[lammps-users] the different between tersoff and ai-rebo

Dear Steve and all other users,
I have simulation the failure of nanotube under tension, first I use tersoff potential, but it can only be stretched at a little strain with the error"lost atoms :origin ** current **" , the tersoff potential is a short-range potential ,can it simulate the failure of nanotube? and should I change to AI-REBO potential ,because it include the LJ potential which is a long-range potential,
thank you

Don't know enough about nanotubes to answer.


In my view, such error is not likely caused by tersoff potential if the system can be relaxed for an enough long time normally.

Maybe you should check the initial configuration data file or redo the simulations with smaller timestep and velocity values.