Molecular dynamics (MD) simulation study of the liquid phase of small fullerene cluster (C60)7

We have simulated (MD method) the dynamics of fullerenes (C60) in extremely small cluster composed of only seven C60 molecules. The interaction is taken to be the full 60-site pairwise additive Lennard-Jones (LJ) potential, which generates both translational and anisotropic rotational motions of each molecule. Our atomically detailed MD simulations confirm the existence of the liquid phase in (C60)7 cluster. For the liquid phase of (C60)7, we have calculated the mean square displacement of C60, the linear velocity autocorrelation functions and the value of the translational diffusion coefficient of fullerene