the questions about AIREBO potential

Respond inline.


Dear ray,
I’m a student of the Chongqing University in China.I am writing to see if it is possible for you to provide me
with information regarding the AIREBO potential.
I’m studying the amorphous polyethylene friction through MD simulation. And the initial configurations of amorphous polyethylene structure is constructed following the procedure used by the commercial Materials
Studio software.Then I want to do the dynamics simulation with the LAMMPS. So I want to ask two questions!
Firstly, can we take the the AIREBO potential to do this dynamics simulation in the LAMMPS?

First search the Literature and see if the AIREBO potential is good for amorphous PE and the problem you care about. If you cannot find one, then you have to verify it by yourself.

Secondly, is it possible to perform an energy minimization of the any system in the LAMMPS?

Yes, please consult the doc page.