The crystallization, corresponding to the fcc structure (with packing density p≈ 0.74), of smooth equal hard spheres under batch-wised feeding and three-dimensional interval vibration is numerically obtained by using the discrete element method. The numerical experiment shows that the ordered packing can be realized by proper control of the dynamic parameters such as batch of each feeding ξ and vibration amplitude A. The radial distribution function and force network are used to characterize the ordered structure. The defect formed during vibrated packing is characterized as well. The results in our work fill the gap of getting packing density between random close packing and fcc packing in phase diagram which provides an effective way of theoretically investigating the complex process and mechanism of hard sphere crystallization and its dynamics.

This paper presents a study of the structural transition of the packing of uniform spheres with a wide range of packing fractions. Several critical states are identified including the onset of local jamming, onset of global jamming and maximally random jammed (MRJ) states. With the increase of packing fraction , the packing structure transforms from one-dimensional chains to two-dimensional triangles and finally three-dimensional tetrahedra, correspondingly undergoing phase changes from non-jamming to local jamming, global jamming, MRJ and finally crystal structure. There is a competition between FCC (face-centred cubic) and HCP (hexagonal closed packed) in the transition from disordered to ordered structure with the increase of . HCP can transform to FCC after reaching its maximum at =0.7

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.