Iron particle on alumina surface

Dear,
I would like to simulate contact angle variation of iron particle on alumina ceramic.but i in my process iron particles spread out ?how to solve this problem.
in.FeAl22.lmp (2.4 KB)

Check your force field. Has it been verified for this kind of system?

I referred force feilds value according to this paper.(l/J).
Synergistic lubrication effect of Al2O3 and MoS2 nanoparticles confined between iron surfaces: a molecular dynamics study

AlFe.eam (2.2 MB)
Al.eam (36.1 KB)
Fe.eam (1.5 MB)

The paper is rather vague and I don’t believe the model is accurate.
The Aluminium modeled by EAM is metallic Aluminium which is quite different from Aluminium cations in Alumina, i.e. Al2O3. You need a different potential for that and using pair style hybrid to combine UFF for oxygen with EAM for aluminium is bogus and will not work well. In addition you Lennard-Jones cutoff of 2 angstrom makes no sense.

There are much better potentials in then literature.

Thank you sir