Simulation of molecular dynamics of proton impacts on water ice clusters

Details Simulation of molecular dynamics of proton impacts on water ice clusters Simulation of molecular dynamics of proton impacts on water ice clusters

Jan 1999

adsabs.harvard.edu/cgi-bin/nph-data_query?bibcode=1999adspr..23.1235o&link_type=abstract

Advances in Space Research, Volume 23, Issue 7, p. 1235-1238.

Computer Science

1

Scientific paper

Beyond 2 ~ 3 AU from the Sun, the sputtering by solar wind particles and/or planetary ring particles becomes dominant in the mass loss processes for water-ice grains, compared with the sublimation, and consequently it controls the lifetime of interplanetary dust grains consisting of volatile material. Unfortunately, a lack of sufficient laboratory measurements of sputtering yields of water-ice prevents us from analyzing the behavior of icy grains in such a low temperature region. By using the computer simulation for sputtering processes based on Molecular Dynamics we have estimated the sputtering efficiency of amorphous water-ice cluster consisting of 100 H2O molecules by proton impacts with energies from 0.00084 eV to 840 eV. In this simulation, we employ the polarization model (Stillinger and David (1978), Stillinger (1979)) for a water molecule. The standard time step is set to 0.001 fs (1 fs = 10-15 sec). Although the simulation time is too short to show the relaxation of the cluster, i.e. about 2 × 10-12 sec after the proton impact to the target, we estimate the proton-energy dependence of sputtering yields at low temperature.

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