Depth profiling by cluster projectiles as seen by computer simulations

Molecular dynamics computer simulations are used to probe the development of the surface morphology and the processes that determine the depth resolution in depth profiling experiments performed by secondary ion and neutral mass spectrometry (SIMS/SNMS). The Ag(111) surface is irradiated by an impact of 20-keV Au₃, C₆₀ and Ar₈₇₂ clusters that represent a broad range of cluster projectiles used in SIMS/SNMS experiments. Improvements in the simulation protocol including automation and optimal sample shape allow for at least 1000 consecutive impacts for each set of initial conditions. This novel approach allows to shrink the gap between single-impact simulations and real experiments in which numerous impacts are used.