We present a numerical method capable of reproducing the densification process from the so-called random loose to dense packing of uniform spheres under vertical vibration. The effects of vibration amplitude and frequency are quantified, and the random close packing is shown to be achieved only if both parameters are properly controlled. Two densification mechanisms are identified: pushing filling by which the contact between spheres is maintained and jumping filling by which the contact between particles is periodically broken. In general, pushing filling occurs when the vibration intensity is low and jumping filling becomes dominant when the vibration intensity is high.

It is shown that by properly controlling vibrational and charging conditions, the transition from disordered to ordered, densest packing of particles can be obtained consistently. The method applies to both spherical and nonspherical particles. For spheres, face centered cubic packing with different orientations can be achieved by monitoring the vibration amplitude and frequency, and the structure of the bottom layer, in particular. The resultant force structures are ordered but do not necessarily correspond to the packing structures fully. The implications of the findings are also discussed.

Micro structures of equal sphere packing (ranging from loose to dense packing) generated numerically by discrete element method under different vibration conditions are characterized using Voronoi/Delaunay tessellation, which is applied on a wide range of packing densities. The analysis on micro properties such as the total perimeter, surface area, and the face number distribution of each Voronoi polyhedron, and the pore size distribution in each Voronoi/Delaunay subunit is systematically carried out. The results show that with the increasing density of sphere packing, the Voronoi/Delaunay pore size distribution is narrowed. That indicates large pores to be gradually substituted by small uniformed ones during densification. Meanwhile, the distributions of face number, total perimeter, and surface area of Voronoi polyhedra at high packing densities tend to be narrower and higher, which is in good agreement with those in random loose packing.

The growth of {100} oriented CVD (Chemical Vapor Deposition) diamond film under Joe-Badgwell-Hauge (J-B-H) model is simulated at atomic scale by using revised KMC (Kinetic Monte Carlo) method. The results show that: (1) under Joe's model, the growth mechanism from single carbon species is suitable for the growth of {100} oriented CVD diamond film in low temperature; (2) the deposition rate and surface roughness (Rq) under Joe's model are influenced intensively by temperature (Ts) and not evident bymass fraction w of atom chlorine; (3) the surface roughness increases with the deposition rate, i.e. the film quality becomes worse with elevated temperature, in agreement with Grujicic's prediction; (4) the simulation results cannot make sure the role of single carbon insertion.

The growth of {100}-oriented CVD diamond film under two modifications of J-B-H model at low substrate temperatures was simulated by using a revised KMC method at atomic scale. The results were compared both in Cl-containing systems and in C-H system as follows: (1) Substrate temperature can produce an important effect both on film deposition rate and on surface roughness; (2) Aomic Cl takes an active role for the growth of diamond film at low temperatures; (3) {100}-oriented diamond film cannot deposit under single carbon insertion mechanism, which disagrees with the predictions before; (4) The explanation of the exact role of atomic Cl is not provided in the simulation results.