Z.Y. Man

The rebounding of C60 on graphite surface: a molecular dynamics simulation

Abstract Molecular dynamics simulations have been performed for the collision of C 60 with a graphite (0001) surface utilizing a two-and three-body interatomic C potential and an interlayer potential for graphite. At an impact energy of 90 eV, the C 60 deforms severely and then returns to its orginal structure and rebounds without dissociation. The calculated final center-of-mass kinetic energy of the rebounding C 60 is about 5 eV, which is in good agreement with experimental results.

Enhanced atomic mobility in pulsed laser deposition of Cu films

Abstract The growth of Cu films by pulsed laser deposition (PLD) is studied with molecular dynamics simulations. We focus on examining the effects of high momentary deposition rate and energetic particle impact in the PLD process. Simulations show that these two factors can promote surface atomic mobility and lead to 2D smooth growth of films at lower substrate temperature. These features are consistent with experiments.

Investigation of low-energy carbon cluster depositions on surfaces by a molecular dynamics simulation

Abstract The dynamic behavior of C 20 adsorption on a silicon (001)-(2×1) surface, and C 28 adsorption on a diamond (001)-(2×1) surface were investigated by a molecular dynamics simulation. The impact energies of clusters ranged from 0.2 to 5 eV/atom. After impacting, the fullerenes were found to move collectively in the plane, perpendicular to the incident direction. The lateral motion of clusters is dependent on its impact energy, the anisotropic structure of the cluster, and the surface. By the end of the simulation (∼3 ps), they reside either on the top of a dimer or in the trough of the reconstructed surface, which are energy-favored sites. It has been found that in a certain energy range, the adsorbed fullerenes can retain their original free cluster structure.