Molecular dynamics simulations of preferred orientations in the high temperature phase of C-60

Molecular dynamics simulations of the high temperature phase of C-60 have b een performed for different intermolecular potentials proposed previously f or the intermolecular interactions in solid C-60, i.e. the van der Waals (v dW) potential and two different bond charge models. In contrast to what has been previously inferred from a mean-field theory, bond charges do lead to a much better reproduction of the experimental results, including the pref erred orientations of the C60 molecule, than the vdW potential.