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cleanup DEM scripts

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This commit is contained in:
ekinaci
2017-07-18 15:28:32 +02:00
parent 28ddc53754
commit ca6dbf6f12
2 changed files with 2 additions and 13 deletions
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10
tutorials/cfdemSolverRhoPimpleChem/Shrinking_particle_model/DEM/in.liggghts_init
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@ -43,16 +43,6 @@ fix zwalls2 all wall/gran model hertz tangential history primitive type 1 zp
create_atoms 1 single 7.5 2.5 2.5 units box
set atom 1 diameter 0.2 density 2267 vx 0 vy 0 vz 0
# particle distributions and insertion
#region bc block 0.25 1.25 0. 0.5 0. 0.5 units box
#fix pts1 all particletemplate/sphere 1 atom_type 1 density constant 2267 radius constant 0.035
#fix pdd1 all particledistribution/discrete 1 1 pts1 1.0
#fix ins all insert/pack seed 100001 distributiontemplate pdd1 vel constant 0. 0. 0. insert_every once overlapcheck yes all_in yes particles_in_region 1 region bc
# apply nve integration to all particles that are inserted as single particles
#fix integr all nve/sphere
# screen output
compute rke all erotate/sphere
thermo_style custom step atoms ke c_rke vol

5
tutorials/cfdemSolverRhoPimpleChem/Shrinking_particle_model/DEM/in.liggghts_run
View File

@ -19,7 +19,6 @@ reset_timestep 0
neighbor 0.0005 bin
neigh_modify delay 0 binsize 0.01
# Material properties required for granular pair styles
fix m1 all property/global youngsModulus peratomtype 5.e6
@ -32,7 +31,7 @@ pair_style gran model hertz tangential history # Hertzian without cohesion
pair_coeff * *
# timestep, gravity
timestep 0.000001
timestep 1e-6
fix gravi all gravity 0.0 vector 0.0 -1.0 0.0
# walls
@ -53,7 +52,7 @@ fix cfd3 all couple/cfd/chemistry n_species 3 species_names O2 CO2 N2
# this should shrink the particle
#fix cfd4 all chem/shrink speciesA O2 molMassA 31.99 speciesC CO2 molMassC 44.01 molMassB 12.01 k 2.5e3 rdef 0.2
fix cfd4 all chem/shrink speciesA O2 molMassA 31.99 speciesC CO2 molMassC 44.01 molMassB 12.01 k 2.5e-1 rmin 0.005 nevery 1000
fix cfd4 all chem/shrink speciesA O2 molMassA 31.99 speciesC CO2 molMassC 44.01 molMassB 12.01 k 2.5e-1 rmin 0.005 nevery 1
# apply nve integration to all particles that are inserted as single particles
fix integr all nve/sphere