Nonlinear macroscopic motion of single walled carbon nanotubes with internal heat diffusion from coarse-grained model

The nonlinear macroscopic motion of single walled carbon nanotubes (SWCNT) is depicted precisely using simple beads system. The motion is in the free thermal vibration condition so that it is supposed to be in the reversible state as which has been published in 2015 [Koh et al., PRB 92 (2015) 024306]. The nonlinear dynamic characteristics from the various scale of simple beads systems are examined with expanding its time step and node length simultaneously. The internal heat diffusion related to the cross correlated momentum from different potential energy functions is considered, and it stabilizes the motion of coarse-grained molecular dynamics (CGMD) simulation with a good one-side compatibility from the MD simulation. We demonstrate that even the most simplified version of molecular modeling can maintain finite temperature with well-defined random potential energy function which can consider cross correlated states and it can reproduce the nonlinear dynamic nature of SWCNTs. This replication with good precision indicates that the internal heat diffusion process is the part of essential causality of the nonlinearity.