A study was made of systematically the dimer diffusion on metal face-centered cubic (001) surfaces through molecular dynamics calculations based on embedded atom method. Besides the conventional hopping and exchange mechanisms, some other interesting diffusion mechanisms were observed, such as the exchange rotation mechanism, the cooperative hopping mechanism, and the cooperative exchange mechanism. On the different kinds of metal surfaces, it was found that not only the dominant diffusion mechanism but also the physical model for the exchange mechanism was different.

Simulation of Dimer Diffusion on Metal FCC (001) Surfaces by Molecular Dynamics. Liu, Q., Zhuang, J.: Science in China E, 2004, 47[1], 51-60