Cleaned up example mdr input files
This commit is contained in:
William Zunker
@ -1,184 +0,0 @@
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############################### SIMULATION SETTINGS ###################################################
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atom_style sphere 1
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atom_modify map array
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comm_modify vel yes
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units si
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newton off
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neighbor 1.0e-3 bin
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neigh_modify every 10 delay 60 check no
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timestep 4e-6
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#processors 2 2 1
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######################### SIMULATION BOUNDING BOX, INTEGRATION, AND, GRAVITY ###########################
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boundary f f f
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read_data spheres200.data
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######################################### ADD DIE AND ATOM PARAMETERIZATION ##############################################
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variable atomRadius equal 0.44e-3*1.25
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variable atomDiameter equal 2*${atomRadius}
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variable atomDensity equal 1560
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variable atomMassAvg equal ${atomDensity}*4.0/3.0*PI*${atomRadius}^3.0
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variable dieRadius equal 4e-3
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variable dieHeight equal 1e-2
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########################### PARTICLE MATERIAL PROPERTIES AND FORCE MODEL ###############################
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pair_style granular
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# mdr = E, nu, Y, gamma, psi_b, CoR
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# linear_history = k_t, x_gamma,t, mu_s
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variable YoungsModulus equal 5e6
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variable YieldStress equal 1.9e5
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variable PoissonsRatio equal 0.4
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variable SurfaceEnergy equal 2
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variable SurfaceEnergyWall equal 0.0
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variable CoR equal 0.5
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variable psi_b equal 0.5
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variable beta equal -ln(${CoR})/sqrt(ln(${CoR})^2+PI^2)
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variable kt equal 2/7*${YoungsModulus}*${atomRadius}
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variable kt_wall equal 2/7*${YoungsModulus}*${atomRadius}
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variable xgammat equal 0.0 #${beta}*sqrt(${atomMassAvg}*${YoungsModulus}*${atomRadius})
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variable mu_s equal 0.7
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variable mu_s_wall equal 0.1
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variable mu_roll equal 0.6
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variable k_roll equal 2.25*${mu_roll}*${mu_roll}*${YoungsModulus}*${atomRadius}
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variable gamma_roll equal 0.0 #${beta}*sqrt(${atomMassAvg}*${YoungsModulus}*${atomRadius})
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pair_coeff * * mdr ${YoungsModulus} ${PoissonsRatio} ${YieldStress} ${SurfaceEnergy} ${psi_b} ${CoR} damping none tangential linear_history ${kt} ${xgammat} ${mu_s} rolling sds ${k_roll} ${gamma_roll} ${mu_roll}
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#pair_coeff * * mdr ${YoungsModulus} ${PoissonsRatio} ${YieldStress} ${SurfaceEnergy} ${psi_b} ${CoR} tangential linear_history ${kt} ${xgammat} ${mu_s} damping none
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#pair_coeff * * mdr ${YoungsModulus} ${PoissonsRatio} ${YieldStress} ${SurfaceEnergy} ${psi_b} ${CoR} tangential linear_nohistory 0.0 0.0 damping none
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######################################### ADD DIE AND PUNCH WALLS ################################################
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variable disp_upper equal 0.0
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variable disp_lower equal 0.0
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variable disp_xPlanePos equal 0.0
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variable disp_xPlaneNeg equal 0.0
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variable wall_contact_string string "granular mdr ${YoungsModulus} ${PoissonsRatio} ${YieldStress} ${SurfaceEnergyWall} ${psi_b} ${CoR} damping none tangential linear_history ${kt_wall} ${xgammat} ${mu_s_wall} rolling sds ${k_roll} ${gamma_roll} ${mu_roll}"
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#variable wall_contact_string string "granular mdr ${YoungsModulus} ${PoissonsRatio} ${YieldStress} ${SurfaceEnergyWall} ${psi_b} ${CoR} tangential linear_history ${kt} ${xgammat} ${mu_s} damping none"
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#variable wall_contact_string string "granular mdr ${YoungsModulus} ${PoissonsRatio} ${YieldStress} ${SurfaceEnergyWall} ${psi_b} ${CoR} tangential linear_nohistory 0.0 0.0 damping none"
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variable dieHeight2 equal 2*${dieHeight}
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region lowerPunch plane 0 0 0 0 0 1 side in units box move NULL NULL v_disp_lower units box
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region upperPunch plane 0 0 ${dieHeight} 0 0 -1 side in move NULL NULL v_disp_upper units box
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region die cylinder z 0 0 ${dieRadius} 0 ${dieHeight2} side in units box
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variable dieRadiusPlus equal ${dieRadius}*1.05
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variable dieRadiusPlusNeg equal -${dieRadiusPlus}
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region xPlanePos plane ${dieRadiusPlus} 0 0 -1 0 0 side in units box move v_disp_xPlanePos NULL NULL units box
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region xPlaneNeg plane ${dieRadiusPlusNeg} 0 0 1 0 0 side in units box move v_disp_xPlaneNeg NULL NULL units box
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fix lowerPunch all wall/gran/region ${wall_contact_string} region lowerPunch contacts
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fix upperPunch all wall/gran/region ${wall_contact_string} region upperPunch contacts
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fix die all wall/gran/region ${wall_contact_string} region die contacts
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fix xPlanePos all wall/gran/region ${wall_contact_string} region xPlanePos contacts
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fix xPlaneNeg all wall/gran/region ${wall_contact_string} region xPlaneNeg contacts
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compute avgPunchForce all reduce sum f_upperPunch[4]
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variable avgPunchForce equal c_avgPunchForce
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compute avgLowerPunchForce all reduce sum f_lowerPunch[4]
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variable avgLowerPunchForce equal c_avgLowerPunchForce
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compute fractureForce all reduce sum f_xPlanePos[2]
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variable fractureForce equal c_fractureForce
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fix print1 all print 1 "${disp_upper} ${avgPunchForce} ${avgLowerPunchForce} ${fractureForce}" file upperPunchDispForce.csv screen no
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fix printSTL all print 1 "${disp_upper} ${disp_lower}" file punch_disp_STL_generation.csv screen no
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##################################### INSERT PARTICLES ####################################################
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fix 1 all nve/sphere
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fix grav all gravity 9.81 vector 0 0 -1
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######################################## SCREEN OUTPUT ####################################################
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#variable ax atom fx/mass
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#variable ay atom fy/mass
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#variable az atom fz/mass
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#variable aMag atom sqrt(v_ax*v_ax+v_ay*v_ay+v_az*v_az)
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#variable force atom sqrt(fx^2+fy^2+fz^2)
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#compute aMagAvg all reduce ave v_aMag
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#variable forceToAccelRatio atom v_force/(mass*v_aMag)
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compute 1 all erotate/sphere
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thermo_style custom dt step atoms ke vol v_disp_upper #c_aMagAvg
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thermo 100
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thermo_modify lost ignore norm no
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##################################### SET UP DUMP OUTPUTS ####################################################
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compute ke all ke/atom
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variable output_rate equal round(1e-3/dt)
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#variable output_rate equal 10
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#dump 1 all custom 1 uniaxialCompression id type f_plane_yz_neg[*]
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#variable az_upperPunch atom f_upperPunch[7]
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#variable afz_upperPunch atom f_upperPunch[4]
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#fix log all print 1 "${delta} ${fx_neg}" file uniaxialCompression.csv title "del,fx_yz_neg" screen no
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run 0
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compute sigmaxx all property/atom d_sigmaxx
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compute sigmayy all property/atom d_sigmayy
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compute sigmazz all property/atom d_sigmazz
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compute Velas all property/atom d_Velas
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compute adhesive_length all property/atom d_adhesive_length
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compute sigmaxx_ave all reduce ave c_sigmaxx
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compute sigmayy_ave all reduce ave c_sigmayy
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compute sigmazz_ave all reduce ave c_sigmazz
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compute Velas_sum all reduce sum c_Velas
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compute adhesive_length_ave all reduce ave c_adhesive_length
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variable sxx_ave equal c_sigmaxx_ave
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variable syy_ave equal c_sigmayy_ave
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variable szz_ave equal c_sigmazz_ave
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variable Vparticles equal c_Velas_sum
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variable adh_length_ave equal c_adhesive_length_ave
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fix log all print 1 "${sxx_ave} ${syy_ave} ${szz_ave} ${Vparticles} ${adh_length_ave}" file avgStresses.csv screen no
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dump dumpParticles all custom ${output_rate} avicelTableting.dump id type mass diameter x y z vx vy vz fx fy fz c_ke c_sigmaxx c_sigmayy c_sigmazz #v_aMag v_force v_forceToAccelRatio
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#dump dumpParticlesVTK all vtk ${output_rate} post/particles_*.vtk id x y z fx fy fz vx vy vz c_ke radius c_sigmaxx c_sigmayy c_sigmazz
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######################################### RUN SIMULATION ##########################################
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variable upper_punch_stroke equal 0.6733*${dieHeight} # 0.6733
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variable vel_upper equal 0.25
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variable settling_steps equal round(0.02/dt)
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variable compression_steps equal 2*round(${upper_punch_stroke}/${vel_upper}/dt)
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variable ejection_steps equal ${compression_steps}
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variable free_float_steps equal round(0.02/dt)
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variable total_steps equal ${settling_steps}+${compression_steps}+${ejection_steps}+${free_float_steps}
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print "Total steps = ${total_steps}"
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##### SETTLING #####
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run ${settling_steps}
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##### Compression & Release #####
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variable punch_frequency equal PI/2/(dt*${compression_steps}/2)
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variable disp_upper equal -${upper_punch_stroke}*sin(${punch_frequency}*elapsed*dt)
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variable short_release equal round(${compression_steps}*1.0)
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run ${short_release} # 189170 upto #
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##### EJECTION #####
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variable punch_frequency equal PI/2/(dt*${ejection_steps})
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variable disp_lower equal ${dieHeight}*sin(${punch_frequency}*elapsed*dt)
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variable disp_upper equal 0.9*v_disp_lower
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run ${ejection_steps}
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##### FREE FLOAT #####
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variable disp_lower equal ${dieHeight}
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variable disp_upper equal ${dieHeight}*0.9
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variable max_disp equal ${dieRadius}*0.75
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#variable disp_xPlanePos equal -${max_disp}*elapsed/${free_float_steps}
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#variable disp_xPlaneNeg equal -v_disp_xPlanePos
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run ${free_float_steps}
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153
examples/granular/in.tableting.200
Normal file
153
examples/granular/in.tableting.200
Normal file
@ -0,0 +1,153 @@
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##################################### SIMULATION SETTINGS ###################################################
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atom_style sphere 1
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atom_modify map array
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comm_modify vel yes
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units si
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newton off
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neighbor 1.0e-3 bin
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neigh_modify every 10 delay 60 check no
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timestep 4e-6
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#processors 2 2 1
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############################## SIMULATION BOUNDING BOX AND INSERT PARTICLES #################################
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boundary f f f
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read_data spheres200.data
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#################################### ADD DIE AND ATOM PARAMETERIZATION ######################################
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variable atomRadius equal 0.44e-3*1.25
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variable atomDiameter equal 2*${atomRadius}
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variable atomDensity equal 1560
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variable atomMassAvg equal ${atomDensity}*4.0/3.0*PI*${atomRadius}^3.0
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variable dieRadius equal 4e-3
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variable dieHeight equal 1e-2
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############################## PARTICLE MATERIAL PROPERTIES AND FORCE MODEL ##################################
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pair_style granular
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# mdr = E, nu, Y, gamma, psi_b, CoR
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variable YoungsModulus equal 5e6
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variable YieldStress equal 1.9e5
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variable PoissonsRatio equal 0.4
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variable SurfaceEnergy equal 2
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variable SurfaceEnergyWall equal 0.0
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variable CoR equal 0.5
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variable psi_b equal 0.5
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# linear_history = k_t, x_gammat, mu_s
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variable kt equal 2/7*${YoungsModulus}*${atomRadius}
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variable kt_wall equal 2/7*${YoungsModulus}*${atomRadius}
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variable xgammat equal 0.0
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variable mu_s equal 0.7
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variable mu_s_wall equal 0.1
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# sds = mu_roll, k_roll, gamma_roll
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variable mu_roll equal 0.6
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variable k_roll equal 2.25*${mu_roll}*${mu_roll}*${YoungsModulus}*${atomRadius}
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variable gamma_roll equal 0.0
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pair_coeff * * mdr ${YoungsModulus} ${PoissonsRatio} ${YieldStress} ${SurfaceEnergy} ${psi_b} ${CoR} tangential linear_history ${kt} ${xgammat} ${mu_s} rolling sds ${k_roll} ${gamma_roll} ${mu_roll} damping none
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######################################### ADD DIE AND PUNCH WALLS ############################################
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variable disp_upper equal 0.0
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variable disp_lower equal 0.0
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variable disp_xPlanePos equal 0.0
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variable disp_xPlaneNeg equal 0.0
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variable wall_contact_string string "granular mdr ${YoungsModulus} ${PoissonsRatio} ${YieldStress} ${SurfaceEnergyWall} ${psi_b} ${CoR} tangential linear_history ${kt_wall} ${xgammat} ${mu_s_wall} rolling sds ${k_roll} ${gamma_roll} ${mu_roll} damping none"
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variable dieHeight2 equal 2*${dieHeight}
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region lowerPunch plane 0 0 0 0 0 1 side in units box move NULL NULL v_disp_lower units box
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region upperPunch plane 0 0 ${dieHeight} 0 0 -1 side in move NULL NULL v_disp_upper units box
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region die cylinder z 0 0 ${dieRadius} 0 ${dieHeight2} side in units box
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variable dieRadiusPlus equal ${dieRadius}*1.05
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variable dieRadiusPlusNeg equal -${dieRadiusPlus}
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fix lowerPunch all wall/gran/region ${wall_contact_string} region lowerPunch contacts
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fix upperPunch all wall/gran/region ${wall_contact_string} region upperPunch contacts
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fix die all wall/gran/region ${wall_contact_string} region die contacts
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compute avgUpperPunchForce all reduce sum f_upperPunch[4]
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variable avgUpperPunchForce equal c_avgUpperPunchForce
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compute avgLowerPunchForce all reduce sum f_lowerPunch[4]
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variable avgLowerPunchForce equal c_avgLowerPunchForce
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fix printFD all print 1 "${disp_upper} ${avgUpperPunchForce} ${avgLowerPunchForce}" file punch_force_disp_tableting200.csv screen no
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##################################### INTEGRATION AND GRAVITY #################################################
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fix 1 all nve/sphere
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fix grav all gravity 9.81 vector 0 0 -1
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########################################### SCREEN OUTPUT ####################################################
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compute 1 all erotate/sphere
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thermo_style custom dt step atoms ke vol v_disp_upper
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thermo 100
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thermo_modify lost ignore norm no
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##################################### SET UP DUMP OUTPUTS ####################################################
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compute ke all ke/atom
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variable output_rate equal round(1e-3/dt)
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run 0
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compute sigmaxx all property/atom d_sigmaxx
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compute sigmayy all property/atom d_sigmayy
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compute sigmazz all property/atom d_sigmazz
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compute Velas all property/atom d_Velas
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compute sigmaxx_ave all reduce ave c_sigmaxx
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compute sigmayy_ave all reduce ave c_sigmayy
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compute sigmazz_ave all reduce ave c_sigmazz
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compute Velas_sum all reduce sum c_Velas
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variable sxx_ave equal c_sigmaxx_ave
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variable syy_ave equal c_sigmayy_ave
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variable szz_ave equal c_sigmazz_ave
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variable Vparticles equal c_Velas_sum
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fix log all print 1 "${sxx_ave} ${syy_ave} ${szz_ave} ${Vparticles}" file average_normal_stresses_tableting200.csv screen no
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dump dumpParticles all custom ${output_rate} tableting200.dump id type mass diameter x y z vx vy vz fx fy fz c_ke c_sigmaxx c_sigmayy c_sigmazz
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#dump dumpParticlesVTK all vtk ${output_rate} post/particles_*.vtk id x y z fx fy fz vx vy vz c_ke radius c_sigmaxx c_sigmayy c_sigmazz
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############################################## RUN SIMULATION #################################################
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variable upper_punch_stroke equal 0.6733*${dieHeight}
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variable vel_upper equal 0.25
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variable settling_steps equal round(0.02/dt)
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variable compression_steps equal 2*round(${upper_punch_stroke}/${vel_upper}/dt)
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variable ejection_steps equal ${compression_steps}
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variable free_float_steps equal round(0.02/dt)
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##### SETTLING #####
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run ${settling_steps}
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##### Compression & Release #####
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variable punch_frequency equal PI/2/(dt*${compression_steps}/2)
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variable disp_upper equal -${upper_punch_stroke}*sin(${punch_frequency}*elapsed*dt)
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variable short_release equal round(${compression_steps}*1.0)
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run ${short_release}
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##### EJECTION #####
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variable punch_frequency equal PI/2/(dt*${ejection_steps})
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variable disp_lower equal ${dieHeight}*sin(${punch_frequency}*elapsed*dt)
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variable disp_upper equal 0.9*v_disp_lower
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run ${ejection_steps}
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##### FREE FLOAT #####
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variable disp_lower equal ${dieHeight}
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variable disp_upper equal ${dieHeight}*0.9
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variable max_disp equal ${dieRadius}*0.75
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run ${free_float_steps}
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@ -9,28 +9,30 @@ neighbor 2 bin
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neigh_modify delay 0
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timestep 1e-6
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######################### SIMULATION BOUNDING BOX, INTEGRATION, AND, GRAVITY ###########################
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##################### SIMULATION BOUNDING BOX, INSERT PARTICLES, AND INTEGRATION #######################
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boundary f f f
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boundary f f f
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read_data spheres12.data
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fix integr all nve/sphere
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fix integr all nve/sphere
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########################### PARTICLE MATERIAL PROPERTIES AND FORCE MODEL ###############################
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variable atomRadius equal 0.5
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pair_style granular
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# mdr = E, nu, Y, gamma, psi_b, CoR
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# linear_history = k_t, x_gamma,t, mu_s
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variable YoungsModulus equal 1e9
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variable PoissonsRatio equal 0.3
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variable YieldStress equal 50e6
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variable SurfaceEnergy equal 0.0
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variable psi_b equal 0.5
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variable CoR equal 0.5
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variable kt equal 2/7*${YoungsModulus}*${atomRadius}
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variable xgammat equal 0.0
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variable mu_s equal 0.5
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# mdr = E, nu, Y, gamma, psi_b, CoR
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variable YoungsModulus equal 1e9
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variable PoissonsRatio equal 0.3
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variable YieldStress equal 50e6
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variable SurfaceEnergy equal 0.0
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variable psi_b equal 0.5
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variable CoR equal 0.5
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# linear_history = k_t, x_gamma,t, mu_s
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variable kt equal 2/7*${YoungsModulus}*${atomRadius}
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variable xgammat equal 0.0
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variable mu_s equal 0.5
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pair_coeff * * mdr ${YoungsModulus} ${PoissonsRatio} ${YieldStress} ${SurfaceEnergy} ${psi_b} ${CoR} tangential linear_history ${kt} ${xgammat} ${mu_s} damping none
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@ -67,7 +69,7 @@ variable plane_xz_neg_force equal c_plane_xz_neg_force
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compute plane_yz_neg_force all reduce sum f_plane_yz_neg[2]
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variable plane_yz_neg_force equal c_plane_yz_neg_force
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fix print1 all print 1 "${plane_disp} ${plane_xy_neg_force} ${plane_xz_neg_force} ${plane_yz_neg_force}" file lammps_macro_force_disp_diff_radii.csv screen no
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fix print1 all print 1 "${plane_disp} ${plane_xy_neg_force} ${plane_xz_neg_force} ${plane_yz_neg_force}" file force_disp_triaxial12.csv screen no
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||||
|
||||
######################################## SCREEN OUTPUT ####################################################
|
||||
|
||||
@ -84,9 +86,9 @@ variable compression_steps equal round(${disp_max}/${ddisp})
|
||||
variable output_rate equal round(${compression_steps}/100)
|
||||
|
||||
##################################### SET UP DUMP OUTPUTS ####################################################
|
||||
|
||||
#dump dmp all vtk ${output_rate} post/triaxial12particles_*.vtk id type mass x y z vx vy vz fx fy fz radius
|
||||
dump dumpParticles all custom ${output_rate} triaxial12particles.dump id type mass x y z vx vy vz fx fy fz radius
|
||||
|
||||
dump dumpParticles all custom ${output_rate} triaxial_compaction_12.dump id type mass x y z vx vy vz fx fy fz radius
|
||||
#dump dmp all vtk ${output_rate} post/triaxial12particles_*.vtk id type mass x y z vx vy vz fx fy fz radius
|
||||
|
||||
#################################### COMPRESS THE PARTICLES ##################################################
|
||||
|
||||
@ -95,6 +97,4 @@ run 0
|
||||
variable plane_disp equal ${ddisp}*elapsed
|
||||
variable plane_disp_neg equal -${ddisp}*elapsed
|
||||
|
||||
run ${compression_steps}
|
||||
|
||||
#################################### UNCOMPRESS THE PARTICLES ################################################
|
||||
run ${compression_steps}
|
||||
Reference in New Issue
Block a user