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[lammps-users] How do I model Couette Flow in a NVT system with a void space
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[lammps-users] How do I model Couette Flow in a NVT system with a void space


From: "罗爽" <luoshuang@...7337...>
Date: Fri, 13 Apr 2018 13:22:24 +0800

Dear Lammps users

The simulation system contains a rigid surface and a water film of 5-7 layers molecules sitting on the surface.  To avoid unnecessary water-surface interactions caused by PBCs, a void space above the water is used.  I am looking a way to model the Couette flow of water in this system.  I know that the linear velocity profile of the fluid can be obtained by dragging a wall or used fix nvt/slood and fix deform commands.  But I don't want my box be deformed and I also don't want the water confined in a channel.  I tried to add a velocity paralleling to the surface to water molecules in the upper-most layers.  However, the volume of the water is changed due to the void space.  Thus, it's difficult to define the water molecules in the upper most layer.  How can I do to get the couette flow in this system?

Any help will be highly appreciated

Thank you all very much

Luo