Carbon nanotube via LAMMPS code

LAMMPS LAMMPS General Discussion
1

I can make graphene sheet by LAMMPS code. Can anyone give me any idea how to manipulate “Graphene code” to generate carbon nanotube by LAMMPS.
I tried to make solid graphene cylinder and then delete atoms to make CNT. But results were not that good.
Regards.

2

I woudn’t use LAMMPS for that, but rather VMD + topotool. The protocol for creating a single carbon nanotube is described here. In short:

  • Open VMD, go to Extensions, Modeling, and then Nanotube Builder.
  • Click on Generate Nanotube.

Then to make the LAMMPS data file, type:

topo writelammpsdata cnt_molecular.data molecular

in the VMD terminal, where molecular corresponds to the LAMMPS atom_style you want.

Simon

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3

Hey Shafayet,

Can you share LAMMPS code or tutorial link to generate the graphene sheet

4

in.g.lmp (1.4 KB)

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