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

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1

Dear Bin Shen and Steve and all other lammps users
thank you for your reply, I just guess whether there is some relationship between tersoff potential and “lost atoms” error, Now I got some reply said there is no relation.

Yes, with a smaller timestep and velocity there will be no “lost atoms error” but I want to do is the simulation of failure , so even with smaller timestep and velocity, but

with a long enough time under tension, there will be also "lost atoms "error. right ?

newer to lammps, not familiar, and I don’t know what’s the next step.
thank all and I will keep improving.

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If you set the "boundary" command correctly and run a simulation
you should never get lost atoms, unless you expect atoms to
fly or drift out of your simulation box and that's OK. But setting
"boundary" to "s" will track even those. If you lost atoms
b/c something moves far outside your simulation box in one
step, then something else is badly wrong.

Steve