ReaxFF for SiO2

Dear Lammps Community,

I am planning to simulate deposition of SiO2 a spherical particle of dust on a Si surface using ReaxFF potential for Silicon and Silicon Oxide Systems. Does anybody have the potential file for ReaxFF for SiO2 in Lammps?

Thank you.
Best Regards,
Evgeniya

LAMMPS provides only the ReaxFF files in its potential

dir. The pair reax doc page explains who to contact

(Adri’s group) if you are looking for other ReaxFF parameterizations.

Steve

Hi,

take a look at the supporting info here: http://pubs.acs.org/doi/abs/10.1021/ja050980t

Oleg

26.05.2015, 16:49, "Evgeniya Volkova" <[email protected]...>:

Dear Steve and Oleg,

Thank you very much for the advice!

Kind Regards,
Evgeniya