Dear lammps users,
I wonder if i can find ready to use in lammps potentials for
hydrogen, helium in metals like iron, palladium.
Thank you,
German Samolyuk
Dear lammps users,
I wonder if i can find ready to use in lammps potentials for
hydrogen, helium in metals like iron, palladium.
Thank you,
German Samolyuk
The EAM potentials were originally created to enable
good modeling of H in fcc metals (among other systems).
Don't know about He. Also iron is normally bcc (e,g, alpha phase)
so that is more problematic for EAM, but possibly MEAM could
do it. So check the EAM literature for H (possibly He) in metals,
and you should find several papers ...
Steve