Molecular Dynamics Study of Ballistic Rearrangement of Surface Atoms during High Energy Ion Bombardment on Pd (001) Surface

SP Kim and KR Lee, NSTI NANOTECH 2008, VOL 1, TECHNICAL PROCEEDINGS: MATERIALS, FABRICATION, PARTICLES, AND CHARACTERIZATION, 495-+ (2008).

Atomic behavior during ion bombardment was investigated by using three dimensional classical molecular dynamics (MD) simulation. It was observed that significant amount of surface atoms were rearranged when Ar ions bombarded the Pd (001) surface in addition to the erosion of surface atoms. Quantitative analysis showed that the rearranged atoms are three times as many as sputtered atoms regardless to the energy and angle of incidence ions. Contrary to the conventional concepts which describe the surface structure evolution based on the erosion theory, the rearranged atoms were turned out to play a significant role in forming the surface morphology as shown in the simulated surface morphology by the bombardment of many Ar ions.

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