[lammps-users] the wall/reflect don't run good

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1

hi in the script attached i try to simulated a GAAS deposit.

the script run good, but if i increment the number of atoms from 25 to 40 and from 12 to 20, lammps lose atoms in the simulation. the simulation box is periodic in x,y and have a wall/reflect in zhi, ¿the lose atoms could pass the wall/reflect in zhi? or the problem could be the zlow.

thank you for all.

data.gaas (45 KB)

GaAs.sw (882 Bytes)

in.zinc (774 Bytes)

2

When you're depositing atoms you can easily blow atoms far out of the
box if they overlap too much. So try to figure out why atom(s) are leaving
the box and where they are going. A wall/reflect won't fix bad physics.

Steve