Deposition of molecules with fix-deposit command


I am trying to have a deposited group of molecules come down from a specific location in the top of the simulation box and hit a silicon workpiece. I also would like for the molecules to cut through the workpiece and exit the other side. I am trying to simulate a cutting action using deposited molecules. However, I am having trouble getting the molecules to be deposited in a more organized cluster all the way down onto the workpiece and then they are piling up on top of the workpiece.

Is there a way to control these parameters in LAMMPS? Any advice is appreciated.


in.try.deposit (1.53 KB)

molecule.dimer (181 Bytes)

Si.sw (800 Bytes)

The fix deposit command doc page explains
exactly how the position and velocity of the
incoming atom or molecule is set. It is meant
to model “randomized” deposition, e.g. the
way it would happen if a flux of atoms were
coming down on the surface in an expt device.

If you want some more specialized initial conditions
on the incoming molecules, you’ll have to add
options to fix deposit yourself, e.g. extend the fix
and create a new one.