Triplet-triplet energy transfer in fluorene dimer with electronic structure calculations. The two is investigated by combining rate theories key parameters for the control of energy transfer, electronic coupling and r...Triplet-triplet energy transfer in fluorene dimer with electronic structure calculations. The two is investigated by combining rate theories key parameters for the control of energy transfer, electronic coupling and reorganization energy, are calculated based on the diabatic states constructed by the constrained density functional theory. The fluctuation of the electronic coupling is further revealed by molecular dynamics simulation. Succeedingly, the diagonal and off-diagonal fluctuations of the Hamiltonian are mapped from the correlation functions of those parameters, and the rate is then estimated both from the perturbation theory and wavepacket diffusion method. The results manifest that both the static and dynamic fluctuations enhance the rate significantly, but the rate from the dynamic fluctuation is smaller than that from the static fluctuation.展开更多
This paper discusses the evolutions of invariant manifolds of Halo orbits by low-thrust and lunar gravity. The possibility of applying all these manifolds in designing low-thrust transfer, and the presence of single-i...This paper discusses the evolutions of invariant manifolds of Halo orbits by low-thrust and lunar gravity. The possibility of applying all these manifolds in designing low-thrust transfer, and the presence of single-impulse trajectories under lunar gravity are also explained. The relationship between invafiant manifolds and the altitude of the perigee is investigated using a Poincare map. Six types of single-impulse transfer trajectories are then attained from the geometry of the invariant manifolds. The evolutions of controlled manifolds are surveyed by the gradient law of Jacobi energy, and the following conclusions are drawn. First, the low thrust （acceleration or deceleration） near the libration point is very inefficient that the spacecraft free-flies along the invariant manifolds. The purpose is to increase its velocity and avoid stagnation near the libration point. Second, all con- trolled manifolds are captured because they lie inside the boundary of Eatlh＇s gravity trap in the configuration space. The evo- lutions of invariant manifolds under lunar gravity are indicated from the relationship between the lunar phasic angle and the altitude of the perigee. Third and last, most of the manifolds have preserved their topologies in the circular restricted three-body problem. However, the altitudes of the perigee of few manifolds are quite non-continuous, which can be used to generate single-impulse flyby trajectories.展开更多
基金This work was supported by the National Natural Science Foundation of China （No.20833004 and No.21073146） and the Research Fund for the Doctoral Program of Higher Education of China （No.200803840009）.
文摘Triplet-triplet energy transfer in fluorene dimer with electronic structure calculations. The two is investigated by combining rate theories key parameters for the control of energy transfer, electronic coupling and reorganization energy, are calculated based on the diabatic states constructed by the constrained density functional theory. The fluctuation of the electronic coupling is further revealed by molecular dynamics simulation. Succeedingly, the diagonal and off-diagonal fluctuations of the Hamiltonian are mapped from the correlation functions of those parameters, and the rate is then estimated both from the perturbation theory and wavepacket diffusion method. The results manifest that both the static and dynamic fluctuations enhance the rate significantly, but the rate from the dynamic fluctuation is smaller than that from the static fluctuation.
基金supported by the National Natural Science Foundation of China (Grant No. 11172020)the "Vision" Foundation for the Talents from Ministry of Industry and Information Technology of Chinathe"BlueSky" Foundation for the Talents from Beijing University of Aeronautics and Astronautics
文摘This paper discusses the evolutions of invariant manifolds of Halo orbits by low-thrust and lunar gravity. The possibility of applying all these manifolds in designing low-thrust transfer, and the presence of single-impulse trajectories under lunar gravity are also explained. The relationship between invafiant manifolds and the altitude of the perigee is investigated using a Poincare map. Six types of single-impulse transfer trajectories are then attained from the geometry of the invariant manifolds. The evolutions of controlled manifolds are surveyed by the gradient law of Jacobi energy, and the following conclusions are drawn. First, the low thrust （acceleration or deceleration） near the libration point is very inefficient that the spacecraft free-flies along the invariant manifolds. The purpose is to increase its velocity and avoid stagnation near the libration point. Second, all con- trolled manifolds are captured because they lie inside the boundary of Eatlh＇s gravity trap in the configuration space. The evo- lutions of invariant manifolds under lunar gravity are indicated from the relationship between the lunar phasic angle and the altitude of the perigee. Third and last, most of the manifolds have preserved their topologies in the circular restricted three-body problem. However, the altitudes of the perigee of few manifolds are quite non-continuous, which can be used to generate single-impulse flyby trajectories.
