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Re: [lammps-users] Accounting for Local Velocity in Langevin Thermostat
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Re: [lammps-users] Accounting for Local Velocity in Langevin Thermostat


From: Axel Kohlmeyer <akohlmey@...24...>
Date: Thu, 27 Jul 2017 23:24:27 -0400



On Thu, Jul 27, 2017 at 7:31 PM, Joshua Cordon <cordonbleu313@...24...> wrote:
Hello,

I am using the USER-SPH package to simulate coating a slurry of 3 types of particles (varying masses and densities) onto a moving surface. I need to use a thermostat to keep the system at a realistic temperature, and I am attempting to use the fix Langevin command to do so. I am having trouble with the fact though that the command doesn't appear to account for local velocities, so it tends to freeze any movement in my system even when it is set at 3000 K. Am I understanding my problem right? Is there another thermostat that I can use that will account for local velocity?

​please read up in the LAMMPS manual about subtracting a temperature bias when thermostatting (section 6.16).
in this case, it seems you may need to subtract the center of mass temperature/velocity when applying the thermostat.

axel.​

 

Thanks,

Joshua Cordon

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--
Dr. Axel Kohlmeyer  akohlmey@...12...24...  http://goo.gl/1wk0
College of Science & Technology, Temple University, Philadelphia PA, USA
International Centre for Theoretical Physics, Trieste. Italy.