Hello everyone, I am looking for a reliable interatomic potential (for use in LAMMPS or similar) to simulate sintering of Ni clusters supported on either alumina (Al₂O₃) or silica (SiO₂).
Specifically, I need a potential that can reliably simulate: Adsorption geometry and energy of Ni clusters on the support at low temperature. High-temperature sintering (diffusion, coalescence) of the clusters.
Has anyone used or developed a potential for Ni/Al₂O₃ or Ni/SiO₂ that works for sintering? Any suggestions for mixing potentials (e.g., EAM + Buckingham) or recommended ReaxFF parameters? Are there known interface or charge issues I should be aware of? Any guidance, references, or shared files would be greatly appreciated! Thanks in advance.