[lammps-users] fix smd

Dear Lammps users,

I a trying to understand what happens during the pullout of the soft EPDM nanofiber form matrix. So, I created two different samples: (a) one is with pristine nanofiber (only vdW at the interface) and (b) the other one is with surface modified nanofiber (chemical bonds at the interface). See figures a and b in the below image.

During the pull-out test via fix smd, I see that the surface-modified nanfiber is first deformed and then we see a full breakage rather than the fully pulling out (figure b). but in the case of weak interfacial adhesion, the nanofiber is easily pulled out (figure a).

Can be this due to the relaxation issue? I made sure that the structure was fully relaxed.

Sorry, but your question is something that you should discuss with your adviser/supervisor or other colleagues or collaborators that are familiar with your research.
How to interpret your simulation results is not something that the LAMMPS (or any other) MD software is concerned with. It computes what you ask it to. It is just a tool.
Understanding the results is a different thing.