Influence of the internal degrees of freedom of coronene molecules on the nonlinear dynamics of a columnar chain.

Abstract

The nonlinear dynamics of a one-dimensional molecular crystal in the form of a chain of planar coronene molecules is analyzed. Using molecular dynamics, it is shown that a chain of coronene molecules supports acoustic solitons, rotobreathers, and discrete breathers. An increase in the size of planar molecules in a chain leads to an increase in the number of internal degrees of freedom. This results in an increase in the rate of emission of phonons from spatially localized nonlinear excitations and a decrease in their lifetime. Presented results contribute to the understanding of the effect of the rotational and internal vibrational modes of molecules on the nonlinear dynamics of molecular crystals.