Inclusion Modes of Berberine with β-Cyclodextrin in Aqueous Solution

The possible inclusion modes of berberine(Berb)with β-cyclodextrin(BCD)in aqueous solution were predicted by molecular docking,molecular dynamics(MD)simulation and binding free energy calculations.Firs...     

Collectivity of plasmon excitations in small sodium clusters with planar structure

The collectivity of the electronic motion in small sodium clusters with planar structure is studied by the time-dependent density functional theory (TDDFT). The formation and development of collective resonances in the absorption spectra were obtained as the function of the size and shape of the plane. We find the symmetry plays an important role in the collective excitation. Resonance peaks increase with the reduction of the symmetries and, on the contrary, resonance peaks decrease with the increase of the symmetries. In the planar cluster, there are two main excitation modes: the higher-energy mode and the competitive mode, which is due to the coupling and competition of the quasi-lower-energy effect and the quasi-higher-energy effect. With the increase of the interatomic distance, peaks of the absorption spectra are all red-shifted and the evolutionary trend is also discussed.     

Modified characteristic finite difference fractional step method for moving boundary value problem of percolation coupled system

For the coupled system with moving boundary values of multilayer dynamicsof fluids in porous media,a characteristic finite difference fractional step scheme appli-cable to the parallel arithmetic is put forward.Some techniques,such as the change ofregions,the calculus of variations,the piecewise threefold quadratic interpolation,themultiplicative commutation rule of difference operators,the decomposition of high orderdifference operators,and the prior estimates,are adopted.The optimal order estimatesin the l2norm are derived to determine the error in the approximate solution.This nu-merical method has been successfully used to simulate the flow of migration-accumulationof the multilayer percolation coupled system.Some numerical results are well illustratedin this paper.     

对密立根油滴实验的测量方法改进

利用对密立根油滴实验的改进解出了实验操作过程中的各种问题,提高学生的实验兴趣和理论联系实际的能力.     

Cosmological evolution of quintessence and phantom with a new type of interaction in dark sector

In the present work, motivated by the work of Cai and Su [Phys. Rev. D 81 (2010) 103514], we propose a new type of interaction in dark sector, which can change its sign when our universe changes from deceleration to acceleration. We consider the cosmological evolution of quintessence and phantom with this type of interaction, and find that there are some scaling attractors which can help to alleviate the cosmological coincidence problem. Our results also show that this new type of interaction can bring new features to cosmology.