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131 lines
4.3 KiB
Plaintext
131 lines
4.3 KiB
Plaintext
# RBC in a box sheared by fluid
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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 25 # 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 $G/3.91 # analogous shear modulus of the parallel bond
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variable Ab equal (22/7)*${rb}${rb} # bond area
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variable Sben equal ${Sn}/${Ab} # analogous bending modulus of the parallel bond
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variable Stor equal ${St}/${Ab} # 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 and processors
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units micro
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processors 1 1 2
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# read the restart file
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read_restart ../DEM/post/restart/liggghts.restart
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# neighbors
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neighbor 1.0 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 7.5e04
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fix m2 all property/global poissonsRatio peratomtype 0.5 0.18
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fix m3 all property/global coefficientRestitution peratomtypepair 2 0.9 0.1 0.1 0.9
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fix m4 all property/global coefficientFriction peratomtypepair 2 0.3 0.3 0.3 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} 3.0 1.0 1.0 1e50 1e50
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# reset timestep after reading the restart file
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reset_timestep 0
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timestep 0.1
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# cfd coupling
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fix cfd all couple/cfd couple_every 10 mpi
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fix cfd2 all couple/cfd/force
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# apply nve integration to all constituent spheres - single sphere treatment
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fix integr all nve
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compute unwra all property/atom xu yu zu
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# variables for data processing
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variable x1 equal c_unwra[1][1]
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variable y1 equal c_unwra[1][2]
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variable z1 equal c_unwra[1][3]
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variable x2 equal c_unwra[2][1]
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variable y2 equal c_unwra[2][2]
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variable z2 equal c_unwra[2][3]
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variable x3 equal c_unwra[3][1]
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variable y3 equal c_unwra[3][2]
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variable z3 equal c_unwra[3][3]
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variable x4 equal c_unwra[4][1]
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variable y4 equal c_unwra[4][2]
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variable z4 equal c_unwra[4][3]
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variable x5 equal c_unwra[5][1]
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variable y5 equal c_unwra[5][2]
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variable z5 equal c_unwra[5][3]
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variable x6 equal c_unwra[6][1]
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variable y6 equal c_unwra[6][2]
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variable z6 equal c_unwra[6][3]
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variable x7 equal c_unwra[7][1]
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variable y7 equal c_unwra[7][2]
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variable z7 equal c_unwra[7][3]
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variable x8 equal c_unwra[8][1]
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variable y8 equal c_unwra[8][2]
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variable z8 equal c_unwra[8][3]
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variable x9 equal c_unwra[9][1]
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variable y9 equal c_unwra[9][2]
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variable z9 equal c_unwra[9][3]
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variable x10 equal c_unwra[10][1]
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variable y10 equal c_unwra[10][2]
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variable z10 equal c_unwra[10][3]
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variable time equal step*dt
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fix extra1 all print 10 "${time} ${x1} ${y1} ${z1} ${x2} ${y2} ${z2} ${x3} ${y3} ${z3} ${x4} ${y4} ${z4} ${x5} ${y5} ${z5} ${x6} ${y6} ${z6} ${x7} ${y7} ${z7} ${x8} ${y8} ${z8} ${x9} ${y9} ${z9} ${x10} ${y10} ${z10}" &
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file ../DEM/post/particle_position.txt screen no
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# check timestep
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fix ts_check all check/timestep/gran 1 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 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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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 1
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