reax and ffiled.reax.lg

Hi ,

I am a Lammps user from China, I have two questions want to consult you.One, are there the information of the silicon-oxygen in ffield.reax in the version which have released before LAMMPS 12 ? Two, you added the information of the silicon-oxygen in the ffield.reax.lg in the version LAMMPS 12, can we use these parameters to get amorphous silica? Are these parameters universal? Can you give me some advice?
Best regards,
Liu qingsong

Hi Qingsong,
Comments and replies below.
Best,
Ray

Hi ,
I am a Lammps user from China, I have two questions want to consult you.One,
are there the information of the silicon-oxygen in ffield.reax in the
version which have released before LAMMPS 12 ? Two, you added the

What is "LAMMPS 12"? In the current distribution I see only
"ffield.reax.* ", but not "ffield.reax"

For a Si-O ReaxFF potential, you can ask Prof. Adri van Duin at Penn
St. ([email protected]...), who is the main author, developer and keeper of
ReaxFF potential parameterizations.

information of the silicon-oxygen in the ffield.reax.lg in the version
LAMMPS 12, can we use these parameters to get amorphous silica? Are these

This specific parameterization was developed for nitramines, but I am
not sure how it performs for Si-O interactions. Dr. Sergey Zybin at
CalTech ([email protected]...) developed this parameterization. It
would be best if you consult him.