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114 lines
3.5 KiB
Plaintext
114 lines
3.5 KiB
Plaintext
# Insert a RBC into a box, then induce shear flow
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log ../DEM/log.liggghts
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thermo_log ../DEM/post/thermo.txt
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# bond parameter setup
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variable rp equal 1.955 # sphere radius
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variable ro equal 1 # bond outer radius multiplier
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variable ri equal 0 # bond inner radius multiplier
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variable rb equal 2*${ro}*${rp} # bond radius
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variable lb equal 0.3090 # bond length multiplier
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variable damp equal 300 # damping coefficient
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# material properties
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variable G equal 0.005333 # in-plane shear modulus of the membrane
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variable Y equal 0.020426 # in-plane Young's modulus of the membrane
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variable Sn equal $Y/3.91 # analogous Youngs modulus of the parallel bond
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variable St equal $G/3.91 # analogous shear modulus of the parallel bond
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variable Sben equal ${Sn}*10 # analogous bending modulus of the parallel bond
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variable Stor equal ${Sn}*10 # analogous torsional modulus of the parallel bond
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# atom type and style
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atom_style hybrid granular bond/gran n_bondtypes 1 bonds_per_atom 6
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atom_modify map array
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# boundary
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boundary p f p
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# communication
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newton off
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communicate single vel yes
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# units
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units micro
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#region and box creation
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region domain block 0 45 0 22.5 0 22.5 units box
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create_box 2 domain
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# neighbors
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neighbor 1 bin
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neigh_modify exclude molecule all
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neigh_modify delay 0
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# material properties
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fix m1 all property/global youngsModulus peratomtype 7.5e02 7.5e03
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fix m2 all property/global poissonsRatio peratomtype 0.5 0.5
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fix m3 all property/global coefficientRestitution peratomtypepair 2 1e-06 1e-03 1e-03 1e-06
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fix m4 all property/global coefficientFriction peratomtypepair 2 0.3 0.1 0.1 0.3
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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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# bond parameters
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bond_style gran
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# N ro ri lb Sn_bond St_bond s_bend s_tor damp bn bt TYPE_OF_BOND sigma_break tau_break
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bond_coeff 1 ${ro} ${ri} ${lb} ${Sn} ${St} ${Sben} ${Stor} ${damp} 2.65 0.0 1 1e50 1e50
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# particle template, insertion region and bond formation
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fix pts1 all particletemplate/multiplespheres 15485863 atom_type 1 &
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density constant 1098 nspheres 10 ntry 1000000 spheres file ../DEM/data/spheres.txt scale 1 &
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bonded yes/explicit &
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nbond_pairs 10 &
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1 2 &
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2 3 &
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3 4 &
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4 5 &
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5 6 &
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6 7 &
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7 8 &
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8 9 &
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9 10 &
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10 1 &
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bond_type 1
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fix pdd1 all particledistribution/discrete 32452843 1 pts1 1.0
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region bc1 block 0 45 0 22.5 0 22.5 units box
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fix ins1 all insert/pack seed 32452867 distributiontemplate pdd1 &
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maxattempt 10000 insert_every once overlapcheck yes vel constant 0.0 0.0 0.0 &
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region bc1 particles_in_region 1 pos 22.5 11.25 11.25 ntry_mc 100000
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run 1000
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# set timestep
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timestep 0.001
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# check timestep
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fix ts_check all check/timestep/gran 1000 0.1 0.1
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# screen output
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thermo_style custom step atoms numbond
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thermo 10000
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thermo_modify lost ignore norm no
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compute_modify thermo_temp dynamic yes
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dump dmp all custom 1000 ../DEM/post/dump*.liggghts &
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id mol type x y z vx vy vz fx fy fz omegax omegay omegaz radius
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compute b1 all property/local &
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batom1x batom1y batom1z batom2x batom2y batom2z &
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batom1 batom2 btype bforceX bforceY bforceZ
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# x1 y1 z1 x2 y2 z2 id1 id2 bondtype f_bond[1] f_bond[2] f_bond[3]
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dump bnd all local 1000 ../DEM/post/bonds*.bond1 &
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c_b1[1] c_b1[2] c_b1[3] c_b1[4] c_b1[5] c_b1[6] &
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c_b1[7] c_b1[8] c_b1[9] c_b1[10] c_b1[11] c_b1[12]
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run 100000
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write_restart ../DEM/post/restart/liggghts.restart
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