Molecular-dynamics simulations were used to study the diffusion of a short single model carbonic chain on the graphite (001) surface. The calculated diffusion coefficient first increased, then decreased with increasing chain length, N. This abnormal behavior was similar to polymer lateral diffusion at the solid-liquid interface. Furthermore, the relationship between the mean-square gyration radius and N was studied.

A Molecular-Dynamics Simulation Study of Diffusion of a Single Model Carbonic Chain on a Graphite (001) Surface. Yang, H., Lu, Z.Y., Li, Z.S., Sun, C.C.: Journal of Molecular Modeling, 2006, 12[4], 432-5