Liquid phase exfoliation of graphene: insights from molecular dynamics simulations

It is possible to use a sheared liquid to exfoliate multilayer graphene particles. The exfoliation occurs when the shear forces are larger than the forces of adhesion between the graphene layers. The threshold for the shear rate can be predicted, and compares well with molecular dynamics results, see our publication : https://aip.scitation.org/doi/10.1063...

Video details: a nanoparticle of graphene is immersed in water, and a linear shear is imposed using to moving walls. The simulation is made using LAMMPS, the visualisation using VMD.

The code is available here: https://github.com/simongravelle

LAMMPS tutorials: https://lammpstutorials.github.io​
My personal webpage: https://simongravelle.github.io/

This project has received funding from the European Research Council (ERC) under the European Union’s Horizon 2020 research and innovation programme (Grant agreement No. 715475).