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Re: [lammps-users] How to realise adiabatic boundary conditions in lammps?
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Re: [lammps-users] How to realise adiabatic boundary conditions in lammps?

From: Axel Kohlmeyer <akohlmey@...24...>
Date: Fri, 11 May 2018 18:37:21 -0400

On Fri, May 11, 2018 at 11:48 AM, Qiangqiang Sun <sh1225128@...43...4...> wrote:
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.​


Thanks in advance.

Best wishes,
Qiangqiang Sun

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Dr. Axel Kohlmeyer  akohlmey@...12...24...
College of Science & Technology, Temple University, Philadelphia PA, USA
International Centre for Theoretical Physics, Trieste. Italy.