Journal of Chemical Physics, Vol.111, No.16, 7583-7592, 1999
Cluster-surface collisions: Characteristics of Xe-55- and C-20-Si[111] surface bombardment
Molecular dynamics (MD) simulations are performed to study the cluster-surface collision processes. Two types of clusters, Xe-55 and C-20 are used as case studies of materials with very different properties. In studies of Xe-55-Si[111] surface bombardment, two initial velocities, 5.0 and 10.0 km/s (normal to the surface) are chosen to investigate the dynamical consequences of the initial energy or velocity in the cluster-surface impact. A transition in the speed of kinetic energy propagation, from subsonic velocities to supersonic velocities, is observed. Energy transfer, from cluster translational motion to the substrate, occurs at an extremely fast rate that increases as the incident velocity increases. Local melting and amorphous layer formation in the surfaces are found via energetic analysis of individual silicon atoms. For C-20, the initial velocity ranges from 10 to 100 km/s. The clusters are damaged immediately upon impact. Similar to Xe-55, increase in the potential energy is larger than the increase in internal kinetic energy. However, the patterns of energy distribution are different for the two types of clusters. The energy transfer from the carbon clusters to Si(111) surface is found to be slower than that found in the Xe clusters. Fragmentation of the carbon cluster occurs when the initial velocity is greater than 30 km/s. At 10 km/s, the clusters show recrystallization at later times. The average penetration depth displays a nonlinear dependence on the initial velocity. Disturbance in the surface caused by C-20 is discussed and compared to the damage caused by Xe-55. Energetics, structures, and dynamics of these systems are fully analyzed and characterized.