Hi ! I wish to axially compress a single layer in a multi-layered system by displacing the ends inwards. This should form a bended configuration in that layer. How to go about to do that in LAMMPS(like some hints towards any appropriate fix for this problem)? The idea is to have something like the attached figure. In my understanding, using fix deform will deform the whole box, and hence all the layers. Is there an alternative?
This can be done by defining two groups, each for the atoms are one end and then either move those atoms or add a force.
Using fix deform makes no sense in two ways:
- it requires a dense system with periodic boundaries, but that would not be compatible with your requirement to “displace the ends”
- it deforms the box and scales atom positions so atoms react to it by being closer to each other, which also conflicts with the description of what you want to do.
Dear Axel, thank you for the detailed explanation! So, I should either use fix move or fix addforce for this purpose.