Reaxff potential

If by the same result, you mean the oxygen atoms pass through the Fe crystal without even slowing down (as in your original movie), then I can not explain it. But you should probably do some more testing.

If by the same result, you mean the oxygen atoms pass through the Fe crystal
without even slowing down (as in your original movie), then I can not
explain it. But you should probably do some more testing.

one test that i suggest you should do is to not use fix deposit, but
use the create_atoms random command to create some oxygen atoms atop
the surface before you start the run, give them a (small!) velocity
toward the surface and check that out instead.

axel.

hello,

thank you Axel for your suggestion, i have tested it in previous work to creat atoms on the top of substrate with zerro velocity.
i always get the same thing: the oxygen atoms pass through the substrate without slowing down.

can i anyone please; send me a script example that have been successfully worked .

thank you in advance.

If by the same result, you mean the oxygen atoms pass through the Fe crystal
without even slowing down (as in your original movie), then I can not
explain it. But you should probably do some more testing.

one test that i suggest you should do is to not use fix deposit, but
use the create_atoms random command to create some oxygen atoms atop
the surface before you start the run, give them a (small!) velocity
toward the surface and check that out instead.

axel.

hello,

thank you Axel for your suggestion, i have tested it in previous work to
creat atoms on the top of substrate with zerro velocity.
i always get the same thing: the oxygen atoms pass through the substrate
without slowing down.

​how is it possible that your atoms pass through the substrate when you
assign them a zero velocity?​ atoms may be absorbed into the slab or not.
are you certain that you do not assign a velocity? and if yes, is that
value meaningful. if your deposit particle velocity is very large, atoms
will pass through the slab like any high-speed projectile will do.

​axel.​