Jump to main content
Jump to site search

Issue 17, 2001
Previous Article Next Article

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

Author affiliations

Abstract

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

Back to tab navigation

Publication details

The article was received on 09 May 2001, accepted on 03 Jul 2001 and first published on 07 Aug 2001


Article type: Paper
DOI: 10.1039/B104064M
Phys. Chem. Chem. Phys., 2001,3, 3667-3671

  •   Request permissions

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

    A. Tomsic, N. Marković and J. B. C. Pettersson, Phys. Chem. Chem. Phys., 2001, 3, 3667
    DOI: 10.1039/B104064M

Search articles by author

Spotlight

Advertisements