[lammps-users] [SPAM] metal-oxide potential

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1

I want to do the calculation about Ni depoisted on Al2O3 substarte.

Can I calculate about this system in LAMMPS?

Actually, in order to calculate for metal-oxide system, it was reported that ES+EAM potential by Streitz-Minimire can be applied better than other potential.

As far as know, ES+EAM potentail is not generated in LAMMPS.

So, what’s the best choice for potential to calculate about metal-oxide systems in LAMMPS?

2

My recollection is that Stretz-Minzmire requires charge equilibration
which is not in LAMMPS. But it will be in the new year when we
release ReaxFF. Then someone could implement S-M.

Steve