Hybrid simulation (granular & peri)

JF's picture
Submitted by JF on Fri, 02/01/2013 - 13:19

Hi all,

It's been a long time since my last visit on the forum.
I hope someone will be able to give me some clues to solve my problem.
I try to perform hybrid simulation with pair_style peri and granular.

First question, do you know if this hybrid simulation is possible with LIGGGHTS ?

From the attached picture, you can easily understand that I want to use the granular pair_style to control the interactions between the particles and the walls.

In my simulation, I don't know how can I do to update the position of the red particles (i.e., particles with the type 2) with LIGGGHTS, because these particles have a peridynamic potential and a granular interaction with the walls.

Please, can you explain how do I use the command "compute" tu update smartly the position of the red particles ?

Regards
JF

My file:

pair_style hybrid granular peri
pair_style hybrid/overlay gran/hooke/history cohesion sjkr lperi/pmb
....
group A type 1 (blue particles)
group B type 2 (red particles)
.....
#======= PERI ===============
fix integr_peri all nve
compute 1 A damage/atom
#===========================
#=======GRANULAR ==========
fix integr_gran 2 nve/sphere
compute 2 B erotate/sphere
#===========================
#======== granular walls ========
fix topwall all mesh/surface/stress file topwall.stl type 2
fix bottomwall all mesh/surface/stress file bottomwall.stl type 2
#===========================
.....

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JF's picture

JF | Tue, 02/05/2013 - 12:55

Hi,

I have fixed some errors from the LAMMPS mailing list.

I post the correction. Maybe it will help someone else:

pair_style hybrid/overlay gran/hertz/history cohesion sjkr peri/pmb

pair_coeff * * peri/pmb 1.6863e22 0.0015001 0.0005 0.25
pair_coeff * * gran/hertz/history

JF's picture

JF | Wed, 02/06/2013 - 11:15

Hi,

In the hybrid simulation, I have a last problem to define the radius of spheres in contact with walls.
In the script, I am obligated to choose atom_style peri, but I have this error for the interactions between the spheres and the walls:

ERROR: Fix wall/gran/hertz/history (id wall): requires atom attributes radius, omega, torque (fix_wall_gran.cpp:65)

I would like to know if it exists a command to fix a value of a constant radius in the script.

Regards
JF

ckloss's picture

ckloss | Wed, 02/06/2013 - 16:03

Hi JF,

in that case you would have to use atom_style hybrid granular peri, and with the set command you can set the particle radius

Cheers
Christoph

JF's picture

JF | Wed, 02/06/2013 - 16:39

Hi Christoph,

Thanks for your reply. I know this hybrid simulation is not a classical one.
Unfortunately, I did not have the chance to read a hybrid script.

When I use atom_style hybrid granular peri, I have this error for the read_data:
ERROR: Incorrect atom format in data file

In fact, I have to define a file format as: atom-ID atom-type x y z sub-style1 sub-style2 ...

Please can you correct the format of my data file:

Atoms

atom-ID atom-type x y z granular peri radius density volume density
atom-ID atom-type x y z granular peri radius density volume density

Thanks in advance
Regards
JF

ckloss's picture

ckloss | Thu, 02/14/2013 - 09:28

Hi JF,

I think

atom-ID atom-type x y z radius density volume density

should work

Cheers,
Christoph