The variational data assimilation scheme (VAR) is applied to investigating the advective effect and the evolution of the control variables in time splitting semi-Lagrangian framework. Two variational algorithms are us...The variational data assimilation scheme (VAR) is applied to investigating the advective effect and the evolution of the control variables in time splitting semi-Lagrangian framework. Two variational algorithms are used. One is the conjugate code method-direct approach, and another is the numerical backward integration of analytical adjoint equation—indirect approach. Theoretical derivation and sensitivity tests are conducted in order to verify the consistency and inconsistency of the two algorithms under the semi-Lagrangian framework. On the other hand, the sensitivity of the perfect and imperfect initial condition is also tested in both direct and indirect approaches. Our research has shown that the two algorithms are not only identical in theory, but also identical in numerical calculation. Furthermore, the algorithms of the indirect approach are much more feasible and efficient than that of the direct one when both are employed in the semi-Lagrangian framework. Taking advantage of semi-Lagrangian framework, one purpose of this paper is to illustrate when the variational assimilation algorithm is concerned in the computational method of the backward integration, the algorithm is extremely facilitated. Such simplicity in indirect approach should be meaningful for the VAR design in passive model. Indeed, if one can successfully split the diabatic and adiabatic process, the algorithms represented in this paper might be easily used in a more general vision of atmospheric model.展开更多
Management of groundwater resources and remediation of groundwater pollution require reliable quantification of contaminant dynamics in natural aquifers, which can involve complex chemical dynamics and challenge tradi...Management of groundwater resources and remediation of groundwater pollution require reliable quantification of contaminant dynamics in natural aquifers, which can involve complex chemical dynamics and challenge traditional modeling approaches. The kinetics of chemical reactions in groundwater are well known to be controlled by medium heterogeneity and reactant mixing, motivating the development of particle-based Lagrangian approaches. Previous Lagrangian solvers have been limited to fundamental bimolecular reactions in typically one-dimensional porous media. In contrast to other existing studies, this study developed a fully Lagrangian framework, which was used to simulate diffusion-controlled, multi-step reactions in one-, two-, and three-dimensional porous media. The interaction radius of a reactant molecule, which controls the probability of reaction, was derived by the agent-based approach for both irreversible and reversible reactions. A flexible particle tracking scheme was then developed to build trajectories for particles undergoing mixing-limited, multi-step reactions. The simulated particle dynamics were checked against the kinetics for diffusion-controlled reactions and thermodynamic wellmixed reactions in one-and two-dimensional domains. Applicability of the novel simulator was further tested by(1) simulating precipitation of calcium carbonate minerals in a two-dimensional medium, and(2) quantifying multi-step chemical reactions observed in the laboratory. The flexibility of the Lagrangian simulator allows further refinement to capture complex transport affecting chemical mixing and hence reactions.展开更多
By the generalized variational principle of two kinds of variables in general me-chanics,it was demonstrated that two Lagrangian classical relationships can be applied to both holonomic systems and nonholonomic system...By the generalized variational principle of two kinds of variables in general me-chanics,it was demonstrated that two Lagrangian classical relationships can be applied to both holonomic systems and nonholonomic systems. And the restriction that two Lagrangian classical relationships cannot be applied to nonholonomic systems for a long time was overcome. Then,one important formula of similar La-grangian classical relationship called the popularized Lagrangian classical rela-tionship was derived. From Vakonomic model,by two Lagrangian classical rela-tionships and the popularized Lagrangian classical relationship,the result is the same with Chetaev's model,and thus Chetaev's model and Vakonomic model were unified. Simultaneously,the Lagrangian theoretical framework of dynamics of nonholonomic system was established. By some representative examples,it was validated that the Lagrangian theoretical framework of dynamics of nonholonomic systems is right.展开更多
文摘The variational data assimilation scheme (VAR) is applied to investigating the advective effect and the evolution of the control variables in time splitting semi-Lagrangian framework. Two variational algorithms are used. One is the conjugate code method-direct approach, and another is the numerical backward integration of analytical adjoint equation—indirect approach. Theoretical derivation and sensitivity tests are conducted in order to verify the consistency and inconsistency of the two algorithms under the semi-Lagrangian framework. On the other hand, the sensitivity of the perfect and imperfect initial condition is also tested in both direct and indirect approaches. Our research has shown that the two algorithms are not only identical in theory, but also identical in numerical calculation. Furthermore, the algorithms of the indirect approach are much more feasible and efficient than that of the direct one when both are employed in the semi-Lagrangian framework. Taking advantage of semi-Lagrangian framework, one purpose of this paper is to illustrate when the variational assimilation algorithm is concerned in the computational method of the backward integration, the algorithm is extremely facilitated. Such simplicity in indirect approach should be meaningful for the VAR design in passive model. Indeed, if one can successfully split the diabatic and adiabatic process, the algorithms represented in this paper might be easily used in a more general vision of atmospheric model.
基金supported by the National Natural Science Foundation of China(Grants No.41330632,41628202,and 11572112)
文摘Management of groundwater resources and remediation of groundwater pollution require reliable quantification of contaminant dynamics in natural aquifers, which can involve complex chemical dynamics and challenge traditional modeling approaches. The kinetics of chemical reactions in groundwater are well known to be controlled by medium heterogeneity and reactant mixing, motivating the development of particle-based Lagrangian approaches. Previous Lagrangian solvers have been limited to fundamental bimolecular reactions in typically one-dimensional porous media. In contrast to other existing studies, this study developed a fully Lagrangian framework, which was used to simulate diffusion-controlled, multi-step reactions in one-, two-, and three-dimensional porous media. The interaction radius of a reactant molecule, which controls the probability of reaction, was derived by the agent-based approach for both irreversible and reversible reactions. A flexible particle tracking scheme was then developed to build trajectories for particles undergoing mixing-limited, multi-step reactions. The simulated particle dynamics were checked against the kinetics for diffusion-controlled reactions and thermodynamic wellmixed reactions in one-and two-dimensional domains. Applicability of the novel simulator was further tested by(1) simulating precipitation of calcium carbonate minerals in a two-dimensional medium, and(2) quantifying multi-step chemical reactions observed in the laboratory. The flexibility of the Lagrangian simulator allows further refinement to capture complex transport affecting chemical mixing and hence reactions.
基金Supported by the National Natural Science Foundation of China (Grant No. 10272034)the Research Fund for the Doctoral Program of Higher Education of Chinathe Basic Research Foundation of Harbin Engineering University (Grant No. 20060217020)
文摘By the generalized variational principle of two kinds of variables in general me-chanics,it was demonstrated that two Lagrangian classical relationships can be applied to both holonomic systems and nonholonomic systems. And the restriction that two Lagrangian classical relationships cannot be applied to nonholonomic systems for a long time was overcome. Then,one important formula of similar La-grangian classical relationship called the popularized Lagrangian classical rela-tionship was derived. From Vakonomic model,by two Lagrangian classical rela-tionships and the popularized Lagrangian classical relationship,the result is the same with Chetaev's model,and thus Chetaev's model and Vakonomic model were unified. Simultaneously,the Lagrangian theoretical framework of dynamics of nonholonomic system was established. By some representative examples,it was validated that the Lagrangian theoretical framework of dynamics of nonholonomic systems is right.
