Abstract: The formation of Cu film on Fe (001) surface by depositing Cu₁₃ clusters was investigated via the molecular dynamics simulation. The incident energy range of Cu₁₃ clusters was from 0.1 to 10.0 eV/atom, and the deposition rate was 1 clusters/ps. The temperature of substrate was 300, 700 and 1 000 K, respectively. The effects of incident energy of cluster and substrate temperature on the growth mode, surface roughness, defects distribution and epitaxy degree of film were studied. The simulation results show that the incident energy of Cu₁₃ clusters plays a dominant role in the growth mode of film. In addition, when the incident energy of Cu₁₃ clusters is 7.5 eV/atom and the substrate temperature is 300 K, the Cu film formed on Fe(001) surface is smoother, few defects and better epitaxy degree.