The particles get out of the domain

Submitted by Isabelcristina06 on Tue, 01/04/2022 - 20:45

Hello!

I am trying to simulate a tunnel with 4 spheres but one of these spheres comes out of one of the walls of the STL (it does not bounce)
The file is not recognizing my domain as a wall.

Any help would be appreciated

The configuration of the dictionary of the spheres is as follows:
*****************************
echo both
log ../DEM/log.liggghts
thermo_log ../DEM/post/thermo.txt

atom_style granular
atom_modify map array
communicate single vel yes

boundary f f f
newton off

units si
processors 2 3 1

region reg block 10. 22. 0. 39. 0. 18. units box
create_box 1 reg

neighbor 0.001 bin
neigh_modify delay 0

# Material properties required for new pair styles

fix m1 all property/global youngsModulus peratomtype 5.e7
fix m2 all property/global poissonsRatio peratomtype 0.45
fix m3 all property/global coefficientRestitution peratomtypepair 1 0.9
fix m4 all property/global coefficientFriction peratomtypepair 1 0.5

# pair style
pair_style gran model hertz tangential history #Hertzian without cohesion
pair_coeff * *

# timestep, gravity
timestep 0.0002

fix gravi all gravity 9.81 vector 0.0 0.0 -1.0

# walls
fix tunel all mesh/surface file STL/Tunel.stl type 1
fix geometry all wall/gran model hertz tangential history mesh n_meshes 1 meshes tunel
#fix tunel all mesh/surface file STL/tunel.stl type 1

# cfd coupling
fix cfd all couple/cfd couple_every 10 mpi
fix cfd2 all couple/cfd/force

# create single partciles
create_atoms 1 single 12. 28. 6.5 units box
create_atoms 1 single 17. 28. 6.5 units box
create_atoms 1 single 12. 24. 6.5 units box
create_atoms 1 single 15. 28. 6.5 units box

# lattice comamand documentation (https://www.cfdem.com/media/DEM/docu/lattice.html)
# style --> none:ninguno sc: bcc:body centered cubic fcc:face centered cubic hcp: diamond:diamante sq:cuadrado sq2:cuadrado2 hex:hexadecimal custom:personalizado
# scale --> factor de escala entre la celosia (lattice) y la caja de simulacion (simulation box). densidad rho reducida, constante de celosia en unidades de distacia
# lattice style scale keyword values
#lattice custom 1 origin 0.5 0.5 0.5
#create_atoms 1 region cyl

set atom 1 diameter 0.7 density 1.1 vx 0 vy 0 vz 0
set atom 2 diameter 0.7 density 0.6 vx 0 vy 0 vz 0
set atom 3 diameter 0.7 density 0.4 vx 0 vy 0 vz 0
set atom 4 diameter 0.7 density 1.1 vx 0 vy 0 vz 0

variable vx1 equal vx[1]
variable vy1 equal vy[1]
variable vz1 equal vz[1]
variable vx2 equal vx[2]
variable vy2 equal vy[2]
variable vz2 equal vz[2]
variable vx3 equal vx[3]
variable vy3 equal vy[3]
variable vz3 equal vz[3]
variable vx4 equal vx[4]
variable vy4 equal vy[4]
variable vz4 equal vz[4]
variable x1 equal x[1]
variable y1 equal y[1]
variable z1 equal z[1]
variable x2 equal x[2]
variable y2 equal y[2]
variable z2 equal z[2]
variable x3 equal x[3]
variable y3 equal y[3]
variable z3 equal z[3]
variable x4 equal x[4]
variable y4 equal y[4]
variable z4 equal z[4]
variable time equal step*dt

fix extra1 all print 100 "${time} ${vx1} ${vy1} ${vz1}" file ../DEM/post/velocity_particle_1.txt title "%" screen no
fix extra2 all print 100 "${time} ${vx2} ${vy2} ${vz2}" file ../DEM/post/velocity_particle_2.txt title "%" screen no
fix extra3 all print 100 "${time} ${vx3} ${vy3} ${vz3}" file ../DEM/post/velocity_particle_3.txt title "%" screen no
fix extra4 all print 100 "${time} ${vx4} ${vy4} ${vz4}" file ../DEM/post/velocity_particle_4.txt title "%" screen no
fix extra5 all print 100 "${time} ${x1} ${y1} ${z1}" file ../DEM/post/position_particle_1.txt title "%" screen no
fix extra6 all print 100 "${time} ${x2} ${y2} ${z2}" file ../DEM/post/position_particle_2.txt title "%" screen no
fix extra7 all print 100 "${time} ${x3} ${y3} ${z3}" file ../DEM/post/position_particle_3.txt title "%" screen no
fix extra8 all print 100 "${time} ${x4} ${y4} ${z4}" file ../DEM/post/position_particle_4.txt title "%" screen no

# apply nve integration to all particles that are inserted as single particles
fix integr all nve/sphere #wenn das ausgeblendet, dann kein vel update

# screen output
compute rke all erotate/sphere
thermo_style custom step atoms ke c_rke vol
thermo 1000
thermo_modify lost ignore norm no
compute_modify thermo_temp dynamic yes

# insert the first particles so that dump is not empty
dump dmp all custom 100 ../DEM/post/dump.liggghts_run id type x y z ix iy iz vx vy vz fx fy fz omegax omegay omegaz radius

#force : f_couple_cfd[0] f_couple_cfd[1] f_couple_cfd[2]
#node : f_couple_cfd[6]
#cell id : f_couple_cfd[7]

run 1
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syq20 | Thu, 03/17/2022 - 13:09

I guess your timestep is much too bigger and this would cause numerical instability. Thus I suggest you use a smaller timestep, say delta_t < 20% of reyleigh time and see whether it works.