Cracks propagation using CFDEM : error. Problem in using atom_style atomic

Submitted by B Malagoli on Mon, 12/17/2012 - 15:45

Hi cfdemers,

I've modified the tutorial cfdemSolverPiso to simulate cracks in some porous media filled with fluids.
The OpenFoam part with the changes I've made seems okay, but when I'm trying to modify the DEM file in.liggghts_resume I get some error :

Coupling...
LIGGGHTS could not find property radius to write data from calling program to.
ERROR on proc 0: This is fatal (cfd_datacoupling_mpi.h:160)

My problem seems to be that I'm changing the atom_style to atomic as I need to use a lj/cut pair_style. Here's what I've done :

atom_style atomic
communicate single vel yes
boundary m m m
units si

lattice bcc 1
region reg block 0 10 0 10 0 110
create_box 3 reg
create_atoms 1 box

mass 1 1.0
mass 2 1.0
mass 3 1.0

neighbor 0.3 bin
neigh_modify delay 5

#pair style
pair_style lj/cut 2.5
pair_coeff * * 1.0 1.0 2.5

timestep 0.00001

#cfd coupling
fix cfd all couple/cfd couple_every 100 mpi
fix cfd2 all couple/cfd/force

#apply nve integration to all particles that are inserted as single particles
fix integr all nve #/sphere

#center of mass
#compute centerOfMass all com

#compute total dragforce
#compute dragtotal all reduce sum f_dragforce[1] f_dragforce[2] f_dragforce[3]

#screen output
#compute 1 all erotate #/sphere
#thermo_style custom step atoms ke c_1 vol c_centerOfMass[3] c_dragtotal[1] c_dragtotal[2] c_dragtotal[3]
thermo 10
#thermo_modify lost ignore norm no
#compute_modify thermo_temp dynamic yes

#insert the first particles so that dump is not empty
#dump myDump all stl 1 post/dump_*.stl
#run 1
#dump dmp all custom 5000 ../DEM/post/dump*.liggghts_restart id type type x y z vx vy vz fx fy fz f_dragforce[1] f_dragforce[2] f_dragforce[3] radius
#undump myDump

run 1

Hence the following questions : do I have to define a granular atom_style ? How can I define this missing radius ?

Any help would be much appreciated
Ben

eddie | Mon, 02/25/2013 - 01:14

Based on my experience, you cannot use atomic style which does not account for radius of any atom. It is different from granular atom-style!

Research Assistant,
Mechanical and Aerospace Engineering,
University of Missouri - Columbia, USA