About the Tersoff-Brenner potential

Dear all ,
I want to use the Tersoff-Brenner potential to simulate the crack propagation of graphene sheet. But there is no Tersoff-Brenner potential document in Lammps code. Does anyone can supply the code to me ? Or can you teach me a solution to solve it ?
Many thanks for your reply .

2014-11-13 3:22 GMT+01:00 liukui <[email protected]>:

Dear all ,
     I want to use the Tersoff-Brenner potential to simulate the crack
propagation of graphene sheet. But there is no Tersoff-Brenner
potential document in Lammps code. Does anyone can supply the code to me ?
Or can you teach me a solution to solve it ?

Lammps supports the Tersoff potential (in fact, a superset of the original
Tersoff potential, so that the potential form due to Albe et al. is also
supported) and the second gneration Brenner/REBO potential. It does not
support the Brenner 1990 potential AFAIK.

Kristof

There;s a REBO (Brenner) potential and a Tersoff

potential in LAMMPS. If T/B is something different
that can’t be done by combining the two (e.g. pair hybrid),
then you’ll have to code it yourself. That’s how
every pair style in LAMMPS was added in the first place.

Steve