Hi, Dear All
It is a common to use particular/modified EAM potentials for specific materials rather than the universal one. I wonder whether and how we integrate those EAM-type potentials into LAMMPS ? In my case I'd like to implement Sutton-Chen potential, which has explicit equation and quite few parameters. Is it possible to use it in LAMMPS? Thanks.
Regards,
Pengxiang
The EAM potentials LAMMPS uses are tabulated in files,
so in principal you can use any functional form for any
material, tabulate it, and read it in from a file. The
pair_style eam doc page lists some WWW sites that
have EAM files for different materials in the right
format, or you could convert them.
It you want an analytic EAM form (e.g. Sutton/Chen),
you could implement it, e.g. as pair_style eam/suttonchen
and hard code the formulas. This is not hard to do;
most pair potentials in LAMMPS are in that mode.
Start with a doc page thta defines the needed inputs
and code up the formulas and send it to me. It would
then be easy to make a new pair style file.
Steve