# This is the initial input file for the DEM LIGGGHTS simulation atom_style granular atom_modify map array boundary f f f newton off communicate single vel yes units si processors 1 32 1 region reg block -5.000 3.200 -3.500 10.8000 -3.000 3.000 units box create_box 11 reg neighbor 0.005 bin neigh_modify delay 0 timestep 1e-6 fix gravi all gravity 9.81 vector -1.0 0.0 0.0 pair_style gran model hertz tangential history cohesion washino/capillary/viscous pair_coeff * * # Material properties required for new pair styles fix m1 all property/global youngsModulus peratomtype 5000000.000000 5000000.000000 5000000.000000 5000000.000000 5000000.000000 5000000.000000 5000000.000000 5000000.000000 5000000.000000 5000000.000000 990000000.000000 fix m2 all property/global poissonsRatio peratomtype 0.400000 0.400000 0.400000 0.400000 0.400000 0.400000 0.400000 0.400000 0.400000 0.400000 0.400000 fix m3 all property/global coefficientRestitution peratomtypepair 11 0.400000 0.400000 0.400000 0.400000 0.400000 0.400000 0.400000 0.400000 0.400000 0.400000 0.400000 0.400000 0.400000 0.400000 0.400000 0.400000 0.400000 0.400000 0.400000 0.400000 0.400000 0.400000 0.400000 0.400000 0.400000 0.400000 0.400000 0.400000 0.400000 0.400000 0.400000 0.400000 0.400000 0.400000 0.400000 0.400000 0.400000 0.400000 0.400000 0.400000 0.400000 0.400000 0.400000 0.400000 0.400000 0.400000 0.400000 0.400000 0.400000 0.400000 0.400000 0.400000 0.400000 0.400000 0.400000 0.400000 0.400000 0.400000 0.400000 0.400000 0.400000 0.400000 0.400000 0.400000 0.400000 0.400000 0.400000 0.400000 0.400000 0.400000 0.400000 0.400000 0.400000 0.400000 0.400000 0.400000 0.400000 0.400000 0.400000 0.400000 0.400000 0.400000 0.400000 0.400000 0.400000 0.400000 0.400000 0.400000 0.400000 0.400000 0.400000 0.400000 0.400000 0.400000 0.400000 0.400000 0.400000 0.400000 0.400000 0.400000 0.400000 0.400000 0.400000 0.400000 0.400000 0.400000 0.400000 0.400000 0.400000 0.400000 0.400000 0.400000 0.400000 0.400000 0.400000 0.400000 0.400000 0.400000 0.400000 0.400000 0.400000 fix m4 all property/global coefficientFriction peratomtypepair 11 0.500000 0.500000 0.500000 0.500000 0.500000 0.500000 0.500000 0.500000 0.500000 0.500000 0.500000 0.500000 0.500000 0.500000 0.500000 0.500000 0.500000 0.500000 0.500000 0.500000 0.500000 0.500000 0.500000 0.500000 0.500000 0.500000 0.500000 0.500000 0.500000 0.500000 0.500000 0.500000 0.500000 0.500000 0.500000 0.500000 0.500000 0.500000 0.500000 0.500000 0.500000 0.500000 0.500000 0.500000 0.500000 0.500000 0.500000 0.500000 0.500000 0.500000 0.500000 0.500000 0.500000 0.500000 0.500000 0.500000 0.500000 0.500000 0.500000 0.500000 0.500000 0.500000 0.500000 0.500000 0.500000 0.500000 0.500000 0.500000 0.500000 0.500000 0.500000 0.500000 0.500000 0.500000 0.500000 0.500000 0.500000 0.500000 0.500000 0.500000 0.500000 0.500000 0.500000 0.500000 0.500000 0.500000 0.500000 0.500000 0.500000 0.500000 0.500000 0.500000 0.500000 0.500000 0.500000 0.500000 0.500000 0.500000 0.500000 0.500000 0.500000 0.500000 0.500000 0.500000 0.500000 0.500000 0.500000 0.500000 0.500000 0.500000 0.500000 0.500000 0.500000 0.500000 0.500000 0.500000 0.500000 0.500000 0.500000 0.500000 0.500000 fix m5 all property/global coefficientRollingFriction peratomtypepair 11 0.020000 0.020000 0.020000 0.020000 0.020000 0.020000 0.020000 0.020000 0.020000 0.020000 0.020000 0.020000 0.020000 0.020000 0.020000 0.020000 0.020000 0.020000 0.020000 0.020000 0.020000 0.020000 0.020000 0.020000 0.020000 0.020000 0.020000 0.020000 0.020000 0.020000 0.020000 0.020000 0.020000 0.020000 0.020000 0.020000 0.020000 0.020000 0.020000 0.020000 0.020000 0.020000 0.020000 0.020000 0.020000 0.020000 0.020000 0.020000 0.020000 0.020000 0.020000 0.020000 0.020000 0.020000 0.020000 0.020000 0.020000 0.020000 0.020000 0.020000 0.020000 0.020000 0.020000 0.020000 0.020000 0.020000 0.020000 0.020000 0.020000 0.020000 0.020000 0.020000 0.020000 0.020000 0.020000 0.020000 0.020000 0.020000 0.020000 0.020000 0.020000 0.020000 0.020000 0.020000 0.020000 0.020000 0.020000 0.020000 0.020000 0.020000 0.020000 0.020000 0.020000 0.020000 0.020000 0.020000 0.020000 0.020000 0.020000 0.020000 0.020000 0.020000 0.020000 0.020000 0.020000 0.020000 0.020000 0.020000 0.020000 0.020000 0.020000 0.020000 0.020000 0.020000 0.020000 0.020000 0.020000 0.020000 0.020000 0.020000 0.020000 fix 11 all property/global minSeparationDistanceRatio scalar 1.01 fix 12 all property/global maxSeparationDistanceRatio scalar 1.1 fix 21 all property/global surfaceLiquidContentInitial scalar 0.800000 fix 22 all property/global surfaceTension scalar 0.07275 fix 31 all property/global fluidViscosity scalar 0.150000 fix 32 all property/global contactAngle peratomtype 15 15 15 15 15 15 15 15 15 15 15 #~~~~~~~~~~~~~~~~~~~ BIG BIN ~~~~~~~~~~~~~~~~ region GridBinBig1 block -5.000 3.200 2.000 4.000 -3.000 3.000 units box region GridBinBig2 block -5.000 3.200 4.000 7.000 -3.000 3.000 units box # Cad import and meshing fix CercleE all mesh/surface file CercleEn.stl type 11 scale 0.001 rotate axis 0 0 1 angle 3.57 fix Cylindre all mesh/surface file Cylindre23.stl type 11 scale 0.001 rotate axis 0 0 1 angle 3.57 curvature 1e-5 fix Sortie all mesh/surface file sortie21.stl type 11 scale 0.001 rotate axis 0 0 1 angle 3.57 curvature 1e-5 fix Cercles all mesh/surface file Cercles.stl type 11 scale 0.001 rotate axis 0 0 1 angle 3.57 curvature 1e-5 #fix Entree all mesh/surface file EN22.stl type 11 scale 0.001 rotate axis 0 0 1 angle 3.57 curvature 1e-5 #fix in all mesh/surface file IN20.stl type 11 scale 0.001 rotate axis 0 0 1 angle 3.57 curvature 1e-5 fix granwalls all wall/gran model hertz tangential history mesh n_meshes 4 meshes Cercles CercleE Cylindre Sortie #Rotating the impeller #Region and insertion fix ins_mesh all mesh/surface/planar file insertion30.stl type 11 scale 0.001 rotate axis 0 0 1 angle 3.57 fix ts_check all check/timestep/gran 1000 0.1 0.1 # Grouping group type1_ type 1 group type2_ type 2 group type3_ type 3 group type4_ type 4 group type5_ type 5 group type6_ type 6 group type7_ type 7 group type8_ type 8 group type9_ type 9 group type10_ type 10 # Particle Specification fix pts1 type1_ particletemplate/sphere 11959 atom_type 1 density constant 950 radius constant 0.000500 fix pts2 type2_ particletemplate/sphere 43991 atom_type 2 density constant 950 radius constant 0.001111 fix pts3 type3_ particletemplate/sphere 82499 atom_type 3 density constant 950 radius constant 0.001722 fix pts4 type4_ particletemplate/sphere 42131 atom_type 4 density constant 950 radius constant 0.002333 fix pts5 type5_ particletemplate/sphere 14107 atom_type 5 density constant 950 radius constant 0.002944 fix pts6 type6_ particletemplate/sphere 41179 atom_type 6 density constant 950 radius constant 0.003556 fix pts7 type7_ particletemplate/sphere 73673 atom_type 7 density constant 950 radius constant 0.004167 fix pts8 type8_ particletemplate/sphere 82141 atom_type 8 density constant 950 radius constant 0.004778 fix pts9 type9_ particletemplate/sphere 67883 atom_type 9 density constant 950 radius constant 0.005389 fix pts10 type10_ particletemplate/sphere 59183 atom_type 10 density constant 950 radius constant 0.006000 fix pdd1 all particledistribution/discrete/numberbased 2239201 10 pts1 0.010431597241446577 pts2 0.0205703710545299 pts3 0.03694757035436563 pts4 0.06044802113106303 pts5 0.09008048909864252 pts6 0.12227335456982469 pts7 0.15117687479336947 pts8 0.17025165535290734 pts9 0.17464243079178912 pts10 0.16317763561206178 #Partcle Distribution for insertion # Particle insertion fix ins all insert/stream seed 1890851 distributiontemplate pdd1 nparticles 50000 particlerate 100000 insert_every 5000 overlapcheck yes all_in no vel constant -5 0 0 insertion_face ins_mesh #extrude_length 0.3 # Calculating particle wall collisions compute pwc all wall/gran/local id vel force contactArea delta # Calculate particle wall collision compute ppc all pair/gran/local id vel force contactArea delta # Calculate particle-particle collision # Apply nve integration to all particles that are inserted as single particles fix integ all nve/sphere # Collecting particle collision data #fix fppacc all property/atom fppacc scalar yes yes yes 0 # Collecting particle-particle collision data compute cc_1 type1_ contact/atom compute cc_2 type2_ contact/atom compute cc_3 type3_ contact/atom compute cc_4 type4_ contact/atom compute cc_5 type5_ contact/atom compute cc_6 type6_ contact/atom compute cc_7 type7_ contact/atom compute cc_8 type8_ contact/atom compute cc_9 type9_ contact/atom compute cc_10 type10_ contact/atom # ***********variables************* # ***********grid No1************* variable Xveltype1_1 equal vcm(type1_,x,GridBinBig1) variable Xveltype2_1 equal vcm(type2_,x,GridBinBig1) variable Xveltype3_1 equal vcm(type3_,x,GridBinBig1) variable Xveltype4_1 equal vcm(type4_,x,GridBinBig1) variable Xveltype5_1 equal vcm(type5_,x,GridBinBig1) variable Yveltype1_1 equal vcm(type1_,y,GridBinBig1) variable Yveltype2_1 equal vcm(type2_,y,GridBinBig1) variable Yveltype3_1 equal vcm(type3_,y,GridBinBig1) variable Yveltype4_1 equal vcm(type4_,y,GridBinBig1) variable Yveltype5_1 equal vcm(type5_,y,GridBinBig1) variable Zveltype1_1 equal vcm(type1_,z,GridBinBig1) variable Zveltype2_1 equal vcm(type2_,z,GridBinBig1) variable Zveltype3_1 equal vcm(type3_,z,GridBinBig1) variable Zveltype4_1 equal vcm(type4_,z,GridBinBig1) variable Zveltype5_1 equal vcm(type5_,z,GridBinBig1) # ***********grid No2************* variable Xveltype1_2 equal vcm(type1_,x,GridBinBig2) variable Xveltype2_2 equal vcm(type2_,x,GridBinBig2) variable Xveltype3_2 equal vcm(type3_,x,GridBinBig2) variable Xveltype4_2 equal vcm(type4_,x,GridBinBig2) variable Xveltype5_2 equal vcm(type5_,x,GridBinBig2) variable Yveltype1_2 equal vcm(type1_,y,GridBinBig2) variable Yveltype2_2 equal vcm(type2_,y,GridBinBig2) variable Yveltype3_2 equal vcm(type3_,y,GridBinBig2) variable Yveltype4_2 equal vcm(type4_,y,GridBinBig2) variable Yveltype5_2 equal vcm(type5_,y,GridBinBig2) variable Zveltype1_2 equal vcm(type1_,z,GridBinBig2) variable Zveltype2_2 equal vcm(type2_,z,GridBinBig2) variable Zveltype3_2 equal vcm(type3_,z,GridBinBig2) variable Zveltype4_2 equal vcm(type4_,z,GridBinBig2) variable Zveltype5_2 equal vcm(type5_,z,GridBinBig2) # ***********All************* variable XvelAll_1 equal vcm(all,x,GridBinBig1) variable YvelAll_1 equal vcm(all,y,GridBinBig1) variable ZvelAll_1 equal vcm(all,z,GridBinBig1) variable XvelAll_2 equal vcm(all,x,GridBinBig2) variable YvelAll_2 equal vcm(all,y,GridBinBig2) variable ZvelAll_2 equal vcm(all,z,GridBinBig2) variable Noftype1Big1 equal count(type1_,GridBinBig1) variable Noftype2Big1 equal count(type2_,GridBinBig1) variable Noftype3Big1 equal count(type3_,GridBinBig1) variable Noftype4Big1 equal count(type4_,GridBinBig1) variable Noftype5Big1 equal count(type5_,GridBinBig1) variable NofAtomsBig1 equal count(all,GridBinBig1) variable Noftype1Big2 equal count(type1_,GridBinBig2) variable Noftype2Big2 equal count(type2_,GridBinBig2) variable Noftype3Big2 equal count(type3_,GridBinBig2) variable Noftype4Big2 equal count(type4_,GridBinBig2) variable Noftype5Big2 equal count(type5_,GridBinBig2) variable NofAtomsBig2 equal count(all,GridBinBig2) #********** Dump files configurationn*************** run 1 #dump dmp all custom/vtk 10000 VTK/cohesion_*.vtk id type type x y z ix iy iz vx vy vz fx fy fz omegax omegay omegaz radius #dump dump all mesh/stl 10000 VTK/dump*.stl # End run run 600000 upto #dump myDump2 all local 100000 post2481/coll*.csv c_pwc[1] c_pwc[2] c_pwc[3] #dump myDump3 all local 100000 post2481/pcoll*.csv c_ppc[1] c_ppc[2] c_ppc[3] c_ppc[4] dump myDump all custom 50000 post2481/dump*.csv id type x y z ix iy iz vx vy vz fx fy fz c_cc_1 c_cc_2 c_cc_3 c_cc_4 c_cc_5 c_cc_6 c_cc_7 c_cc_8 c_cc_9 c_cc_10 radius fix Results11 all print 100000 "${NofAtomsBig1}, ${XvelAll_1}, ${YvelAll_1}, ${ZvelAll_1}, ${Noftype1Big1}, ${Noftype2Big1}, ${Noftype3Big1}, ${Noftype4Big1}, ${Noftype5Big1}, ${Xveltype1_1}, ${Xveltype2_1}, ${Xveltype3_1}, ${Xveltype4_1}, ${Xveltype5_1}, ${Yveltype1_1}, ${Yveltype2_1}, ${Yveltype3_1}, ${Yveltype4_1}, ${Yveltype5_1}, ${Zveltype1_1}, ${Zveltype2_1}, ${Zveltype3_1}, ${Zveltype4_1}, ${Zveltype5_1}, " file post2481/GridBinBig1.csv screen no title "NofAtomsBig1, XvelAll_11, YvelAll_11, ZvelAll_11 Noftype1, Noftype2, Noftype3, Noftype4, Noftype5, TotAtoms, X_type1, X_type2, X_type3, X_type4, X_type5, Y_type1, Y_type2, Y_type3, Y_type4, Y_type5, Z_type1, Z_type2, Z_type3, Z_type4, Z_type5" fix Results12 all print 100000 "${NofAtomsBig2}, ${XvelAll_2}, ${YvelAll_2}, ${ZvelAll_2}, ${Noftype1Big2}, ${Noftype2Big2}, ${Noftype3Big2}, ${Noftype4Big2}, ${Noftype5Big2}, ${Xveltype1_2}, ${Xveltype2_2}, ${Xveltype3_2}, ${Xveltype4_2}, ${Xveltype5_2}, ${Yveltype1_2}, ${Yveltype2_2}, ${Yveltype3_2}, ${Yveltype4_2}, ${Yveltype5_2}, ${Zveltype1_2}, ${Zveltype2_2}, ${Zveltype3_2}, ${Zveltype4_2}, ${Zveltype5_2}, " file post2481/GridBinBig2.csv screen no title "NofAtomsBig2, XvelAll_22, YvelAll_22, ZvelAll_22 Noftype1, Noftype2, Noftype3, Noftype4, Noftype5, TotAtoms, X_type1, X_type2, X_type3, X_type4, X_type5, Y_type1, Y_type2, Y_type3, Y_type4, Y_type5, Z_type1, Z_type2, Z_type3, Z_type4, Z_type5" unfix ins fix MoveCercleE all move/mesh mesh Cercles rotate origin 0 0 0 axis -0.06226 0.99805 0. period 1.875000 #Rotation of drum fix MoveCylindre all move/mesh mesh Cylindre rotate origin 0 0 0 axis -0.06226 0.99805 0 period 1.875000 #Rotation of front face run 3000000