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Re: [lammps-users] How can I realize Langevin Dynamics without inertia (Brownian Dynamics) by fix langevin or other command?
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Re: [lammps-users] How can I realize Langevin Dynamics without inertia (Brownian Dynamics) by fix langevin or other command?


From: Eric Murphy <murphyericjames@...24...>
Date: Thu, 6 Jul 2017 11:01:06 -0500

Pair style lubricateU coupled with pair style Brownian does accomplish this.  However, there are additional terms that account for 2-body and averaged multibody interactions via zero Reynolds number hydrodynamics.  If you're just looking to supply some random perturbations to your system as Stefan suggests, you still might look at those as starting points.

Regards,
Eric Murphy
Graduate Research Assistant, Mechanical Engineering
Iowa State University


On Wed, Jul 5, 2017 at 7:24 PM, Wusheng Zhang <minky.k.jiang@...24...> wrote:
Dear LAMMPS users,

I am trying to realize overdamped Langevin Dynamics in my system. The Wikipedia told me that in the case of overdamped Langevin Dynamics, the mass would be ignored, and then the particle will not accelerate. In LAMMPS, I tried fix langevin, but based on the documentation, there is still the variable m ( the mass of the particle) in the Ff and Fr term. So I am not sure by fix langevin command, whether the particle can accelerate or not. If the particle still can accelerate, is there any other command can realize Brownian Dynamics and the particle will not accelerate? Thank you very much.

Best regards,
zjgbz

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