Deposit Al, N atoms

I try to simulate a deposition of Al, N atoms in a AlN surface, the problem is when we used deposit command the atoms added with deposit don’t move .
Any help!
deposit (1.1 KB)

In order to move the deposited atoms need to be added to a group that is time integrated.
Is this the case in your input?

you mean I fix nvt the deposited atoms?
In attachement the input file
fr (1.3 KB)

With the information I provided and what is explained in the documentation you should be able to resolve this on your own. I am not an input approval service.

1 Like

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.
I used this region r_middle block INF INF INF INF 4.97 $(26+step*0.0000048*0.85) and region r_deposition block 0.0 45.5 0.0 79.92 $(27+step*0.0000048*0.85) 126 but it doesn’t work.
The input file: (1.3 KB)

Any help!
Besr regard

This is a very unscientific description. Debugging your input is first and foremost your job anyway.

This command does not do what you say it would. You are using an “immediate variable”. This is created and evaluated during input processing and thus before the region command is executed. Thus the region command does not even know there is a variable. The documentation of the region command also explicitly lists for which region command arguments (equal style and compatible) variables are accepted. All other arguments do not accept variables and would require changes to the source code to enable such a feature.

LAMMPS does what its manual say it does.

I used variable dz equal $(step0.00000480.85)
region r_middle block INF INF INF INF 4.0 26 move NULL NULL v_dz units box but this command doesn’t set the dynamic region.
Any help!

This is the same problem as before, just with one level of indirection added. Please study the documentation of the different kinds of variables with more care and attention to detail.

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?
Best regard

Please post this new question as a new topic and provide the sufficient information that people can reproduce it and make qualified suggestions. Your rather vague description does not help much and your question is too unspecific.