Hi All,
I have a gas-solid system where a colder gas atom is hitting to a hotter solid surface and the gas atom is scattering from the solid surface as a result of the energy it obtained from the solid surface. I would like to dump the velocity components of the gas atom when it passes certain distance above solid surface. Is there a way to do it in LAMMPS?
Thank you so much,
Rose
Hi All,
I have a gas-solid system where a colder gas atom is hitting to a hotter solid surface and the gas atom is scattering from the solid surface as a result of the energy it obtained from the solid surface. I would like to dump the velocity components of the gas atom when it passes certain distance above solid surface. Is there a way to do it in LAMMPS?
yes. please see: http://lammps.sandia.gov/doc/dump_modify.html
depending on your specific needs or preferences, you could use the
thresh or the region flag to get what you want.
axel.
p.s.: please note that a qualifier like "distance above the surface"
is ambiguous and thus cannot be applied. you have to use something
more definite like z-coordinate or distance in z from com() of a group
of atoms.