Using molecular dynamics and an n-body potential adapted to copper a study was made of the self-diffusion of Cu adatoms on Cu(001) surface (table 12). The simulations covered the range of 700 to 1100K. Besides the simple hopping and the exchange mechanism, the detailed trajectory analysis revealed multiple hopping events and complicated multi-particle exchange processes, involving several atoms that did not necessarily belong to the same nearest-neighbor row. These processes exhibited Arrhenius behavior, from which was derived the migration energies associated with each process. It was found that the hopping mechanism required an energy of 0.43eV, in very good agreement with available experimental data, while the energy associated with the exchange mechanism was 0.70eV. These results were in qualitative agreement with ab initio calculations. In addition, it was found that all mechanisms, even the most complicated, required about the same migration energy with the simple exchange and that above 900K they contributed almost equally to the total diffusion. Furthermore, the activation barriers for the hopping and the exchange mechanism deduced from energy minimizations, at T = 0K, compared well with the simulation values.Adatom Self-Diffusion Processes on (001) Copper Surface by Molecular Dynamics. Evangelakis, G.A., Papanicolaou, N.I.: Surface Science, 1996, 347[3], 376-86