The deposition and the diffusion behaviors of Al atoms on Cu surfaces of various orientations were investigated by using classical molecular dynamics simulations and molecular static calculations. Atoms of Al with a kinetic energy of 0.1eV were deposited at room temperature. On the Cu(001) surface, the deposited Al atoms tended to agglomerate only with adjacent atoms. In the case of the Cu(111) surface, surface diffusion of Al atoms was significant even as a time scale between two consecutive depositions (5ps). Most deposited atoms are, thus, agglomerated near the surface step. In contrast, Al atoms deposited on Cu(011) hardly diffused on the surfaces but intermix with the Cu atoms, resulting in an atomistically rough interface. These behaviors were consistent with changes in the activation barrier for a possible kinetic process that depended on the orientation of the substrate.A Molecular Dynamics Study of the Deposition and the Diffusion Behaviors of Al on a Cu Surface. Kim, S.P., Lee, K.R., Chung, Y.C., Kim, Y.K., Doi, M., Sahashi, M.: Journal of the Korean Physical Society, 2008, 52[4], 1241-5