ATC example for bar across a gap

Dear Lammps users,

I want to create a simple test input (say fcc with LJ potential from the bar example) that is embedded in a finite element region with a two temperature model.

I want the md region to be a bar with vacuum above and below it (in the z direction), then either side of it I want a finite element region that covers the full distance in z (no vacuum), so the md region is fully enclosed by material. Similar to the set up for from the carbon nano-tube simulation.

I will eventually want to put a laser pulse into the bar. Is this possible?

Thanks,

Anthony

...and another one.

If your question is it possible to have a vacuum region in addition to a solid/LJ region the answer is yes.

I'll look for some representative input files and send them to you.
Reese

Reese Jones
[email protected]
925 294-4744

Dear Reese,

To clarify I want the following geometry where

m = md region containing atoms at t=0
f = finite element region
p = periodic boundary condition
b = non-periodic boundary

pbbbbbbbbbbbbbbbbbbbbbbbbbbbbbbbbbbp
pffffffffff ffffffffffp
pffffffffff ffffffffffp

pffffffffff ffffffffffp
pffffffffff ffffffffffp
pffffffffff ffffffffffp
pffffffffff ffffffffffp

pffffffffff ffffffffffp
pffffffffffmmmmmmmmmmmmmmmmffffffffffp
pffffffffffmmmmmmmmmmmmmmmmffffffffffp

pffffffffffmmmmmmmmmmmmmmmmffffffffffp

pffffffffffmmmmmmmmmmmmmmmmffffffffffp

pffffffffffmmmmmmmmmmmmmmmmffffffffffp

pffffffffff ffffffffffp
pffffffffff ffffffffffp
pffffffffff ffffffffffp
pffffffffff ffffffffffp
pffffffffff ffffffffffp
pffffffffff ffffffffffp
pffffffffff ffffffffffp

pbbbbbbbbbbbbbbbbbbbbbbbbbbbbbbbbbbp

where the gap will be treated with MD and is initially empty and z is up the page.

Thanks,
Anthony