[lammps-users] deformation mechanism in the LAMMPS simulation code

Hi, everyone,

I have been using Lammps to do the deformation simulation and it works very well. I am just very curious about the deformation mechanism about how the code controls the deformation.

The following is my understanding. I use constant displacement deformation mode which moves the bondaries. As the bondaries move, the distance between the atoms connected by the periodic boundary condition will be increased. The bond stretching potential will force the atoms to move along the deformation direction. The effect is the atoms move closer to the bondary one by one through forces.

Are there suggestions about this thought?

Thanks in advance.




I’m glad that your experience with LAMMPS’s deformation option has been good. As far as your conceptualization of what the code is actually doing, I think it depends very much on which deform options you have activated. Especially relevant is the remap keyword. For more information, see: