Hello. I was wondering if anyone knows how to simulate an electric current passing through two connected regions in lammps or some other MD program.
Hi,
MD only has atoms, and charges for some models are treated as
variables instead of real electrons. So one can't simulate electric
current with MD.
Best,
Ray
Hello. I was wondering if anyone knows how to simulate an electric current
passing through two connected regions in lammps or some other MD program.
that is a trick question.
do you want to compute the actual
current or the effect of a current?
the first is impossible with classical MD,
since you don't have any electrons.
the second is possible but you'll have
to may the effect of your current to
the motions of your atoms. that would
require some survey of the literature to
find out what does happen (experimentally)
and other people have done to model that
and then you can check if LAMMPS supports
the necessary manipulations.
axel.