Flowfield in a constant area isolator is numerically simulated with coupled double distribution function lattice Boltzmann method(LBM).Numerical results reflect general structure of flow field which means that LBM is a potential computational fluid dynamics method.

In uniform external electric field, CO molecules adsorbed on the surface of nonocones that grow on a transition metal substrate are modeled as equivalent dipoles.Mathematical models are given with consideration of three interactions,i.e.,interaction between dipoles and local electric field,dispersion interaction between dipoles and dipoles,as well as interaction between dipoles and atoms of nanocone surface.Spatial distribution of CO molecules adsorbed on nanocone surfaces is obtained by Monte-Carlo method.It shows that the CO molecules adsorbed on nanocone surfaces agglomerate locally with these interactions,and molecules adsorbed on top of the nanocone become dense with a decrease of conical angle of nanocone.It results in more powerful interaction among molecules.It may provide an explanation for abnormal infrared effects(AIREs) observed as CO molecules adsorbed on nanostructured transition metal surfaces.

A simplified off-lattice model of protein is studied with a PSO algorithm.Interaction between atoms is represented by a physical-based potential.The protein's RMSD value between computed and experimental structures is 6.12Å in optimizing the potential in global space. The protein total energy and radius of gyration at PSO steps and the relation between minimum energy and corresponding RMSD value are investigated.It shows basic characteristics of protein folding.

The current voltage characterization of a standard double barrier tunneling junctions (DBTJ) which forms room temperature single electron devices is computed by means of time-dependent Schrödinger equation.For Au nanoparticles self assembly systems at room temperature it is simulated by wave packet evolution method.It is found that the simulated results are in good agreement with the experimental ones.This numerical method is proved to be of importance for the experiment and realization of the nanostructure devices.

A computational formula of the theoretical curve for the curve fitting of well testing material of infinite naturally fractured reservoir is proposed. The double error control method and the logarithm searching method are used to seek the theoretical curve. A lot of experiments show that this method is with high precision and rapid calculating speed.