Molecular dynamics simulations of the micro-solvation of ions and molecules during cluster–surface collisions

We present molecular dynamics simulations of the disintegration of neat and Na+ doped (H2O)1032 clusters induced by a surface collision at velocities of 1.75 and 2.91 km/s. The incorporated ion acts as a spectator to the collision and ends up in one of the largest cluster fragments. The micro-solvation shell of the Na+ ion is exchanged during the collision even in the low velocity case where large portions of the cluster survive. Two different regimes can be discriminated in the micro-solvation dynamics, an impact-driven exchange initially and a diffusion channel evolving during the evaporative stabilization of impact heated cluster fragments.