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Re: [lammps-users] Nanocutting
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Re: [lammps-users] Nanocutting

From: Axel Kohlmeyer <akohlmey@...24...>
Date: Thu, 17 Aug 2017 15:41:54 -0400

On Thu, Aug 17, 2017 at 2:59 PM, Fabian Duarte <Fabian.Duarte@...2160...> wrote:

Dear all,

I am currently new in LAMMPS and I am trying to run a nanocutting simulation. What I want to do is to rotate the workpiece about the y-axis and the tool move linearly in the z-axis. Attached you will find an image.

​and without equilibration? your picture doesn't look like you have equilibrated the system at all.

The problem in using the fix move rotate command on the workpiece is that I can't perform the fix nve time integration on the workpiece (so when the tool moves across the workpiece, no cutting takes place). I can't do time integration twice on the same atoms.

For that reason, I though it would be useful to use the region move rotate command to rotate the workpiece and then use fix nve to perform time integration on the workpiece. For some reason, when I apply the region move rotate command on the workpiece I get no rotation and I am not sure why. Does anyone know how to solve this issue?

​a moving region does not move the atoms in it, it just matches different atoms depending on the location of the region.
if you want your cylinder to rotate, yet have the atoms on the surface react to the cutting tool, you would have to do something more sophisticated.
the first thing that comes to my mind, is to split the cylinder (workpiece) into two regions: a core and the rest including the surface. now define two groups based on those regions, and then apply fix move to the core atoms and fix nve to the others.



I have attached the script. Any help would be highly appreciated.

Kind Regards,


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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.