Based on lattice Boltzmann method(LBM), the process of droplets merging and bouncing at the top of inclined plane with wetting gradient was simulated. The effects of wetting gradient, wettability at the top of inclined plane, droplet size and Bond number on droplet merging and bouncing process were investigated. The calculation results show that the two droplets can bounce when merged under the action of non-equilibrium tension on a hydrophobic gradient slope. Both the droplet fusion velocity and the maximum jump height increase with the increase of wetting gradient. The maximum droplet jump height decreases with the increase of the wettability of the inclined surface. There is an optimal droplet size that optimizes the maximum jump height. The larger the Bond number, the smaller the maximum droplet jump height.

A lattice Boltzmann method based on Shan-Chen pseudo-potential model was used to simulate the process of a droplet overcoming gravity and moving upward on a inclined plane with wetting gradient. Effects of wetting gradient, droplet size, Bond number and surface inclination angle on droplet motion were investigated. It shows that velocity vector appears in the droplet moving upwards along the slope. The greater the wetting gradient is, the faster the droplet moves, and the longer the wetting length is, and the faster the dynamic contact angle decreases. Droplet size and Bond number have weak influence on droplet motion, but there is a critical Bond number, beyond which the droplet moves down along the gradient wetting surface. The surface inclination angle has a significant effect on the droplet motion. As the inclination angle increases, the droplet motion speed and wetting length are significantly reduced.

A single-component multi-phase pseudo-potential lattice Boltzmann method is used to simulate the process of a large droplet vertically hitting a stationary small droplet on a wall with different wettability. The size ratio of the droplets is 1.5. Hydrophilic and superhydrophobic wall surfaces are studied. The droplet spreading factor and relative height are obtained. It shows that as We number increases the spreading factor of the droplet increases, the spreading diameter increases and the relative height reduces. And as We number increases, on a superhydrophobic surface, a cavity appears at the bottom of the spreading process and size of the cavity increases. In addition, as We number increases to 107.35 the droplet breaks.

In a moving hot zone model with uniform temperature and an infinite temperature gradient under directional annealing, effect of second-phase particles (SPPs) on growth of columnar grain microstructure in polycrystalline materials was studied with phase field method. It shows that SPPs inhibit formation of columnar grain structure and inhibitory effect increases with increasing volume fraction of SPPs and decreasing size of SPPs. Effect of SPPs on final grain radius follows Zener relation under condition of directional annealing. Volume fraction of SPPs and their dispersive distribution at grain boundaries in materials should be reduced as far as possible to obtain better columnar grain structures during directional annealing.

Geometrical structures, stability, electronic properties, vibrational spectrum and polarizations of BeSi_n(n=1-12) clusters are investigated with density functional theory (DFT) at B3LYP/6-311G level. It indicates that there are many isomers with extremely close energies near the ground state. The most stable structures of BeSi_n clusters favor three-dimensional structures as n≥4. At n=1 spin multiplicity of the ground state structure of BeSi_n cluster is triplet while it is singlet as n≥2. Electronic properties of host clusters change obviously due to encapsulation of Be atom. Doping of Be atom reduce chemical stability of pure Si clusters, n=3, 5, 7 and 9 are magic numbers.