Hi all,
i want to model particle agglomerates that are hold together by Van der Waals force. For 1 agglomerate i read in the particle positions that form 1 agglomerate. What can i do to insert multiple particles of the same sort and size? Defining every particle position by hand is very tedious. I have 200K agglomerates in total. Multipsheres work nicely but they break ALL at once and i don't want this beaviour if i model the cohesion by Van der Waals force.
THANKS for any hints!
mschramm | Wed, 04/28/2021 - 16:20
look into multiplespheres
You could try defining them via multiplespheres template rather than the multisphere template.
The template is part of the public release but they never gave it documentation.
This is the fix that I use when inserting bonded particles. Here is an example to insert multiple spheres at once (without them being bonded together).
This will create a single line of spheres but you can make any shape you want.
fix pts1 all particletemplate/multiplespheres 15485863 atom_type 1 density constant ${particle_density} nspheres 21 ntry 50000 spheres &
0.00000 0.0 0.0 0.001415 &
0.00283 0.0 0.0 0.001415 &
0.00566 0.0 0.0 0.001415 &
0.00849 0.0 0.0 0.001415 &
0.01132 0.0 0.0 0.001415 &
0.01415 0.0 0.0 0.001415 &
0.01698 0.0 0.0 0.001415 &
0.01981 0.0 0.0 0.001415 &
0.02264 0.0 0.0 0.001415 &
0.02547 0.0 0.0 0.001415 &
0.02830 0.0 0.0 0.001415 &
0.03113 0.0 0.0 0.001415 &
0.03396 0.0 0.0 0.001415 &
0.03679 0.0 0.0 0.001415 &
0.03962 0.0 0.0 0.001415 &
0.04245 0.0 0.0 0.001415 &
0.04528 0.0 0.0 0.001415 &
0.04811 0.0 0.0 0.001415 &
0.05094 0.0 0.0 0.001415 &
0.05377 0.0 0.0 0.001415 &
0.05660 0.0 0.0 0.001415 &
bonded no
berlinphoenix | Thu, 04/29/2021 - 15:25
Works!
Hi mschramm,
thanks very much for your comment! I modified your fix to:
fix pts1 all particletemplate/multiplespheres 15485863 atom_type 1 density constant 450 nspheres 36 ntry 500000 spheres file n=36_Df_1.3.txt scale 5000
And it works as needed!
Much appreciate your help
Kind Regards