How to realise adiabatic boundary conditions in lammps?

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1

Hi all,

I am trying to simulate flow and heat transfer of a two parallel plates model as the picture in attach file shown. Heat flux is imposed on the top wall, while the left and right side of top and bottom wall are adiabatic boundary conditions.

So, my questions are

which commands can be used to impose adiabatic boundary conditions and heat flux?

Thanks in advance.

Best wishes,
Qiangqiang Sun

q.jpg

2

Hi all,

I am trying to simulate flow and heat transfer of a two parallel plates
model as the picture in attach file shown. Heat flux is imposed on the top
wall, while the left and right side of top and bottom wall are adiabatic
boundary conditions.

So, my questions are

which commands can be used to impose adiabatic boundary conditions and
heat flux?

​you would impose a thermostat on the atoms in the outer parts of your two
walls. a dissipative thermostat like fix langevin is usually good for that.
you can see a more detailed discussion on that in the mailing list archives
when you search for how to do physically meaningful slab configuration.​

​axel.​