[lammps-users] (no subject)

Hi Vijay.

Is the Buckingham potential a bond-order potential … i.e. is it tuned to simulate reactions too (i.e. does the potential depend upon. If I remember right, the original poster of the query wanted a potential that simulates Si-O reaction.

Best Regards,
Manoj

2009/4/13 vijay sutrakar <vijay_sutrakar@…555…>

The Buckingham potential is not a bond-order potential.

There are a couple of Tersoff-type parameterization for Si-O systems.
See: http://dx.doi.org/10.1016/S0927-0256(02)00322-1 and
http://dx.doi.org/10.1016/j.commatsci.2006.06.010

Zhun-Yong Ong