Dear Auther
I intend to calculate radial heat flux J_r in a system such as one
cylindrical made by Si, so that, cylinder axis is heated by a
thermostat and on the other hand, surface of cylinder is colded by an
other thermostat. may you please help me to calculate this quantity.
in manual heat flux is given in cartesian system. but I want to that
in polar system.
Thanks a lot,
Farrokh
Dear Auther
I intend to calculate radial heat flux J_r in a system such as one
cylindrical made by Si, so that, cylinder axis is heated by a
thermostat and on the other hand, surface of cylinder is colded by an
other thermostat. may you please help me to calculate this quantity.
in manual heat flux is given in cartesian system.
but I want to that in polar system.
well, if you want something that hasn't been programmed into LAMMPS,
then you'll have to exercise your programming skills and program it
yourself. that is how a lot of the LAMMPS code came into existence in
the first place.
axel.
If you read Section 6.20 of the manual, it talks about 3 ways
in LAMMPS to monitor heat flux (and thermal conductivity).
The 2nd method (fix thermal/cond) isn't setup to use a polar
geometry. For the 3rd method (compute heat/flux), I'm not
sure if its per-atom output could be post-processed to
yield the radial heat flux that you want (Reese may want
to comment, he is CCd).
However the first method can be used, which is to apply
two thermostats and monitor the heat flowing between
the two regions. The region cylinder command can be
used twice to define an inner and outer cylinder, then
fix heat can be used to heat one region and cool the other.
Steve