Nanocar and Nanotruck dynamics by LAMMPS
Mofidi, S. M.; Nejat Pishkenari, H.; Ejtehadi, M. R.; Akimov, A. V. Locomotion of the C60-Based Nanomachines on Graphene Surfaces. Scientific Reports 2021, 11 (1), 2576. https://doi.org/10.1038/s41598-021-82280-7.
This project studies the surface motion of nanomachines on graphene substrates. We do this by comparing the results of all-atomic molecular dynamics in a variety of atomistic models. we study several effects that can control the dynamics of nanomachines on graphene surfaces:
- the role of substrate flexibility; we consider the motion of nanocars on single-layer graphene (SLG) and frozen layer graphene (FLG) surfaces.
- the role of the chassis flexibility. we choose two nanocars with four C60 wheels in each, but different in their chassis rigidity: the Nanocar and Nanotruck.
The animation of the simulations in variety of models are presented here. The input codes related to LAMMPS package simulation are on "LAMMPS_Codes" directory. The digital equivalent of the diagrams are on "Figures_Data" directory. The post-process codes with Matlab are on "Matlab_Codes" directory.