dear lammps users,
i am working in the area of gas surface interaction. how can i get the count of molecules hitting surface as well as leaving the surface? also velocity of the molecules before and after interaction with the surface?
thanks in advance
You'd have to write a fix to look for these events
and generate statistics about them. Unless you
can define the geometric region where the
event happens, then you could dump, for example,
only gas molecules that get close to the surf, with
the dump custom and dump_modify thresh commands.