IUVSTA 15th International Vacuum Congress (IVC-15), AVS 48th International Symposium (AVS-48), 11th International Conference on Solid Surfaces (ICSS-11)
    Surface Science Thursday Sessions
       Session SS2-ThA

Paper SS2-ThA6
Molecular Dynamics Simulations of Thin Film Nucleation through Molecular Cluster Beam Deposition: Effect of Incident Angle

Thursday, November 1, 2001, 3:40 pm, Room 122

Session: Nucleation & Growth
Presenter: Y. Hu, The University of Kentucky
Authors: Y. Hu, The University of Kentucky
S.B. Sinnott, The University of Florida
Correspondent: Click to Email

Deposition of organic cluster beams on surfaces leads to the creation of polymeric thin films through rapid chemical reactions. These reactions occur over timescales on the order of a few picoseconds and therefore are suitable for study by molecular dynamics. Besides such factors as incident energy and cluster size, the deposition angle is believed to have important effects on the nucleation of thin films grown through molecular, ionic and cluster beam deposition. In this work, angular effects on molecular organic beam deposition are studied extensively through classical molecular dynamics simulations. The reactive empirical bond potential developed by Brenner et al.@footnote 1@ is used in this simulation. Various organic cluster beams are deposited on the hydrogen terminated diamond (111) surface at room temperature. The beam impacts the surface along different crystallographic orientations at incident angles of 0°, 15°, 45° and 60° with respect to the normal to the surface. Two beam energies are considered: one corresponding to 25eV/cluster molecule and one corresponding to 50eV/cluster molecule. As the angle increases from the normal, the amount of energy deposited along the surface normal decreases. Therefore we have also considered cases where the energy normal to the surface is constant while the total energy varies. The results show the dependence of the angle effects on the crystallographic orientations, the incident energies and the reactivity of the impacting species. This work is supported by the National Science Foundation (CHE-9708047). @FootnoteText@ @footnote 1@S.B.Sinnott, L.Qi, O.A.Shenderova, D.W.Brenner, in Chaper 1 Volume 4 of Advances in Classical Trajectory Methods, Molecular Dynamics of Clusters, Surfaces, Liquids, and Interfaces, Ed. W. Hase(JAI Press, Inc. Stamford, CT, 1999), p. 1-26.