Breaking Bonds After a Fixed Number of Timesteps

LAMMPS LAMMPS General Discussion
1

Dear LAMMPS users,

I am simulating a structure that can create bonds with particles that I deposit throughout the run. After a new bond is created, I want to break it exactly after N timesteps. I need to do this for every bond that is created between my structure and the particles I deposit. I hope I didn’t miss anything in the documentation, but I couldn’t find a straightforward way to do this. Any help or suggestions are appreciated!

Thank you a lot in advance!

Best wishes,
Ariana Vlad

2

How are the new bonds created?

3

I used fix bond/create to create the bonds when the particles I deposit get close enough to my structure.

4

Thanks for the info.

I don’t see a way to do this with the existing functionality. You would have to program a new fix style in C++ for that purpose.

5

Thank you for the prompt replies!

6

If you use fix bond/react, you could also specify the reverse reaction and use the stabilization keyword (for the forward reaction) to prevent the reverse from occuring for N steps