Re: Anisotropic particle with LB Fluid

[Ahmad Reza Motezakker]

​Dear Kai,

Thank you very much for the comment. I will go over the tutorial as soon as possible.

Best Regards,

Ahmad Reza 

---

From: Kai Szuttor <address@hidden>
Sent: Tuesday, May 26, 2020 1:55 PM
To: Ahmad Reza Motezakker
Cc: address@hidden List
Subject: Re: Anisotropic particle with LB Fluid

 

Dear Ahmad,

if you want to have rotational degrees of freedom you need to have more than one coupling point between your “particle” and the LB fluid. Commonly the so-called raspberry model is employed where you have a rigid body consisting of several point particles that make up the desired shape and therefore hydrodynamic coupling to the LB fluid.

Please have a look at doc/tutorials/05-raspberry_electrophoresis in the espresso project for a tutorial on that matter.

Best Kai

Kai Szuttor

Institute for Computational Physics
Universität Stuttgart
Allmandring 3

Room 1.084
70569 Stuttgart, Germany
Phone: +49 711 685-67707

On 26. May 2020, at 13:44, Ahmad Reza Motezakker <address@hidden> wrote:

Dear EspressoMD users,

I am trying to simulate a rod shape particle in LB Fluid. As you know, easily we can define gamma in parallel and translational for the rod in langevin thermostat. But when we turn off the langevin thermostat to add LB thermostat, how we can get higher MSD in parallel direction?

According to the current result (With LB thermostat), even I get lower MSD for parallel direction of rod shape particle.

Best Regards,

Ahmad Reza