Dynamics of cyanoadamantane molecules confined in the space between carbon nanotubes: MD study

Results of molecular dynamics (MD) simulation are presented for cyanoadamantane molecules embedded in the space between two surfaces composed of single-wall nanotubes. The dynamics of the simulated system has been investigated by inspecting plots of the translational velocity autocorrelation functions. The temperature dependences of order parameter, total dipole moment and rotational autocorrelation functions have been analyzed as indicators of phase transitions.