Computer simulation of core structure and stress field of edge dislocations in C-60 crystals using Girifalco potential

The equilibrium molecular configuration around a 1/2[10 (1) over bar](111) edge dislocation in ice C-60 crystals was calculated using molecular dynami cs with the Girifalco potential. The dislocation was found to dissociate in to two Shockley partials. The core of the partial dislocation was wider tha n that of the screw dislocation and its width was 17.5 times the Burgers ve ctor. The compressive stress at the core reached 0.74 GPa at maximum. The e xtent of redshift of photoluminescence spectra was estimated.