Bond breaking/formation in AIREBO/REBO potential (Alex J)

LAMMPS LAMMPS Mailing List Mirror
1

Hi Alex,

I think there is no option to switch off bond formation.
If you want to observe bond breaking then why not do tensile simulations of
CNT or graphene.

Thanks,
Sanjib

2

Hi Sanjib,

Thanks very much for the reply.

I am actually doing tensile test, but I have see some generation of crosslinking.