I’m trying to simulate an atomic deposit process in a wurtzite structure.
During the MD process, I want to set the top (along Z axis) region to be the deposit region, with an NVE ensemble, the middle region to be the substrate with an NVT ensemble. During the deposition, the size of the top and middle region decrease and increase, respectively.
When I use the move command, the region moves but I would like only the top part of the region to move. Is there a command on lammps to do this?
You can create a dynamic group based on a geometric region and apply that to the move command, see group command — LAMMPS documentation.
When I use the move command and group dynamic, the region moves but I would like only the top part of the region to move.