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.
Steve
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.
Joe
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.
frame1
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.
Steve
