Dear LAMMPS users,
I want to simulate a heterogeneous system consisting of a Ni-Pt nanoparticle supported on a γ-Al2O3 surface. Are there any suggestions what type of many-body potentials should I use? Should I use hybrid pair potentials? For now I am only using EAM for free NiPt nanoalloys. But when it comes to Al2O3 and metal-surface interactions, I cannot find any good potentials for this.
One thing I want to clarify is that I don’t necessarily expect the potential to be very accurate. The main purpose is to generate reasonable structures as the initial structures for DFT relaxations.