Molecular dynamics simulations of cluster–surface collisions: Mechanisms for monomer emission

摘要: Molecular dynamics simulations of (H2O)4094-clusters impacting with a velocity 470 ms−1 in the normal direction on graphite surface kept at 1400 K were performed. The aim was to clarify behavior water molecules and other small fragments emitted during collision event. results agree well previous experimental studies thermokinetic model for evaporation cluster scattering. About 80% evaporating molecules come close contact hot surface, their translational degrees freedom are partly accommodated temperature surface, especially direction plane, leading high this direction. stress importance energy transfer from cluster explain high temperature determined angular distributions.