Integration problem with hybridmodell gramular molecular

Submitted by RobertG on Mon, 06/22/2015 - 16:42

Hello,
I'm simulating an continuous mixer, which mixes molecules and spheric particles.
The molecules are created continuously and inserted in to the mixer. The molecules are stored in group grpm.
The granular particle are generated classically with the fix insert.... command.

The start works fine. But soon after the molecules come in contact with the particles, it explodes. The molecules stay intact, but the molecules as well as the granular particle from the contact area are basically everywhere..
I guess, it's because of rotating parts from the mixer. There is to much force build up, which can't get transfered to the molecules and granular particles properly.
If that's the case, it would mean that it is not properly integrated. For the molecule dynamics I'm using the

fix int1 grpm rigid molecule

command and for the granular dynamics I'm using the

fix int2 all nve/sphere

command.

I hope some one can help me with this problem.

Best regards
RobertG

richti83's picture

richti83 | Tue, 06/23/2015 - 08:14

you have to use a second group for your particles, eg. group nve_group type 1 (assuming your particles are atom type 1 and molecules are atom type 2) and than fix int2 nve_group nve/sphere.
As you did not post the property matrix I can not tell you if your settings for coefficient of restitution and youngsmodulus are suitable, I've seen another post here with Y=1e8, COR=0.87 which I think is to much (only 13% damping). I would try Y=1e7 or less and COR=0.2 (we found out that the COR has no significant influence on AOR)

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RobertG | Wed, 06/24/2015 - 16:57

Thank you richti83,
I have already tried it and it didn't run stabel. But I think the write_restart command was the real problem.
Has nothing to do with the topic, but do you know how I can reastart a hybrid model?

Best regards
Robert