[lammps-users] ion collision with lammps

Yeah, No problem. I am not sure there is really a good way to account for the ion/electron interactions within LAMMPS - though perhaps some work with the coulomb interactions could help a bit.

I have done some work in LAMMPS using the ZBL screening function and a coulomb potential to help improve the close-separation interactions in my cascade damage simulations. I would be happy to share that if you think it would help, though it was a ZBL/Tersoff hybrid - but modifying it or using it to modify another potential in LAMMPS wouldn’t be too bad… but that would still really only handle the ion/ion & ion/nucleus interactions.

Hope that helps,