In this paper, a difference scheme with energy dynamic equilibrium (DS-EDE) is presented, which can be used for the simulation of long-term atmosphere and sea motion. Based on three dimensional nonlinear evolution equ...In this paper, a difference scheme with energy dynamic equilibrium (DS-EDE) is presented, which can be used for the simulation of long-term atmosphere and sea motion. Based on three dimensional nonlinear evolution equations for atmosphere and sea motion, a three dimensional compact upwind scheme (CUWS) is constructed, as the basis of the DS-EDE. The DS-EDE satisfies the following condition of energy dynamic equilibrium (EDE): the total work of external forces on the region boundary is equal to the sum of the total effective variation of the kinetic energy and the energy dissipation in the average flow motion and the effective variation of the potential energy per unit time within the region of interest. It really reflects the basic mechanism of the action of external forces and dissipation in atmosphere and sea movement. Therefore, the DS-EDE developed in this paper is a suitable model for simulating long-term atmosphere and sea movement with forcing and dissipation.展开更多
Geometric and electronic properties of Pdn–1Pb and Pdn （n≤8） clusters have been studied by using density functional theory with effective core potentials, focusing on the differences between mono- and bimetallic c...Geometric and electronic properties of Pdn–1Pb and Pdn （n≤8） clusters have been studied by using density functional theory with effective core potentials, focusing on the differences between mono- and bimetallic clusters. The average bond length of Pdn–1Pb （n≤8） bimetallic clusters is longer than that of pure palladium clusters except for n = 2 and 3. The most stable structure of Pdn–1Pb （n≤7） is the singlet where there is at least a Pd or Pb atom on its excited state. The energy gaps of Pd–Pb binary clusters are narrower than those of Pdn clusters, and then the chemical activity is strengthened when Pdn clusters are doped with Pb.展开更多
基金This study was supported by China Institute for Radiation Protection,partly by State Key Laboratory of Numerical Modeling for Atmosphenc Sciences and Geophysical Fluid Dynamics.
文摘In this paper, a difference scheme with energy dynamic equilibrium (DS-EDE) is presented, which can be used for the simulation of long-term atmosphere and sea motion. Based on three dimensional nonlinear evolution equations for atmosphere and sea motion, a three dimensional compact upwind scheme (CUWS) is constructed, as the basis of the DS-EDE. The DS-EDE satisfies the following condition of energy dynamic equilibrium (EDE): the total work of external forces on the region boundary is equal to the sum of the total effective variation of the kinetic energy and the energy dissipation in the average flow motion and the effective variation of the potential energy per unit time within the region of interest. It really reflects the basic mechanism of the action of external forces and dissipation in atmosphere and sea movement. Therefore, the DS-EDE developed in this paper is a suitable model for simulating long-term atmosphere and sea movement with forcing and dissipation.
文摘Geometric and electronic properties of Pdn–1Pb and Pdn （n≤8） clusters have been studied by using density functional theory with effective core potentials, focusing on the differences between mono- and bimetallic clusters. The average bond length of Pdn–1Pb （n≤8） bimetallic clusters is longer than that of pure palladium clusters except for n = 2 and 3. The most stable structure of Pdn–1Pb （n≤7） is the singlet where there is at least a Pd or Pb atom on its excited state. The energy gaps of Pd–Pb binary clusters are narrower than those of Pdn clusters, and then the chemical activity is strengthened when Pdn clusters are doped with Pb.
