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80 lines
2.9 KiB
Plaintext
80 lines
2.9 KiB
Plaintext
#######################################################
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# tutorial case showing coarse graining functionality #
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# Christoph Goniva 08.02.2013 #
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#######################################################
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echo both
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#######################################################
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# variables #
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#######################################################
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variable cg equal 2
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variable r0 equal 0.00025
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variable nPorg equal 71000
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variable nPscal equal ${nPorg}/(${cg}*${cg}*${cg})
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#######################################################
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atom_style granular
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atom_modify map array
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communicate single vel yes
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coarsegraining ${cg}
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boundary m m m
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newton off
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units si
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processors 2 2 1
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region reg block -0.015 0.015 -0.015 0.015 -0.001 0.0554 units box
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create_box 1 reg
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neighbor 0.001 bin
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neigh_modify delay 0
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#Material properties required for granular pair styles
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fix m1 all property/global youngsModulus peratomtype 5.e6
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fix m2 all property/global poissonsRatio peratomtype 0.45
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fix m3 all property/global coefficientRestitution peratomtypepair 1 0.3
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fix m4 all property/global coefficientFriction peratomtypepair 1 0.5
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#pair style
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pair_style gran model hertz tangential history
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pair_coeff * *
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#timestep, gravity
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timestep 0.00001
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fix gravi all gravity 9.81 vector 0.0 0.0 -1.0
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#walls
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fix zwalls1 all wall/gran model hertz tangential history primitive type 1 zplane 0.0
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fix zwalls2 all wall/gran model hertz tangential history primitive type 1 zplane 0.0553
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fix cylwalls all wall/gran model hertz tangential history primitive type 1 zcylinder 0.01385 0. 0.
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#particle distributions and insertion
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region bc cylinder z 0.0 0.0 0.012 0. 0.055 units box
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fix pts1 all particletemplate/sphere 1 atom_type 1 density constant 7000 radius constant ${r0}
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fix pdd1 all particledistribution/discrete 1 1 pts1 1.0
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fix ins all insert/pack seed 100001 distributiontemplate pdd1 vel constant 0. 0. -1. insert_every once overlapcheck yes all_in yes particles_in_region ${nPscal} region bc
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#apply nve integration to all particles that are inserted as single particles
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fix integr all nve/sphere
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#screen output
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compute rke all erotate/sphere
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thermo_style custom step atoms ke c_rke vol
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thermo 1000
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thermo_modify lost ignore norm no
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compute_modify thermo_temp dynamic yes
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#insert the first particles so that dump is not empty
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run 1
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dump dmp all custom 5000 post/dump.liggghts_init id type x y z vx vy vz fx fy fz omegax omegay omegaz radius
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#force : f_couple_cfd[0] f_couple_cfd[1] f_couple_cfd[2]
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#node : f_couple_cfd[6]
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#cell id : f_couple_cfd[7]
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run 10000 upto
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write_restart ./post/restart/liggghts.restart_coarseGraining_${cg}
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