Dear all,
I’m trying to simulate carbon atom deposition on silicon surface.
I use ‘loop’ command and randomly create an atom for each loop. The creation part in the input file is following.
I succeeded the simulation when the incidence energy was low, but the problem is that when the incidence energy is high (10eV/atom),
incidence atoms stop to move suddenly after some loops and cumulated at the very created points.
Each created atom was assigned to each group determined by atom id (id is equal to the number of atoms in substrate + the number of created atom)
, and I checked that the atom id was consecutively assigned for each atom, but the atom didn’t move at all for the remaining steps.
I tried to solve this problem, but I failed after all.
If you have experienced similar problem and solved it, please give me some advice.
Thank you!
Dear all,
I'm trying to simulate carbon atom deposition on silicon surface.
I use 'loop' command and randomly create an atom for each loop. The creation
part in the input file is following.
I succeeded the simulation when the incidence energy was low, but the
problem is that when the incidence energy is high (10eV/atom),
incidence atoms stop to move suddenly after some loops and cumulated at the
very created points.
Each created atom was assigned to each group determined by atom id (id is
equal to the number of atoms in substrate + the number of created atom)
, and I checked that the atom id was consecutively assigned for each atom,
but the atom didn't move at all for the remaining steps.
I tried to solve this problem, but I failed after all.
If you have experienced similar problem and solved it, please give me some
advice.
is there a specific reason that you perform the deposition with such a
complex script and not use fix deposit instead?
it is difficult to determine sources of errors from complex scripts by
just looking at them and without the option of being able to run the
complete input. thus you are mostly on your own. you may want to
carefully examine the statistics after each completed run.
specifically information about dangerous builds. since you mention
that the error primarily happen at high impact velocity, you may need
to reduce your time step. there also could be over/underflows in your
variable functions. it often helps to print thermo and coordinate
output more frequently an observe through visualization and looking at
thermodynamic information, if something is off.
axel.