Molecular Dynamics Simulation of Chemical Sputtering

POSTER

Abstract

We study chemical sputtering by D and D$_{2}(\upsilon )$ at deuterated amorphous carbon surface. The dynamics of the surface characteristics is a function of the initial surface and the cumulative effect of the projectiles. We study evolution of the spectrum of the sputtered particles, hydrocarbons, in search for the steady ``state'' sputtering yield. The comparison of the steady yields of atoms vs. molecular projectiles in various vibrationally excited states enables interpretation of the ORNL experimental results.

*Work sponsored by the National Science Foundation (CHE-0239448) and Offices of Fusion Energy and Basic Energy Sciences of U.S. DOE under contract No. DEACO5-00OR22725 with UT Battelle, LLC.

Authors

  • S.J. Stuart

    • Department of Chemistry, Clemson University, SC
  • P.S. Krstic

    • Physics Division, ORNL
    • ORNL
  • C.O. Reinhold

    • Oak Ridge National Laboratory
    • Physics Division, ORNL