from a network optimization perspective where station facilities were modelled as open finite queueing networks with a multi-objective set of performance measures. The optimal routing problem was determined so that the number of evacuation passengers was maximized while the service level was higher than a certain criterion. An analytical technique for modelling open finite queueing networks, called the iteration generalized expansion method(IGEM), was utilized to calculate the desired outputs. A differential evolution algorithm was presented for determining the optimal routes. As demonstrated, the design methodology which combines the optimization and analytical queueing network models provides a very effective procedure for simultaneously determining the service level and the maximum number of evacuation passengers in the best evacuation routes.展开更多
On the basis of introducing the principle of path analy- sis, this paper positively analyzes the influence factors of culti- vated land change from 1978 to 2002 in Hubei Province. The relationship between the influenc...On the basis of introducing the principle of path analy- sis, this paper positively analyzes the influence factors of culti- vated land change from 1978 to 2002 in Hubei Province. The relationship between the influence factors and cultivated land change is studied by means of the path analysis. The results show that the construction rearrangement of agriculture, grain security and market mechanism are the main factors that decide the culti- vated land change. Meanwhile, the impact of investment, urbani- zation and benefit gap among the different utilizing ways also leads to the change of cultivated land. The result means that though some factors have less direct influence on the change of cultivated land, their indirect influence is significant or vice versa.展开更多
This article uses the phase space path integral method to find the propagator for a particle with a force quadratic in velocity. Two specific canonical transformations has been used for this purpose.
Nowadays, China has entered the aging countries sequence, reform and development of the social insurance system is facing more opportunities and challenges, which give the social insurance audit work of the new requir...Nowadays, China has entered the aging countries sequence, reform and development of the social insurance system is facing more opportunities and challenges, which give the social insurance audit work of the new requirements. In practice, the social insurance audit work has encountered new conflicts and problems. Due to the socio-economic composition, organizational forms, forms of employment, interest, distribution relations have had a dramatic and profound change, labor relations was diversified, contract, complex features, social insurance premium is difficult, concealed drain Daily contribution base, have occurred impersonator false and social insurance benefits behavior. Loss of the social insurance fund is now urgently containment dike, to further regulate the social insurance audit work has become an important issue in the New Social Insurance Development. Therefore, we must establish a sound social security audit system, and promote the integration of social security audits, and thus be able to maintain the smooth progress of China's social insurance work.展开更多
An efficient and accurate method for computing the equilibriurn reduced density matrix is presented for treating open quantum systems characterized by the systern-bath model. The method employs the rnultilayer nmltico...An efficient and accurate method for computing the equilibriurn reduced density matrix is presented for treating open quantum systems characterized by the systern-bath model. The method employs the rnultilayer nmlticonfiguration tirne-dependent Hartree theory for imag- inary time propagation and an importance sampling procedure for calculating the quantum mechanical trace. The method is applied to the spin-boson Harniltonian, which leads to ac- curate results in agreement with those produced by the rnulti-electronic-state path integral molecular dynamics method.展开更多
A typhoon bogus data assimilation scheme (BDA) using dimension-reduced projection four-dimen-sional variational data assimilation (DRP-4-DVar),called DRP-BDA for short,is built in the Advanced Regional Eta Model (AREM...A typhoon bogus data assimilation scheme (BDA) using dimension-reduced projection four-dimen-sional variational data assimilation (DRP-4-DVar),called DRP-BDA for short,is built in the Advanced Regional Eta Model (AREM).As an adjoint-free approach,DRP-BDA saves time,and only several minutes are taken for the full BDA process.To evaluate its performance,the DRP-BDA is applied to a case study on a landfall ty-phoon,Fengshen (2008),from the Northwestern Pacific Ocean to Guangdong province,in which the bogus sea level pressure (SLP) is assimilated as a kind of observa-tion.The results show that a more realistic typhoon with correct center position,stronger warm core vortex,and more reasonable wind fields is reproduced in the analyzed initial condition through the new approach.Compared with the control run (CTRL) initialized with NCEP Final (FNL) Global Tropospheric Analyses,the DRP-BDA leads to an evidently positive impact on typhoon track forecasting and a small positive impact on typhoon inten-sity forecasting.Furthermore,the forecast landfall time conforms to the observed landfall time,and the forecast track error at the 36th hour is 32 km,which is much less than that of the CTRL (450 km).展开更多
When a liquid is supercooled,its structural equilibration timeτeqincreases sharply approaching the glass transition temperature Tg,below which it is kinetically arrested in the out of equilibrium glassy state.Upon an...When a liquid is supercooled,its structural equilibration timeτeqincreases sharply approaching the glass transition temperature Tg,below which it is kinetically arrested in the out of equilibrium glassy state.Upon annealing below Tg,such glassy state relaxes toward the equilibrium state.There is growing evidence that such relaxation process is quite complex,influenced by the complexity of the potential energy landscape.Here we report the observation of a hierarchical aging pathway in the process of the glass-to-supercooled liquid transition in various molecular glass forming systems.Differential scanning calorimetry reveals that the glassy state upon annealing below Tgfirstly enters a transient metastable supercooled liquid state with slightly higher enthalpies than that of the equilibrium supercooled liquid state when extrapolated to below Tg.This observation is also confirmed by structural measurements via Raman scattering.The dynamics of the transient metastable-to-stable supercooled liquid transition exhibits characteristics of thermodynamic transition at spinodal temperature Tspslightly above Tg,leading to anomalous behaviors such as the appearance of a transition-like behavior in the plot of fragility measurements.These observations imply that the free energy landscape of the supercooled liquid develops complexity with qualitative changes approaching Tgand could have strong influence on the process of the glass transition.展开更多
Traditional variational data assimilation (VDA) with only one regularization parameter constraint cannot produce optimal error tuning for all observations. In this paper, a new data assimilation method of "four dim...Traditional variational data assimilation (VDA) with only one regularization parameter constraint cannot produce optimal error tuning for all observations. In this paper, a new data assimilation method of "four dimensional variational data assimilation (4D-Var) with multiple regularization parameters as a weak constraint (Tikh-4D-Var)" is proposed by imposing different reg- ularization parameters for different observations. Meanwhile, a new multiple regularization parameters selection method, which is suitable for actual high-dimensional data assimilation system, is proposed based on the posterior information of 4D-Var system. Compared with the traditional single regularization parameter selection method, computation of the proposed multiple regularization parameters selection method is smaller. Based on WRF3.3.1 4D-Vat data assimilation system, initiali- zation and simulation of typhoon Chaba (2010) with the new Tikh-4D-Var method are compared with its counterpart 4D-Var to demonstrate the effectiveness of the new method. Results show that the new Tikh-4D-Var method can accelerate the con vergence with less iterations. Moreover, compared with 4D-Var method, the typhoon track, intensity (including center surface pressure and maximum wind speed) and structure prediction are obviously improved with Tikh-4D-Var method for 72-h pre- diction. In addition, the accuracy of the observation error variances can be reflected by the multiple regularization parameters.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
基金The National Nature Science Foundation of China under Grant No.90411006 supported this work simultaneously.
文摘In this paper, the adjoint method is applied to the statistical-dynamic model (SD-90) for the prediction of typhoon tracks along with the regularization thinking and optimal control techniques. The adjoint model and the gradient of objective function are deduced with the continual model respectively. For 4 typical typhoons, the forces and the initial velocity can be retrieved well, and the tracks of these typhoons are accurately fitted for an appropriate regularization parameter and optimal control parameter.
基金Project(2011BAG01B01)supported by the Key Technologies Research Development Program,ChinaProject(RCS2012ZZ002)supported by State Key Laboratory of Rail Traffic Control&Safety,China
文摘The major objective of this work was to calculate evacuation capacity and solve the optimal routing problem in a given station topology from a network optimization perspective where station facilities were modelled as open finite queueing networks with a multi-objective set of performance measures. The optimal routing problem was determined so that the number of evacuation passengers was maximized while the service level was higher than a certain criterion. An analytical technique for modelling open finite queueing networks, called the iteration generalized expansion method(IGEM), was utilized to calculate the desired outputs. A differential evolution algorithm was presented for determining the optimal routes. As demonstrated, the design methodology which combines the optimization and analytical queueing network models provides a very effective procedure for simultaneously determining the service level and the maximum number of evacuation passengers in the best evacuation routes.
文摘On the basis of introducing the principle of path analy- sis, this paper positively analyzes the influence factors of culti- vated land change from 1978 to 2002 in Hubei Province. The relationship between the influence factors and cultivated land change is studied by means of the path analysis. The results show that the construction rearrangement of agriculture, grain security and market mechanism are the main factors that decide the culti- vated land change. Meanwhile, the impact of investment, urbani- zation and benefit gap among the different utilizing ways also leads to the change of cultivated land. The result means that though some factors have less direct influence on the change of cultivated land, their indirect influence is significant or vice versa.
文摘This article uses the phase space path integral method to find the propagator for a particle with a force quadratic in velocity. Two specific canonical transformations has been used for this purpose.
文摘Nowadays, China has entered the aging countries sequence, reform and development of the social insurance system is facing more opportunities and challenges, which give the social insurance audit work of the new requirements. In practice, the social insurance audit work has encountered new conflicts and problems. Due to the socio-economic composition, organizational forms, forms of employment, interest, distribution relations have had a dramatic and profound change, labor relations was diversified, contract, complex features, social insurance premium is difficult, concealed drain Daily contribution base, have occurred impersonator false and social insurance benefits behavior. Loss of the social insurance fund is now urgently containment dike, to further regulate the social insurance audit work has become an important issue in the New Social Insurance Development. Therefore, we must establish a sound social security audit system, and promote the integration of social security audits, and thus be able to maintain the smooth progress of China's social insurance work.
基金supported by the U.S.National Science Foundation CHE-1500285used resources from the National Energy Research Scientific Computing Center,which is supported by the Office of Science of the U.S.Department of Energy under Contract No.DE-AC02-05CH11231+2 种基金supported by the Ministry of Science and Technology of China(No.2017YFA0204901 and No.2016YFC0202803)the National Natural Science Foundation of China(No.21373018 and No.21573007)the Recruitment Program of Global Experts,and Special Program for Applied Research on Super Computation of the NSFC-Guangdong Joint Fund(the second phase) under grant No.U1501501
文摘An efficient and accurate method for computing the equilibriurn reduced density matrix is presented for treating open quantum systems characterized by the systern-bath model. The method employs the rnultilayer nmlticonfiguration tirne-dependent Hartree theory for imag- inary time propagation and an importance sampling procedure for calculating the quantum mechanical trace. The method is applied to the spin-boson Harniltonian, which leads to ac- curate results in agreement with those produced by the rnulti-electronic-state path integral molecular dynamics method.
基金the Ministry of Finance of Chinathe China Meteorological Administration for the Special Project of Meteorological Sector (Grant No.GYHYQX200906009)the National Natural Science Foundation of China for the Innovation Group Project (Grant No.40821092)
文摘A typhoon bogus data assimilation scheme (BDA) using dimension-reduced projection four-dimen-sional variational data assimilation (DRP-4-DVar),called DRP-BDA for short,is built in the Advanced Regional Eta Model (AREM).As an adjoint-free approach,DRP-BDA saves time,and only several minutes are taken for the full BDA process.To evaluate its performance,the DRP-BDA is applied to a case study on a landfall ty-phoon,Fengshen (2008),from the Northwestern Pacific Ocean to Guangdong province,in which the bogus sea level pressure (SLP) is assimilated as a kind of observa-tion.The results show that a more realistic typhoon with correct center position,stronger warm core vortex,and more reasonable wind fields is reproduced in the analyzed initial condition through the new approach.Compared with the control run (CTRL) initialized with NCEP Final (FNL) Global Tropospheric Analyses,the DRP-BDA leads to an evidently positive impact on typhoon track forecasting and a small positive impact on typhoon inten-sity forecasting.Furthermore,the forecast landfall time conforms to the observed landfall time,and the forecast track error at the 36th hour is 32 km,which is much less than that of the CTRL (450 km).
基金supported by the National Basic Research Program of China (2015CB856801)
文摘When a liquid is supercooled,its structural equilibration timeτeqincreases sharply approaching the glass transition temperature Tg,below which it is kinetically arrested in the out of equilibrium glassy state.Upon annealing below Tg,such glassy state relaxes toward the equilibrium state.There is growing evidence that such relaxation process is quite complex,influenced by the complexity of the potential energy landscape.Here we report the observation of a hierarchical aging pathway in the process of the glass-to-supercooled liquid transition in various molecular glass forming systems.Differential scanning calorimetry reveals that the glassy state upon annealing below Tgfirstly enters a transient metastable supercooled liquid state with slightly higher enthalpies than that of the equilibrium supercooled liquid state when extrapolated to below Tg.This observation is also confirmed by structural measurements via Raman scattering.The dynamics of the transient metastable-to-stable supercooled liquid transition exhibits characteristics of thermodynamic transition at spinodal temperature Tspslightly above Tg,leading to anomalous behaviors such as the appearance of a transition-like behavior in the plot of fragility measurements.These observations imply that the free energy landscape of the supercooled liquid develops complexity with qualitative changes approaching Tgand could have strong influence on the process of the glass transition.
基金supported by National Natural Science Foundation of China(Grants Nos.41230421,41005029,41105012,41375106 and 41105065)National Public Benefit(Meteorology)Research Foundation of China(Grant No.GYHY 201106004)
文摘Traditional variational data assimilation (VDA) with only one regularization parameter constraint cannot produce optimal error tuning for all observations. In this paper, a new data assimilation method of "four dimensional variational data assimilation (4D-Var) with multiple regularization parameters as a weak constraint (Tikh-4D-Var)" is proposed by imposing different reg- ularization parameters for different observations. Meanwhile, a new multiple regularization parameters selection method, which is suitable for actual high-dimensional data assimilation system, is proposed based on the posterior information of 4D-Var system. Compared with the traditional single regularization parameter selection method, computation of the proposed multiple regularization parameters selection method is smaller. Based on WRF3.3.1 4D-Vat data assimilation system, initiali- zation and simulation of typhoon Chaba (2010) with the new Tikh-4D-Var method are compared with its counterpart 4D-Var to demonstrate the effectiveness of the new method. Results show that the new Tikh-4D-Var method can accelerate the con vergence with less iterations. Moreover, compared with 4D-Var method, the typhoon track, intensity (including center surface pressure and maximum wind speed) and structure prediction are obviously improved with Tikh-4D-Var method for 72-h pre- diction. In addition, the accuracy of the observation error variances can be reflected by the multiple regularization parameters.
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.