We have simulated (MD method) the nanosystem composed of only as little as seven endohedral fullerene K⁺@C₆₀ molecules. The interaction is taken to be the full site-site pairwise additive Lennard-Jones (LJ) potential, which generates both translational and anisotropic rotational motions of each endohedral fullerene. Our atomically detailed MD simulations allow to analyze the dynamics of the motion of K⁺@C₆₀ molecule inside the cluster. The radial distribution function, the mean square displacement, the translational velocity correlation functions and their Fourier transforms of endohedral fullerene have been calculated for several energies of the nanosystem studied.

1. FULLTEXT: MD study of the plastic and liquid phase of endohedral potassium ion fullerene cluster (K^{+}@C_{60})_{7}, Zip archive data, at least v2.0 to extract, 1.8MB

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