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Re: Repetetive rotation behaviour of a particle

From: Ahmad Reza Motezakker
Subject: Re: Repetetive rotation behaviour of a particle
Date: Fri, 12 Mar 2021 15:28:14 +0000

Dear Rudolf,

Thank you very much for your reply. Yes, I have single point particle. As you suggested, I tried raspberry model to create my particle and the problem is solved.

Thank you very much,

Ahmad Reza

From: Rudolf Weeber <>
Sent: Thursday, March 11, 2021 7:27:42 PM
To: Ahmad Reza Motezakker
Subject: Re: Repetetive rotation behaviour of a particle
On Thu, Mar 11, 2021 at 05:38:33PM +0000, Ahmad Reza Motezakker wrote:
> I have a single spherical particle coupled with LB fluid. I have activated rotation =(1,1,1) and defined inertia for the particle. When I analyse angular mean squarred displacement, I realize that the rotation behavior repeats itself (please check the attached schematic image). To make sure, I visualized the particle with an arrow fixed to the particle. I really appreciate that if you could share with me your thoughts. Thank you.
Is this a single point particle or a raspberry?
You'd need the latter to get rotational diffusion. Please see the papers by J. de Graf, for example.
For a point pparticle with the LB thermostat, Espresso will just apply Euler's eqn for rotation without any friction.

Regards, Rudolf

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