Dear LAMMPS Users,
I am trying to use EAM potential for aluminum. There are 3 different eam files for Al in lammps potential directory.
alu9.eam, aljnp.eam and alvtr.eam. When I tried to use alu9.eam and alvtr.eam the lattice exploded immediately. I have tried eam potential for copper and nickel under similar conditions. They are working fine (Atleast lattice is not exploding). Does anyone have any idea about these potential? The potential defined for Al in coal.eam.alloy is working fine.
Thank you for your time. Any help is appreciated.
Rutuparna
I had a similar problem. It seems to work with the eam/alloy pair style and nialhjea.eam.alloy pair coeff. as well, and I use these for aluminum simulations.
-Mike Sellers, University at Buffalo
Narulkar, Rutuparna wrote:
alvtr is from Art Voter at LANL. You could look up the
original papers. Possibly they are designed to work with
a slightly different lattice constant. Also you might need
to expand the lattice constant if running at high T.
Steve