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Re: [lammps-users] Total Kinetic Energy
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Re: [lammps-users] Total Kinetic Energy


From: Axel Kohlmeyer <akohlmey@...24...>
Date: Tue, 20 Jun 2017 09:50:34 -0400



On Tue, Jun 20, 2017 at 9:45 AM, Roberts, Andrew <A.P.Roberts@...5884...> wrote:

Hi,


I need to compute the total kinetic energy for a polydisperse system in a 2D Couette flow as it is being sheared over time in order to determine whether the system has reached steady state conditions. I plan to plot the total kinetic energy versus number of timesteps. Do I simply do this:

sumOver_i [ 0.5(mass_i x velMagnitude_i ^2) ]


Where:

velMagnitude_i = sqrt(vx_i^2 + vy_i^2)


For all particles i?


Or is there a simpler way?

http://lammps.sandia.gov/doc/compute_ke.html

​or use the "ke" thermodynamic variable.

axel.​

 


Kind regards,


Andrew


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