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CFDEMcoupling-PFM/tutorials/cfdemSolverIB/twoSpheresGlowinskiMPI/DEM/in.liggghts_run
2017-03-07 17:50:13 +01:00

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#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 1
region reg block 0. 1. 0. 1. 0. 4. units box
create_box 1 reg
neighbor 0.3 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 0.00003
fix gravi all gravity 981 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 10 mpi
fix cfd2 all couple/cfd/force
# create single partciles
create_atoms 1 single .5 .5 3.5 units box
create_atoms 1 single .5 .5 3.16 units box
set atom 1 diameter 0.167 density 1.5 vx 0 vy 0 vz 0
set atom 2 diameter 0.167 density 1.5 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 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 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} ${x1} ${y1} ${z1}" file ../DEM/post/position_particle_1.txt title "#" screen no
fix extra4 all print 100 "${time} ${x2} ${y2} ${z2}" file ../DEM/post/position_particle_2.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