Restrict motion of atoms

Dear all
I’m modeling a tensile test on Al CNT material, where the CNT is embedded in the center of the Al matrix with a slight gap between the two
After the minimization the Al atoms enter this gap
I want to restrict the Al atoms from entering inside the hole created for the CNT atoms
is there is any command in LAMMPS that will allow me to do this?


Not really. What you observe is the physics of your model. So if your model does not produce the desired outcome, you need to refine your model, or accept the situation. If you would issue some commands that prohibit specific atom motions, you won’t be doing science anymore but computer animation.

thank you