Hi all,
I am trying to simulate the single particle falling under gravity.
As a base case I took twoParticleGlowinski case, which uses  IB method for particle.
In my case the particle also rotating with certain angular velocity.
the simulation is running fine but when I track the particle position I found that some part of particle is going inside
the wall (i.e. wall normal distance of particle center is less than its radius)
A quick search through forum suggest that it is due to large time step but in my case even with dt=10e-7 same thing is happening
the listing of in.liggghts_run 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 2 2
region          reg block 0. 1. 0. 1. 0. 4. units box
create_box      1 reg
neighbor        0.03 bin
neigh_modify    delay 0 binsize 0.01
# 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        0.0000001
fix gravi all gravity 9.81 vector 0.0 0.0 -1.0
# walls
fix     xwalls1 all wall/gran model hertz tangential history primitive type 1 xplane 0.
fix     xwalls2 all wall/gran model hertz tangential history primitive type 1 xplane 1.
fix     ywalls1 all wall/gran model hertz tangential history primitive type 1 yplane 0.
fix     ywalls2 all wall/gran model hertz tangential history primitive type 1 yplane 1.
fix     zwalls1 all wall/gran model hertz tangential history primitive type 1 zplane 0.
fix     zwalls2 all wall/gran model hertz tangential history primitive type 1 zplane 4.
# cfd coupling
fix     cfd  all couple/cfd couple_every 100 mpi
fix     cfd2 all couple/cfd/force
# create single partciles
create_atoms 1 single .5 .5 3.5  units box
set atom 1 diameter 0.2 density 1500 vx 0 vy 0 vz 0 omegay 4 
variable        vx1 equal vx[1]
variable        vy1 equal vy[1]
variable        vz1 equal vz[1]
variable        x1 equal x[1]
variable        y1 equal y[1]
variable        z1 equal z[1]
variable        omegax1 equal omegax[1]
variable        omegay1 equal omegay[1]
variable        omegaz1 equal omegaz[1]
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} ${x1}  ${y1}  ${z1}"  file ../DEM/post/position_particle_1.txt title "%" screen no
fix             extra3 all print 100 "${time} ${omegax1}  ${omegay1}  ${omegaz1}"  file ../DEM/post/angular_velocity_particle_1.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
Any help in this regards will be highly appreciated
Atul M. Bhagat
 
      
Ermek Asylbekov | Mon, 05/14/2018 - 11:27
Soft sphere model
Hi Atul,
it's absolutely normal. The overlaping is a part of the soft sphere model which is fundamental for DEM simulations. If you'd track some particle collisions you'll find that the distance between the centers of two colliding particles is less than the sum of their radius. The overlap is used by the contact model to caculate contact forces (just look up the Hertz-Mindlin-Model).
So if your particles overlap with the wall its not a malfunction. However something went wrong if they completely penetrate the wall. In this case you should check your DEM timestep. But in your case your timestep could even be larger (~5e-4).
Regards,
Ermek