A computer simulation study of self-diffusions along the cores of four different Shockley partial dislocations was carried out for face-centered cubic C60 crystals. The spherical intermolecular potential derived by Girifalco was used. Computations showed that in the case of a monovacancy mechanism, migration energy along the dislocation core was lowered to 2.6eV from 6eV in the perfect crystal, at maximum. For a divacancy mechanism, it was lowered to 1.8eV from 2.6eV in the perfect crystal, at maximum.

Computer Simulation of Self-Diffusion along Dislocations in C60 Crystals. Hayashi, H., Tamaki, S., Ide, N., Okada, I., Kojima, K.: Japanese Journal of Applied Physics – 1, 2002, 41[11], 6486-7