[lammps-users] Deposit a cluster of atoms

You'd have to modify the fix deposit command to do
something more compilicated like a cluster. Non-trivial
because you'd also have to add its bonds, angles, etc.


I don’t understand what the problem in depositing a cluster on a surface?
I did simulate collisions of a cluster of atoms with a surface.

Z. Insepov

By using fix deposit command, I can deposit an atom one by one, but not a bunch of atoms, cluster.

How did you deposit a cluster with the LAMMPS?

Did you use the fix deposit command?

Thank you in advance.


No, I didn’t. You make a cluster in a region “gas”, then you create a target in a region"surface". Then you submit a velocity to the cluster as a whole and watch what happens.
Please see below the results of a Cu465 cluster impact with a Aluminum surface.

Z. I.




frame 21

frame 48

Minwoong Joe wrote:

The disconnect here is that this works for banging one cluster into a surface.
But if Joe wants to depsosit multiple small molecules/clusters, one at a time,
the way fix deposit does, by creating them on the fly, then you’d need a
smarter version of fix deposit.

ZI: these are cool pics - can I post them on the LAMMPS WWW page? - see
the Pictures section - if so, please send me a brief paragraph or 2
of explanation to sjplimp at sandia.gov, and the full JPGs.