Looking for ReaxFF parameter file for SiO2/SiCN + H2O + O/N plasma surface activation

LAMMPS
1

Body:
Dear all,

I am preparing LAMMPS ReaxFF simulations for plasma-activated dielectric bonding.
The target systems are amorphous SiO2 and SiCN surfaces treated by O2/N2 plasma, followed by DI-water hydroxylation and annealing.

The required reactive elements are:
Si, O, H, N, C

Ar will be treated separately as a non-reactive physical impact particle, so Ar does not need to be included in the ReaxFF parameter file.

I found that several papers in the hybrid bonding/plasma activation field used ReaxFF, but they did not provide the exact ffield files. I am specifically trying to identify a suitable parameter file, possibly related to:

  • silica-water ReaxFF
  • CHONSSiNaFZr.ff
  • Rahnamoun & van Duin 2014
  • Fogarty silica-water ReaxFF

Could anyone advise whether there is a publicly available LAMMPS-compatible ReaxFF parameter file suitable for Si/O/H/N/C systems, or whether CHONSSiNaFZr.ff is accessible through any public repository?

I understand that element coverage alone is not sufficient, and I plan to validate the force field using quartz stability, amorphous SiO2 melt-quench, and SiO2-water surface tests before production simulations.

Thank you.

2

list of all reaxff potentials i found in literature:

and repo of potentials copy-pasted from supplementals of these journal articles:

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Thanks！