[lammps-users] about potential

Hi, everyone

I wonder if there are some one do irradiation research. There is only
tersoff/zbl potential that can deal with the ion radiation problem.
How do you deal with the other potentials between the incident ion and
the sample atoms? Thank you very much.

If you need a potential that isn't in LAMMPS, you''ll
need to implement it. LAMMPS is designed to make
that relatively easy to do.


Sorry, I think I don't make my question clear. What I mean is that
when we do radiation simulations, most potentials have problems when
the distance of atoms is less than 0.1nm, and we have to use ZBL
potential to join with these potentials just like tersoff/zbl. Can I
do it once that suitable for every potential? What can I do? Thank

Tersoff/zbl has its formulas encoded inside the pair style.
If you want modified formulas for some other pair style,
you will have to write code. If it's a true pair style (I,J interaction
only), which Tersoff is not (many-body), then you can
also use pair table which means you can tabulate the energy/force
as a function of distance and input it as a file. Some people
use Buckingham this way at high temperatures by splining
on a short-range repulsion and inputting it as a table.


ok, I will try it. Thank you very much.