[lammps-users] AIREBO potential - deleting the bond interactions

Dear lammps user,

I am interested in a simulation which contains 2 carbon nanotubes located one after the other. The ends of the nanotubes (facing each other) are fixed by using set_force = 0 command. I would like to prevent the nanotubes for interacting with each other. i.e. if I apply a 5 N load to the first nanotube, the sum of all the carbon nanotube atoms + the reaction at the fixed boundary should be 5 N for the 1st nanotube and 0 for the second one.

Does anyone know how I can achieve this in LAMMPS?


Huck Beng

I don't understand what you want to do, but if you want
to have on interactions between atoms in the 1st tube
with atoms in the 2nd tube, then I think you could make
them different atom types and use
the neigh_modify exclude type command (or other variants
as well), and the neigh list will not include those interactions.
I know that would work for pairwise; I think it would also
work for AIREBO.