Cleaning up MDR files
This commit is contained in:
jtclemm
@ -178,6 +178,8 @@ two-part series :ref:`Zunker and Kamrin Part I <Zunker2024I>` and
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:ref:`Zunker and Kamrin Part II <Zunker2024II>`. Further development
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and demonstrations of its application to industrially relevant powder
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compaction processes are presented in :ref:`Zunker et al. <Zunker2025>`.
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If you use the *mdr* normal model, is recommended you use the *mdr* damping model
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described below.
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The model requires the following inputs:
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@ -220,12 +222,6 @@ effective stiffness related to the bulk elastic response.
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Here, :math:`\kappa = E/(3(1-2\nu))` is the bulk modulus and
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:math:`R_\textrm{min}` is the radius of the smallest particle.
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.. note::
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The *mdr* model requires some specific settings to function properly,
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please read the following text carefully to ensure all requirements are
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followed.
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The *atom_style* must be set to *sphere 1* to enable dynamic particle
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radii. The *mdr* model is designed to respect the incompressibility of
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plastic deformation and inherently tracks free surface displacements
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@ -49,7 +49,10 @@ 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} ${damp} damping mdr 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} ${damp} &
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damping mdr &
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tangential linear_history ${kt} ${xgammat} ${mu_s} &
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rolling sds ${k_roll} ${gamma_roll} ${mu_roll}
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######################################### ADD DIE AND PUNCH WALLS ############################################
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@ -73,7 +76,7 @@ variable avgUpperPunchForce equal c_avgUpperPunchForce
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compute avgLowerPunchForce all reduce sum f_lowerPunch[4]
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variable avgLowerPunchForce equal c_avgLowerPunchForce
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fix printFD all print 1 "${disp_upper} ${avgUpperPunchForce} ${avgLowerPunchForce}" file punch_force_disp_tableting200.csv screen no
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#fix printFD all print 1 "${disp_upper} ${avgUpperPunchForce} ${avgLowerPunchForce}" file punch_force_disp_tableting200.csv screen no
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##################################### INTEGRATION AND GRAVITY #################################################
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@ -109,8 +112,8 @@ variable syy_ave equal c_sigmayy_ave
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variable szz_ave equal c_sigmazz_ave
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variable Vparticles equal c_Velas_sum
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fix log all print 1 "${sxx_ave} ${syy_ave} ${szz_ave} ${Vparticles}" file average_normal_stresses_tableting200.csv screen no
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dump dumpParticles all custom ${output_rate} tableting200.dump id type mass diameter x y z vx vy vz fx fy fz c_ke c_sigmaxx c_sigmayy c_sigmazz
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#fix log all print 1 "${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 ${output_rate} post/particles_*.vtk id x y z fx fy fz vx vy vz c_ke radius c_sigmaxx c_sigmayy c_sigmazz
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############################################## RUN SIMULATION #################################################
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@ -37,7 +37,9 @@ variable kt equal 2/7*${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} ${damp} damping mdr tangential linear_history ${kt} ${xgammat} ${mu_s}
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pair_coeff * * mdr ${YoungsModulus} ${PoissonsRatio} ${YieldStress} ${SurfaceEnergy} ${psi_b} ${damp} &
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damping mdr &
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tangential linear_history ${kt} ${xgammat} ${mu_s}
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######################################### ADD IN PLANES ################################################
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@ -72,7 +74,7 @@ variable plane_xz_neg_force equal c_plane_xz_neg_force
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compute plane_yz_neg_force all reduce sum f_plane_yz_neg[2]
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variable plane_yz_neg_force equal c_plane_yz_neg_force
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fix print1 all print 1 "${plane_disp} ${plane_xy_neg_force} ${plane_xz_neg_force} ${plane_yz_neg_force}" file force_disp_triaxial12.csv screen no
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#fix print1 all print 1 "${plane_disp} ${plane_xy_neg_force} ${plane_xz_neg_force} ${plane_yz_neg_force}" file force_disp_triaxial12.csv screen no
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######################################## SCREEN OUTPUT ####################################################
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@ -90,7 +92,7 @@ variable output_rate equal round(${compression_steps}/100)
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##################################### SET UP DUMP OUTPUTS ####################################################
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dump dumpParticles all custom ${output_rate} triaxial_compaction_12.dump id type mass x y z vx vy vz fx fy fz radius
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#dump dumpParticles all custom ${output_rate} triaxial_compaction_12.dump id type mass x y z vx vy vz fx fy fz radius
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#dump dmp all vtk ${output_rate} post/triaxial12particles_*.vtk id type mass x y z vx vy vz fx fy fz radius
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#################################### COMPRESS THE PARTICLES ##################################################
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@ -101,7 +103,7 @@ run 0
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compute Ac_1_12 particles_1_12 pair/local p13 cutoff radius
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compute Ac_1_12_sum particles_1_12 reduce sum c_Ac_1_12 inputs local
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variable Ac_1_12 equal c_Ac_1_12_sum
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fix logArea all print 100 "${plane_disp} ${Ac_1_12}" file pair_1_12_contact_area_triaxial12.csv screen no
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#fix logArea all print 100 "${plane_disp} ${Ac_1_12}" file pair_1_12_contact_area_triaxial12.csv screen no
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variable plane_disp equal ${ddisp}*elapsed
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variable plane_disp_neg equal -${ddisp}*elapsed
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791
examples/granular/log.4Feb25.tableting.200.g++.1
Normal file
791
examples/granular/log.4Feb25.tableting.200.g++.1
Normal file
@ -0,0 +1,791 @@
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LAMMPS (4 Feb 2025 - Development - patch_4Feb2025-581-g384d7f446b-modified)
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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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Reading data file ...
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orthogonal box = (-0.005 -0.005 -0.001) to (0.005 0.005 0.02)
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1 by 1 by 1 MPI processor grid
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reading atoms ...
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200 atoms
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read_data CPU = 0.004 seconds
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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 atomDiameter equal 2*0.00055
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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 atomMassAvg equal 1560*4.0/3.0*PI*${atomRadius}^3.0
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variable atomMassAvg equal 1560*4.0/3.0*PI*0.00055^3.0
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variable dieRadius equal 4e-3
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variable dieHeight equal 1e-2
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############################## PARTICLE MATERIAL PROPERTIES AND FORCE MODEL ##################################
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pair_style granular
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# mdr = E, nu, Y, gamma, psi_b, damp
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variable YoungsModulus equal 5e6
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variable YieldStress equal 1.9e5
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variable PoissonsRatio equal 0.4
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variable SurfaceEnergy equal 2
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variable SurfaceEnergyWall equal 0.0
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variable damp equal 1.0
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variable psi_b equal 0.5
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# linear_history = k_t, x_gammat, mu_s
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variable kt equal 2/7*${YoungsModulus}*${atomRadius}
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variable kt equal 2/7*5000000*${atomRadius}
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variable kt equal 2/7*5000000*0.00055
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variable kt_wall equal 2/7*${YoungsModulus}*${atomRadius}
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variable kt_wall equal 2/7*5000000*${atomRadius}
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variable kt_wall equal 2/7*5000000*0.00055
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variable xgammat equal 1.0
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variable mu_s equal 0.7
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variable mu_s_wall equal 0.1
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# sds = mu_roll, k_roll, gamma_roll
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variable mu_roll equal 0.6
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variable k_roll equal 2.25*${mu_roll}*${mu_roll}*${YoungsModulus}*${atomRadius}
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variable k_roll equal 2.25*0.6*${mu_roll}*${YoungsModulus}*${atomRadius}
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variable k_roll equal 2.25*0.6*0.6*${YoungsModulus}*${atomRadius}
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variable k_roll equal 2.25*0.6*0.6*5000000*${atomRadius}
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variable k_roll equal 2.25*0.6*0.6*5000000*0.00055
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variable gamma_roll equal 0.0
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pair_coeff * * mdr ${YoungsModulus} ${PoissonsRatio} ${YieldStress} ${SurfaceEnergy} ${psi_b} ${damp} damping mdr tangential linear_history ${kt} ${xgammat} ${mu_s} rolling sds ${k_roll} ${gamma_roll} ${mu_roll}
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pair_coeff * * mdr 5000000 ${PoissonsRatio} ${YieldStress} ${SurfaceEnergy} ${psi_b} ${damp} damping mdr tangential linear_history ${kt} ${xgammat} ${mu_s} rolling sds ${k_roll} ${gamma_roll} ${mu_roll}
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pair_coeff * * mdr 5000000 0.4 ${YieldStress} ${SurfaceEnergy} ${psi_b} ${damp} damping mdr tangential linear_history ${kt} ${xgammat} ${mu_s} rolling sds ${k_roll} ${gamma_roll} ${mu_roll}
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pair_coeff * * mdr 5000000 0.4 190000 ${SurfaceEnergy} ${psi_b} ${damp} damping mdr tangential linear_history ${kt} ${xgammat} ${mu_s} rolling sds ${k_roll} ${gamma_roll} ${mu_roll}
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pair_coeff * * mdr 5000000 0.4 190000 2 ${psi_b} ${damp} damping mdr tangential linear_history ${kt} ${xgammat} ${mu_s} rolling sds ${k_roll} ${gamma_roll} ${mu_roll}
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pair_coeff * * mdr 5000000 0.4 190000 2 0.5 ${damp} damping mdr tangential linear_history ${kt} ${xgammat} ${mu_s} rolling sds ${k_roll} ${gamma_roll} ${mu_roll}
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pair_coeff * * mdr 5000000 0.4 190000 2 0.5 1 damping mdr tangential linear_history ${kt} ${xgammat} ${mu_s} rolling sds ${k_roll} ${gamma_roll} ${mu_roll}
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pair_coeff * * mdr 5000000 0.4 190000 2 0.5 1 damping mdr tangential linear_history 785.714285714286 ${xgammat} ${mu_s} rolling sds ${k_roll} ${gamma_roll} ${mu_roll}
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pair_coeff * * mdr 5000000 0.4 190000 2 0.5 1 damping mdr tangential linear_history 785.714285714286 1 ${mu_s} rolling sds ${k_roll} ${gamma_roll} ${mu_roll}
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pair_coeff * * mdr 5000000 0.4 190000 2 0.5 1 damping mdr tangential linear_history 785.714285714286 1 0.7 rolling sds ${k_roll} ${gamma_roll} ${mu_roll}
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pair_coeff * * mdr 5000000 0.4 190000 2 0.5 1 damping mdr tangential linear_history 785.714285714286 1 0.7 rolling sds 2227.5 ${gamma_roll} ${mu_roll}
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pair_coeff * * mdr 5000000 0.4 190000 2 0.5 1 damping mdr tangential linear_history 785.714285714286 1 0.7 rolling sds 2227.5 0 ${mu_roll}
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pair_coeff * * mdr 5000000 0.4 190000 2 0.5 1 damping mdr tangential linear_history 785.714285714286 1 0.7 rolling sds 2227.5 0 0.6
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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 wall_contact_string string "granular mdr ${YoungsModulus} ${PoissonsRatio} ${YieldStress} ${SurfaceEnergyWall} ${psi_b} ${damp} damping mdr tangential linear_history ${kt_wall} ${xgammat} ${mu_s_wall} rolling sds ${k_roll} ${gamma_roll} ${mu_roll}"
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granular mdr 5000000 ${PoissonsRatio} ${YieldStress} ${SurfaceEnergyWall} ${psi_b} ${damp} damping mdr tangential linear_history ${kt_wall} ${xgammat} ${mu_s_wall} rolling sds ${k_roll} ${gamma_roll} ${mu_roll}
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granular mdr 5000000 0.4 ${YieldStress} ${SurfaceEnergyWall} ${psi_b} ${damp} damping mdr tangential linear_history ${kt_wall} ${xgammat} ${mu_s_wall} rolling sds ${k_roll} ${gamma_roll} ${mu_roll}
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granular mdr 5000000 0.4 190000 ${SurfaceEnergyWall} ${psi_b} ${damp} damping mdr tangential linear_history ${kt_wall} ${xgammat} ${mu_s_wall} rolling sds ${k_roll} ${gamma_roll} ${mu_roll}
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granular mdr 5000000 0.4 190000 0 ${psi_b} ${damp} damping mdr tangential linear_history ${kt_wall} ${xgammat} ${mu_s_wall} rolling sds ${k_roll} ${gamma_roll} ${mu_roll}
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granular mdr 5000000 0.4 190000 0 0.5 ${damp} damping mdr tangential linear_history ${kt_wall} ${xgammat} ${mu_s_wall} rolling sds ${k_roll} ${gamma_roll} ${mu_roll}
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granular mdr 5000000 0.4 190000 0 0.5 1 damping mdr tangential linear_history ${kt_wall} ${xgammat} ${mu_s_wall} rolling sds ${k_roll} ${gamma_roll} ${mu_roll}
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granular mdr 5000000 0.4 190000 0 0.5 1 damping mdr tangential linear_history 785.714285714286 ${xgammat} ${mu_s_wall} rolling sds ${k_roll} ${gamma_roll} ${mu_roll}
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granular mdr 5000000 0.4 190000 0 0.5 1 damping mdr tangential linear_history 785.714285714286 1 ${mu_s_wall} rolling sds ${k_roll} ${gamma_roll} ${mu_roll}
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granular mdr 5000000 0.4 190000 0 0.5 1 damping mdr tangential linear_history 785.714285714286 1 0.1 rolling sds ${k_roll} ${gamma_roll} ${mu_roll}
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granular mdr 5000000 0.4 190000 0 0.5 1 damping mdr tangential linear_history 785.714285714286 1 0.1 rolling sds 2227.5 ${gamma_roll} ${mu_roll}
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granular mdr 5000000 0.4 190000 0 0.5 1 damping mdr tangential linear_history 785.714285714286 1 0.1 rolling sds 2227.5 0 ${mu_roll}
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granular mdr 5000000 0.4 190000 0 0.5 1 damping mdr tangential linear_history 785.714285714286 1 0.1 rolling sds 2227.5 0 0.6
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variable dieHeight2 equal 2*${dieHeight}
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variable dieHeight2 equal 2*0.01
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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 upperPunch plane 0 0 0.01 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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region die cylinder z 0 0 0.004 0 ${dieHeight2} side in units box
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region die cylinder z 0 0 0.004 0 0.02 side in units box
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fix lowerPunch all wall/gran/region ${wall_contact_string} region lowerPunch contacts
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fix lowerPunch all wall/gran/region granular mdr 5000000 0.4 190000 0 0.5 1 damping mdr tangential linear_history 785.714285714286 1 0.1 rolling sds 2227.5 0 0.6 region lowerPunch contacts
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fix upperPunch all wall/gran/region ${wall_contact_string} region upperPunch contacts
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fix upperPunch all wall/gran/region granular mdr 5000000 0.4 190000 0 0.5 1 damping mdr tangential linear_history 785.714285714286 1 0.1 rolling sds 2227.5 0 0.6 region upperPunch contacts
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fix die all wall/gran/region ${wall_contact_string} region die contacts
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fix die all wall/gran/region granular mdr 5000000 0.4 190000 0 0.5 1 damping mdr tangential linear_history 785.714285714286 1 0.1 rolling sds 2227.5 0 0.6 region die contacts
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compute avgUpperPunchForce all reduce sum f_upperPunch[4]
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variable avgUpperPunchForce equal c_avgUpperPunchForce
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compute avgLowerPunchForce all reduce sum f_lowerPunch[4]
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variable avgLowerPunchForce equal c_avgLowerPunchForce
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#fix printFD all print 1 "${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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CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE
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Your simulation uses code contributions which should be cited:
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- MDR contact model command: (i) https://doi.org/10.1016/j.jmps.2023.105492 || (ii) https://doi.org/10.1016/j.jmps.2023.105493 || (iii) https://doi.org/10.31224/4289
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@Article{zunker2024mechanicallyI,
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author = {Zunker, William and Kamrin, Ken},
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title = {A mechanically-derived contact model for adhesive elastic-perfectly plastic particles,
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Part I: Utilizing the method of dimensionality reduction},
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journal = {Journal of the Mechanics and Physics of Solids},
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year = {2024},
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volume = {183},
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pages = {105492},
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}
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@Article{zunker2024mechanicallyII,
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author = {Zunker, William and Kamrin, Ken},
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title = {A mechanically-derived contact model for adhesive elastic-perfectly plastic particles,
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Part II: Contact under high compaction—modeling a bulk elastic response},
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journal = {Journal of the Mechanics and Physics of Solids},
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year = {2024},
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volume = {183},
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pages = {105493},
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}
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@Article{zunker2025experimentally,
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author = {Zunker, William and Dunatunga, Sachith and Thakur, Subhash and Tang, Pingjun and Kamrin, Ken},
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title = {Experimentally validated DEM for large deformation powder compaction:
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mechanically-derived contact model and screening of non-physical contacts},
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year = {2025},
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journal = {engrXiv},
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}
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CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE
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Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
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Neighbor list info ...
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update: every = 10 steps, delay = 60 steps, check = no
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max neighbors/atom: 2000, page size: 100000
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master list distance cutoff = 0.002318
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ghost atom cutoff = 0.002318
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binsize = 0.001159, bins = 9 9 19
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1 neighbor lists, perpetual/occasional/extra = 1 0 0
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(1) pair granular, perpetual
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attributes: half, newton off, size, history
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pair build: half/size/bin/atomonly/newtoff
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stencil: full/bin/3d
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bin: standard
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Per MPI rank memory allocation (min/avg/max) = 72.3 | 72.3 | 72.3 Mbytes
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Dt Step Atoms KinEng Volume v_disp_upper
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4e-06 0 200 0 2.1e-06 0
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Loop time of 8.51e-07 on 1 procs for 0 steps with 200 atoms
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117.5% CPU use with 1 MPI tasks x no OpenMP threads
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MPI task timing breakdown:
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Section | min time | avg time | max time |%varavg| %total
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---------------------------------------------------------------
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Pair | 0 | 0 | 0 | 0.0 | 0.00
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Neigh | 0 | 0 | 0 | 0.0 | 0.00
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Comm | 0 | 0 | 0 | 0.0 | 0.00
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Output | 0 | 0 | 0 | 0.0 | 0.00
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Modify | 0 | 0 | 0 | 0.0 | 0.00
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Other | | 8.51e-07 | | |100.00
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|
||||
Nlocal: 200 ave 200 max 200 min
|
||||
Histogram: 1 0 0 0 0 0 0 0 0 0
|
||||
Nghost: 0 ave 0 max 0 min
|
||||
Histogram: 1 0 0 0 0 0 0 0 0 0
|
||||
Neighs: 1341 ave 1341 max 1341 min
|
||||
Histogram: 1 0 0 0 0 0 0 0 0 0
|
||||
|
||||
Total # of neighbors = 1341
|
||||
Ave neighs/atom = 6.705
|
||||
Neighbor list builds = 0
|
||||
Dangerous builds not checked
|
||||
|
||||
compute sigmaxx all property/atom d_sigmaxx
|
||||
compute sigmayy all property/atom d_sigmayy
|
||||
compute sigmazz all property/atom d_sigmazz
|
||||
compute Velas all property/atom d_Velas
|
||||
|
||||
compute sigmaxx_ave all reduce ave c_sigmaxx
|
||||
compute sigmayy_ave all reduce ave c_sigmayy
|
||||
compute sigmazz_ave all reduce ave c_sigmazz
|
||||
compute Velas_sum all reduce sum c_Velas
|
||||
|
||||
variable sxx_ave equal c_sigmaxx_ave
|
||||
variable syy_ave equal c_sigmayy_ave
|
||||
variable szz_ave equal c_sigmazz_ave
|
||||
variable Vparticles equal c_Velas_sum
|
||||
|
||||
#fix log all print 1 "${sxx_ave} ${syy_ave} ${szz_ave} ${Vparticles}" file average_normal_stresses_tableting200.csv screen no
|
||||
#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
|
||||
#dump dumpParticlesVTK all vtk ${output_rate} post/particles_*.vtk id x y z fx fy fz vx vy vz c_ke radius c_sigmaxx c_sigmayy c_sigmazz
|
||||
|
||||
############################################## RUN SIMULATION #################################################
|
||||
|
||||
variable upper_punch_stroke equal 0.7*${dieHeight}
|
||||
variable upper_punch_stroke equal 0.7*0.01
|
||||
variable vel_upper equal 0.25
|
||||
|
||||
variable settling_steps equal round(0.02/dt)
|
||||
variable compression_steps equal 2*round(${upper_punch_stroke}/${vel_upper}/dt)
|
||||
variable compression_steps equal 2*round(0.007/${vel_upper}/dt)
|
||||
variable compression_steps equal 2*round(0.007/0.25/dt)
|
||||
variable ejection_steps equal ${compression_steps}
|
||||
variable ejection_steps equal 14000
|
||||
variable free_float_steps equal round(0.02/dt)
|
||||
|
||||
##### SETTLING #####
|
||||
|
||||
run ${settling_steps}
|
||||
run 5000
|
||||
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
|
||||
Per MPI rank memory allocation (min/avg/max) = 72.3 | 72.3 | 72.3 Mbytes
|
||||
Dt Step Atoms KinEng Volume v_disp_upper
|
||||
4e-06 0 200 0 2.1e-06 0
|
||||
4e-06 100 200 1.5945503e-09 2.1e-06 0
|
||||
4e-06 200 200 6.3770738e-09 2.1e-06 0
|
||||
4e-06 300 200 1.4245359e-08 2.1e-06 0
|
||||
4e-06 400 200 2.5260505e-08 2.1e-06 0
|
||||
4e-06 500 200 3.9464751e-08 2.1e-06 0
|
||||
4e-06 600 200 5.6858098e-08 2.1e-06 0
|
||||
4e-06 700 200 7.7385952e-08 2.1e-06 0
|
||||
4e-06 800 198 1.0059548e-07 2.1e-06 0
|
||||
4e-06 900 196 1.2599473e-07 2.1e-06 0
|
||||
4e-06 1000 194 1.5428578e-07 2.1e-06 0
|
||||
4e-06 1100 194 1.8644695e-07 2.1e-06 0
|
||||
4e-06 1200 192 2.2088698e-07 2.1e-06 0
|
||||
4e-06 1300 192 2.5897366e-07 2.1e-06 0
|
||||
4e-06 1400 192 3.0013683e-07 2.1e-06 0
|
||||
4e-06 1500 192 3.4277758e-07 2.1e-06 0
|
||||
4e-06 1600 192 3.9077177e-07 2.1e-06 0
|
||||
4e-06 1700 192 4.3898925e-07 2.1e-06 0
|
||||
4e-06 1800 186 4.736674e-07 2.1e-06 0
|
||||
4e-06 1900 184 5.2110858e-07 2.1e-06 0
|
||||
4e-06 2000 184 5.7848899e-07 2.1e-06 0
|
||||
4e-06 2100 184 6.3492469e-07 2.1e-06 0
|
||||
4e-06 2200 184 6.9441989e-07 2.1e-06 0
|
||||
4e-06 2300 182 inf 2.1e-06 0
|
||||
4e-06 2400 176 7.9307687e-07 2.1e-06 0
|
||||
4e-06 2500 176 8.599965e-07 2.1e-06 0
|
||||
4e-06 2600 176 9.2970927e-07 2.1e-06 0
|
||||
4e-06 2700 176 1.0022152e-06 2.1e-06 0
|
||||
4e-06 2800 176 inf 2.1e-06 0
|
||||
4e-06 2900 174 1.1458142e-06 2.1e-06 0
|
||||
4e-06 3000 172 1.2159972e-06 2.1e-06 0
|
||||
4e-06 3100 172 inf 2.1e-06 0
|
||||
4e-06 3200 170 1.3640273e-06 2.1e-06 0
|
||||
4e-06 3300 164 1.4023496e-06 2.1e-06 0
|
||||
4e-06 3400 164 1.4878891e-06 2.1e-06 0
|
||||
4e-06 3500 164 1.5760184e-06 2.1e-06 0
|
||||
4e-06 3600 164 1.6667377e-06 2.1e-06 0
|
||||
4e-06 3700 162 1.7486967e-06 2.1e-06 0
|
||||
4e-06 3800 160 1.8165262e-06 2.1e-06 0
|
||||
4e-06 3900 158 1.8886488e-06 2.1e-06 0
|
||||
4e-06 4000 158 1.9853138e-06 2.1e-06 0
|
||||
4e-06 4100 158 inf 2.1e-06 0
|
||||
4e-06 4200 156 2.1616605e-06 2.1e-06 0
|
||||
4e-06 4300 156 2.2655984e-06 2.1e-06 0
|
||||
4e-06 4400 156 inf 2.1e-06 0
|
||||
4e-06 4500 152 2.4161761e-06 2.1e-06 0
|
||||
4e-06 4600 152 2.497822e-06 2.1e-06 0
|
||||
4e-06 4700 150 2.6001287e-06 2.1e-06 0
|
||||
4e-06 4800 148 inf 2.1e-06 0
|
||||
4e-06 4900 146 inf 2.1e-06 0
|
||||
4e-06 5000 140 2.7812394e-06 2.1e-06 0
|
||||
Loop time of 0.432192 on 1 procs for 5000 steps with 140 atoms
|
||||
|
||||
99.7% CPU use with 1 MPI tasks x no OpenMP threads
|
||||
|
||||
MPI task timing breakdown:
|
||||
Section | min time | avg time | max time |%varavg| %total
|
||||
---------------------------------------------------------------
|
||||
Pair | 0.10597 | 0.10597 | 0.10597 | 0.0 | 24.52
|
||||
Neigh | 0.011871 | 0.011871 | 0.011871 | 0.0 | 2.75
|
||||
Comm | 0.00034652 | 0.00034652 | 0.00034652 | 0.0 | 0.08
|
||||
Output | 0.00027596 | 0.00027596 | 0.00027596 | 0.0 | 0.06
|
||||
Modify | 0.31284 | 0.31284 | 0.31284 | 0.0 | 72.39
|
||||
Other | | 0.0008893 | | | 0.21
|
||||
|
||||
Nlocal: 140 ave 140 max 140 min
|
||||
Histogram: 1 0 0 0 0 0 0 0 0 0
|
||||
Nghost: 0 ave 0 max 0 min
|
||||
Histogram: 1 0 0 0 0 0 0 0 0 0
|
||||
Neighs: 865 ave 865 max 865 min
|
||||
Histogram: 1 0 0 0 0 0 0 0 0 0
|
||||
|
||||
Total # of neighbors = 865
|
||||
Ave neighs/atom = 6.1785714
|
||||
Neighbor list builds = 83
|
||||
Dangerous builds not checked
|
||||
|
||||
##### Compression & Release #####
|
||||
|
||||
variable punch_frequency equal PI/2/(dt*${compression_steps}/2)
|
||||
variable punch_frequency equal PI/2/(dt*14000/2)
|
||||
variable disp_upper equal -${upper_punch_stroke}*sin(${punch_frequency}*elapsed*dt)
|
||||
variable disp_upper equal -0.007*sin(${punch_frequency}*elapsed*dt)
|
||||
variable disp_upper equal -0.007*sin(56.0998688141035*elapsed*dt)
|
||||
variable short_release equal round(${compression_steps}*1.0)
|
||||
variable short_release equal round(14000*1.0)
|
||||
run ${short_release}
|
||||
run 14000
|
||||
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
|
||||
Per MPI rank memory allocation (min/avg/max) = 72.3 | 72.3 | 72.3 Mbytes
|
||||
Dt Step Atoms KinEng Volume v_disp_upper
|
||||
4e-06 5000 140 2.7812394e-06 2.1e-06 0
|
||||
4e-06 5100 140 2.8895541e-06 2.1e-06 -0.00015706645
|
||||
4e-06 5200 136 2.9030642e-06 2.1e-06 -0.00031405381
|
||||
4e-06 5300 134 2.9801402e-06 2.1e-06 -0.00047088304
|
||||
4e-06 5400 134 inf 2.1e-06 -0.00062747516
|
||||
4e-06 5500 130 3.1361708e-06 2.1e-06 -0.00078375133
|
||||
4e-06 5600 130 3.224988e-06 2.1e-06 -0.00093963286
|
||||
4e-06 5700 128 3.2981553e-06 2.1e-06 -0.0010950413
|
||||
4e-06 5800 126 3.3346425e-06 2.1e-06 -0.0012498983
|
||||
4e-06 5900 126 3.4495324e-06 2.1e-06 -0.0014041259
|
||||
4e-06 6000 124 3.4436288e-06 2.1e-06 -0.0015576465
|
||||
4e-06 6100 122 3.5108806e-06 2.1e-06 -0.0017103828
|
||||
4e-06 6200 118 3.4808187e-06 2.1e-06 -0.0018622579
|
||||
4e-06 6300 116 3.5520892e-06 2.1e-06 -0.0020131953
|
||||
4e-06 6400 116 3.6651266e-06 2.1e-06 -0.002163119
|
||||
4e-06 6500 116 3.7768528e-06 2.1e-06 -0.0023119534
|
||||
4e-06 6600 114 3.8296982e-06 2.1e-06 -0.0024596238
|
||||
4e-06 6700 110 3.8220731e-06 2.1e-06 -0.0026060556
|
||||
4e-06 6800 108 3.8409573e-06 2.1e-06 -0.0027511752
|
||||
4e-06 6900 108 inf 2.1e-06 -0.0028949095
|
||||
4e-06 7000 104 3.9206342e-06 2.1e-06 -0.0030371862
|
||||
4e-06 7100 102 3.9647246e-06 2.1e-06 -0.0031779335
|
||||
4e-06 7200 102 inf 2.1e-06 -0.0033170806
|
||||
4e-06 7300 98 3.9766723e-06 2.1e-06 -0.0034545575
|
||||
4e-06 7400 90 3.7821936e-06 2.1e-06 -0.0035902949
|
||||
4e-06 7500 90 inf 2.1e-06 -0.0037242245
|
||||
4e-06 7600 86 3.8144737e-06 2.1e-06 -0.0038562789
|
||||
4e-06 7700 84 3.7897749e-06 2.1e-06 -0.0039863915
|
||||
4e-06 7800 82 3.8008682e-06 2.1e-06 -0.0041144968
|
||||
4e-06 7900 80 3.791409e-06 2.1e-06 -0.0042405303
|
||||
4e-06 8000 76 3.7336309e-06 2.1e-06 -0.0043644286
|
||||
4e-06 8100 76 inf 2.1e-06 -0.0044861293
|
||||
4e-06 8200 72 3.7708462e-06 2.1e-06 -0.0046055711
|
||||
4e-06 8300 72 3.8690393e-06 2.1e-06 -0.0047226938
|
||||
4e-06 8400 68 inf 2.1e-06 -0.0048374385
|
||||
4e-06 8500 64 3.6623177e-06 2.1e-06 -0.0049497475
|
||||
4e-06 8600 62 3.6134274e-06 2.1e-06 -0.005059564
|
||||
4e-06 8700 62 3.6965363e-06 2.1e-06 -0.005166833
|
||||
4e-06 8800 60 3.5674683e-06 2.1e-06 -0.0052715003
|
||||
4e-06 8900 54 3.3423076e-06 2.1e-06 -0.0053735132
|
||||
4e-06 9000 50 3.1486697e-06 2.1e-06 -0.0054728204
|
||||
4e-06 9100 48 3.0716142e-06 2.1e-06 -0.0055693718
|
||||
4e-06 9200 46 2.9984533e-06 2.1e-06 -0.005663119
|
||||
4e-06 9300 46 inf 2.1e-06 -0.0057540145
|
||||
4e-06 9400 34 inf 2.1e-06 -0.0058420128
|
||||
4e-06 9500 32 2.4147256e-06 2.1e-06 -0.0059270694
|
||||
4e-06 9600 32 inf 2.1e-06 -0.0060091416
|
||||
4e-06 9700 26 inf 2.1e-06 -0.0060881879
|
||||
4e-06 9800 20 1.5991947e-06 2.1e-06 -0.0061641687
|
||||
4e-06 9900 20 inf 2.1e-06 -0.0062370457
|
||||
4e-06 10000 16 1.3327917e-06 2.1e-06 -0.0063067821
|
||||
4e-06 10100 10 8.8157027e-07 2.1e-06 -0.0063733428
|
||||
4e-06 10200 10 8.9614642e-07 2.1e-06 -0.0064366944
|
||||
4e-06 10300 10 8.9775988e-07 2.1e-06 -0.0064968049
|
||||
4e-06 10400 10 9.0812889e-07 2.1e-06 -0.0065536441
|
||||
4e-06 10500 10 9.003094e-07 2.1e-06 -0.0066071833
|
||||
4e-06 10600 10 8.8275797e-07 2.1e-06 -0.0066573956
|
||||
4e-06 10700 10 8.6537937e-07 2.1e-06 -0.0067042557
|
||||
4e-06 10800 10 8.4817361e-07 2.1e-06 -0.00674774
|
||||
4e-06 10900 10 8.311407e-07 2.1e-06 -0.0067878266
|
||||
4e-06 11000 10 8.1428062e-07 2.1e-06 -0.0068244954
|
||||
4e-06 11100 10 7.9759338e-07 2.1e-06 -0.0068577278
|
||||
4e-06 11200 10 7.8107899e-07 2.1e-06 -0.0068875071
|
||||
4e-06 11300 10 7.6473743e-07 2.1e-06 -0.0069138184
|
||||
4e-06 11400 10 7.4856871e-07 2.1e-06 -0.0069366483
|
||||
4e-06 11500 10 6.5214996e-07 2.1e-06 -0.0069559855
|
||||
4e-06 11600 10 8.9415748e-07 2.1e-06 -0.0069718201
|
||||
4e-06 11700 10 8.718476e-07 2.1e-06 -0.0069841441
|
||||
4e-06 11800 10 1.0390866e-06 2.1e-06 -0.0069929515
|
||||
4e-06 11900 10 1.058099e-06 2.1e-06 -0.0069982376
|
||||
4e-06 12000 10 1.0772841e-06 2.1e-06 -0.007
|
||||
4e-06 12100 10 1.0966421e-06 2.1e-06 -0.0069982376
|
||||
4e-06 12200 10 1.116173e-06 2.1e-06 -0.0069929515
|
||||
4e-06 12300 10 1.1358767e-06 2.1e-06 -0.0069841441
|
||||
4e-06 12400 10 1.1557532e-06 2.1e-06 -0.0069718201
|
||||
4e-06 12500 10 1.1709163e-06 2.1e-06 -0.0069559855
|
||||
4e-06 12600 10 1.1781568e-06 2.1e-06 -0.0069366483
|
||||
4e-06 12700 10 1.1814023e-06 2.1e-06 -0.0069138184
|
||||
4e-06 12800 10 1.182238e-06 2.1e-06 -0.0068875071
|
||||
4e-06 12900 10 1.1321834e-06 2.1e-06 -0.0068577278
|
||||
4e-06 13000 10 1.1602658e-06 2.1e-06 -0.0068244954
|
||||
4e-06 13100 10 1.1403281e-06 2.1e-06 -0.0067878266
|
||||
4e-06 13200 10 1.1205632e-06 2.1e-06 -0.00674774
|
||||
4e-06 13300 10 1.1009712e-06 2.1e-06 -0.0067042557
|
||||
4e-06 13400 10 1.081552e-06 2.1e-06 -0.0066573956
|
||||
4e-06 13500 10 1.0623057e-06 2.1e-06 -0.0066071833
|
||||
4e-06 13600 10 9.7690472e-07 2.1e-06 -0.0065536441
|
||||
4e-06 13700 10 8.7554649e-07 2.1e-06 -0.0064968049
|
||||
4e-06 13800 10 8.6114161e-07 2.1e-06 -0.0064366944
|
||||
4e-06 13900 10 7.2229969e-07 2.1e-06 -0.0063733428
|
||||
4e-06 14000 10 6.0299298e-07 2.1e-06 -0.0063067821
|
||||
4e-06 14100 10 5.9691906e-07 2.1e-06 -0.0062370457
|
||||
4e-06 14200 10 5.8877052e-07 2.1e-06 -0.0061641687
|
||||
4e-06 14300 10 5.8079481e-07 2.1e-06 -0.0060881879
|
||||
4e-06 14400 10 5.0821182e-07 2.1e-06 -0.0060091416
|
||||
4e-06 14500 10 4.5974587e-07 2.1e-06 -0.0059270694
|
||||
4e-06 14600 10 4.5438391e-07 2.1e-06 -0.0058420128
|
||||
4e-06 14700 10 4.4919479e-07 2.1e-06 -0.0057540145
|
||||
4e-06 14800 10 3.6176002e-07 2.1e-06 -0.005663119
|
||||
4e-06 14900 10 3.5835307e-07 2.1e-06 -0.0055693718
|
||||
4e-06 15000 10 3.5511897e-07 2.1e-06 -0.0054728204
|
||||
4e-06 15100 10 3.5205771e-07 2.1e-06 -0.0053735132
|
||||
4e-06 15200 10 2.4180157e-07 2.1e-06 -0.0052715003
|
||||
4e-06 15300 10 1.9792566e-07 2.1e-06 -0.005166833
|
||||
4e-06 15400 10 1.9768384e-07 2.1e-06 -0.005059564
|
||||
4e-06 15500 10 1.6550345e-07 2.1e-06 -0.0049497475
|
||||
4e-06 15600 10 1.6608824e-07 2.1e-06 -0.0048374385
|
||||
4e-06 15700 10 1.4780766e-07 2.1e-06 -0.0047226938
|
||||
4e-06 15800 10 1.4899916e-07 2.1e-06 -0.0046055711
|
||||
4e-06 15900 10 1.503635e-07 2.1e-06 -0.0044861293
|
||||
4e-06 16000 10 1.5190069e-07 2.1e-06 -0.0043644286
|
||||
4e-06 16100 10 1.5361071e-07 2.1e-06 -0.0042405303
|
||||
4e-06 16200 10 1.5373505e-07 2.1e-06 -0.0041144968
|
||||
4e-06 16300 10 1.5202036e-07 2.1e-06 -0.0039863915
|
||||
4e-06 16400 10 1.5047851e-07 2.1e-06 -0.0038562789
|
||||
4e-06 16500 10 1.491095e-07 2.1e-06 -0.0037242245
|
||||
4e-06 16600 10 1.4791333e-07 2.1e-06 -0.0035902949
|
||||
4e-06 16700 10 1.4689e-07 2.1e-06 -0.0034545575
|
||||
4e-06 16800 10 1.460395e-07 2.1e-06 -0.0033170806
|
||||
4e-06 16900 10 1.4536185e-07 2.1e-06 -0.0031779335
|
||||
4e-06 17000 10 1.4485704e-07 2.1e-06 -0.0030371862
|
||||
4e-06 17100 10 1.4452507e-07 2.1e-06 -0.0028949095
|
||||
4e-06 17200 10 1.4436594e-07 2.1e-06 -0.0027511752
|
||||
4e-06 17300 10 1.4297672e-07 2.1e-06 -0.0026060556
|
||||
4e-06 17400 10 1.4034469e-07 2.1e-06 -0.0024596238
|
||||
4e-06 17500 10 1.378855e-07 2.1e-06 -0.0023119534
|
||||
4e-06 17600 10 1.3559914e-07 2.1e-06 -0.002163119
|
||||
4e-06 17700 10 1.3348563e-07 2.1e-06 -0.0020131953
|
||||
4e-06 17800 10 1.3154496e-07 2.1e-06 -0.0018622579
|
||||
4e-06 17900 10 1.2977712e-07 2.1e-06 -0.0017103828
|
||||
4e-06 18000 10 1.2659132e-07 2.1e-06 -0.0015576465
|
||||
4e-06 18100 10 1.241758e-07 2.1e-06 -0.0014041259
|
||||
4e-06 18200 10 1.2060433e-07 2.1e-06 -0.0012498983
|
||||
4e-06 18300 10 1.172057e-07 2.1e-06 -0.0010950413
|
||||
4e-06 18400 10 1.1397991e-07 2.1e-06 -0.00093963286
|
||||
4e-06 18500 10 1.1092695e-07 2.1e-06 -0.00078375133
|
||||
4e-06 18600 10 1.0804684e-07 2.1e-06 -0.00062747516
|
||||
4e-06 18700 10 1.0533957e-07 2.1e-06 -0.00047088304
|
||||
4e-06 18800 10 1.0280514e-07 2.1e-06 -0.00031405381
|
||||
4e-06 18900 10 1.0044354e-07 2.1e-06 -0.00015706645
|
||||
4e-06 19000 10 9.8254791e-08 2.1e-06 2.0903119e-17
|
||||
Loop time of 0.287179 on 1 procs for 14000 steps with 10 atoms
|
||||
|
||||
99.8% CPU use with 1 MPI tasks x no OpenMP threads
|
||||
|
||||
MPI task timing breakdown:
|
||||
Section | min time | avg time | max time |%varavg| %total
|
||||
---------------------------------------------------------------
|
||||
Pair | 0.049189 | 0.049189 | 0.049189 | 0.0 | 17.13
|
||||
Neigh | 0.0057064 | 0.0057064 | 0.0057064 | 0.0 | 1.99
|
||||
Comm | 0.00064863 | 0.00064863 | 0.00064863 | 0.0 | 0.23
|
||||
Output | 0.00089611 | 0.00089611 | 0.00089611 | 0.0 | 0.31
|
||||
Modify | 0.22899 | 0.22899 | 0.22899 | 0.0 | 79.74
|
||||
Other | | 0.001749 | | | 0.61
|
||||
|
||||
Nlocal: 10 ave 10 max 10 min
|
||||
Histogram: 1 0 0 0 0 0 0 0 0 0
|
||||
Nghost: 0 ave 0 max 0 min
|
||||
Histogram: 1 0 0 0 0 0 0 0 0 0
|
||||
Neighs: 2 ave 2 max 2 min
|
||||
Histogram: 1 0 0 0 0 0 0 0 0 0
|
||||
|
||||
Total # of neighbors = 2
|
||||
Ave neighs/atom = 0.2
|
||||
Neighbor list builds = 233
|
||||
Dangerous builds not checked
|
||||
|
||||
##### EJECTION #####
|
||||
|
||||
variable punch_frequency equal PI/2/(dt*${ejection_steps})
|
||||
variable punch_frequency equal PI/2/(dt*14000)
|
||||
variable disp_lower equal ${dieHeight}*sin(${punch_frequency}*elapsed*dt)
|
||||
variable disp_lower equal 0.01*sin(${punch_frequency}*elapsed*dt)
|
||||
variable disp_lower equal 0.01*sin(28.0499344070517*elapsed*dt)
|
||||
variable disp_upper equal 0.9*v_disp_lower
|
||||
run ${ejection_steps}
|
||||
run 14000
|
||||
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
|
||||
Per MPI rank memory allocation (min/avg/max) = 72.3 | 72.3 | 72.3 Mbytes
|
||||
Dt Step Atoms KinEng Volume v_disp_upper
|
||||
4e-06 19000 10 9.8254791e-08 2.1e-06 0
|
||||
4e-06 19100 10 9.6238878e-08 2.1e-06 0.00010097765
|
||||
4e-06 19200 10 9.4395806e-08 2.1e-06 0.00020194258
|
||||
4e-06 19300 10 9.2725573e-08 2.1e-06 0.00030288209
|
||||
4e-06 19400 10 9.1228181e-08 2.1e-06 0.00040378347
|
||||
4e-06 19500 10 8.9903628e-08 2.1e-06 0.00050463403
|
||||
4e-06 19600 10 8.8751915e-08 2.1e-06 0.00060542105
|
||||
4e-06 19700 10 6.9553679e-08 2.1e-06 0.00070613186
|
||||
4e-06 19800 10 3.855161e-07 2.1e-06 0.00080675378
|
||||
4e-06 19900 10 3.8006492e-07 2.1e-06 0.00090727414
|
||||
4e-06 20000 10 3.7478659e-07 2.1e-06 0.0010076803
|
||||
4e-06 20100 10 3.6968109e-07 2.1e-06 0.0011079596
|
||||
4e-06 20200 10 3.6474843e-07 2.1e-06 0.0012080994
|
||||
4e-06 20300 10 3.5998861e-07 2.1e-06 0.0013080871
|
||||
4e-06 20400 10 3.5540163e-07 2.1e-06 0.0014079102
|
||||
4e-06 20500 10 3.509875e-07 2.1e-06 0.001507556
|
||||
4e-06 20600 10 3.467462e-07 2.1e-06 0.0016070121
|
||||
4e-06 20700 10 3.4267774e-07 2.1e-06 0.0017062658
|
||||
4e-06 20800 10 3.3878212e-07 2.1e-06 0.0018053047
|
||||
4e-06 20900 10 6.2902098e-07 2.1e-06 0.0019041164
|
||||
4e-06 21000 10 7.1567323e-07 2.1e-06 0.0020026884
|
||||
4e-06 21100 10 7.0670404e-07 2.1e-06 0.0021010083
|
||||
4e-06 21200 10 6.9790769e-07 2.1e-06 0.0021990637
|
||||
4e-06 21300 10 6.8928417e-07 2.1e-06 0.0022968422
|
||||
4e-06 21400 10 6.808335e-07 2.1e-06 0.0023943316
|
||||
4e-06 21500 10 8.228831e-07 2.1e-06 0.0024915196
|
||||
4e-06 21600 10 8.1258059e-07 2.1e-06 0.0025883939
|
||||
4e-06 21700 10 8.0245093e-07 2.1e-06 0.0026849424
|
||||
4e-06 21800 10 7.924941e-07 2.1e-06 0.0027811529
|
||||
4e-06 21900 10 7.8271011e-07 2.1e-06 0.0028770133
|
||||
4e-06 22000 10 7.7309896e-07 2.1e-06 0.0029725116
|
||||
4e-06 22100 10 7.6366066e-07 2.1e-06 0.0030676356
|
||||
4e-06 22200 10 7.5439519e-07 2.1e-06 0.0031623734
|
||||
4e-06 22300 10 9.6736756e-07 2.1e-06 0.0032567132
|
||||
4e-06 22400 10 9.5508751e-07 2.1e-06 0.0033506429
|
||||
4e-06 22500 10 1.146027e-06 2.1e-06 0.0034441509
|
||||
4e-06 22600 10 1.3340747e-06 2.1e-06 0.0035372253
|
||||
4e-06 22700 10 1.3161012e-06 2.1e-06 0.0036298544
|
||||
4e-06 22800 10 1.3780346e-06 2.1e-06 0.0037220265
|
||||
4e-06 22900 10 1.4437449e-06 2.1e-06 0.0038137301
|
||||
4e-06 23000 10 1.4237439e-06 2.1e-06 0.0039049537
|
||||
4e-06 23100 10 1.4039157e-06 2.1e-06 0.0039956856
|
||||
4e-06 23200 10 1.3842603e-06 2.1e-06 0.0040859145
|
||||
4e-06 23300 10 1.3647778e-06 2.1e-06 0.0041756291
|
||||
4e-06 23400 10 1.3454681e-06 2.1e-06 0.004264818
|
||||
4e-06 23500 10 1.3263312e-06 2.1e-06 0.00435347
|
||||
4e-06 23600 10 1.3073672e-06 2.1e-06 0.004441574
|
||||
4e-06 23700 10 1.4224882e-06 2.1e-06 0.0045291188
|
||||
4e-06 23800 10 1.4016962e-06 2.1e-06 0.0046160935
|
||||
4e-06 23900 10 1.381077e-06 2.1e-06 0.0047024871
|
||||
4e-06 24000 10 1.3606307e-06 2.1e-06 0.0047882887
|
||||
4e-06 24100 10 1.3403572e-06 2.1e-06 0.0048734875
|
||||
4e-06 24200 10 1.3202566e-06 2.1e-06 0.0049580728
|
||||
4e-06 24300 10 1.3003288e-06 2.1e-06 0.005042034
|
||||
4e-06 24400 10 1.2805739e-06 2.1e-06 0.0051253604
|
||||
4e-06 24500 10 1.2609917e-06 2.1e-06 0.0052080417
|
||||
4e-06 24600 10 1.2415825e-06 2.1e-06 0.0052900673
|
||||
4e-06 24700 10 1.222346e-06 2.1e-06 0.0053714269
|
||||
4e-06 24800 10 1.2032824e-06 2.1e-06 0.0054521104
|
||||
4e-06 24900 10 1.1843917e-06 2.1e-06 0.0055321075
|
||||
4e-06 25000 10 1.2550315e-06 2.1e-06 0.0056114082
|
||||
4e-06 25100 10 1.2348763e-06 2.1e-06 0.0056900025
|
||||
4e-06 25200 10 1.2148941e-06 2.1e-06 0.0057678805
|
||||
4e-06 25300 10 1.1950846e-06 2.1e-06 0.0058450324
|
||||
4e-06 25400 10 1.175448e-06 2.1e-06 0.0059214485
|
||||
4e-06 25500 10 1.1559842e-06 2.1e-06 0.0059971192
|
||||
4e-06 25600 10 1.1366933e-06 2.1e-06 0.0060720349
|
||||
4e-06 25700 10 1.1175752e-06 2.1e-06 0.0061461862
|
||||
4e-06 25800 10 1.0986299e-06 2.1e-06 0.0062195638
|
||||
4e-06 25900 10 1.0798575e-06 2.1e-06 0.0062921585
|
||||
4e-06 26000 10 1.061258e-06 2.1e-06 0.006363961
|
||||
4e-06 26100 10 9.1373064e-07 2.1e-06 0.0064349624
|
||||
4e-06 26200 10 8.9836765e-07 2.1e-06 0.0065051538
|
||||
4e-06 26300 10 8.8317749e-07 2.1e-06 0.0065745262
|
||||
4e-06 26400 10 8.6816018e-07 2.1e-06 0.006643071
|
||||
4e-06 26500 10 7.2232503e-07 2.1e-06 0.0067107795
|
||||
4e-06 26600 10 7.1072319e-07 2.1e-06 0.0067776432
|
||||
4e-06 26700 10 6.9929419e-07 2.1e-06 0.0068436537
|
||||
4e-06 26800 10 6.8803803e-07 2.1e-06 0.0069088027
|
||||
4e-06 26900 10 6.7695471e-07 2.1e-06 0.0069730819
|
||||
4e-06 27000 10 6.6604423e-07 2.1e-06 0.0070364833
|
||||
4e-06 27100 10 6.5530659e-07 2.1e-06 0.007098999
|
||||
4e-06 27200 10 6.4474179e-07 2.1e-06 0.0071606209
|
||||
4e-06 27300 10 6.3434984e-07 2.1e-06 0.0072213415
|
||||
4e-06 27400 10 6.2413072e-07 2.1e-06 0.0072811529
|
||||
4e-06 27500 10 6.1408444e-07 2.1e-06 0.0073400478
|
||||
4e-06 27600 10 6.04211e-07 2.1e-06 0.0073980187
|
||||
4e-06 27700 10 5.945104e-07 2.1e-06 0.0074550582
|
||||
4e-06 27800 10 5.8498264e-07 2.1e-06 0.0075111593
|
||||
4e-06 27900 10 5.7562772e-07 2.1e-06 0.0075663148
|
||||
4e-06 28000 10 5.6644564e-07 2.1e-06 0.0076205178
|
||||
4e-06 28100 10 5.574364e-07 2.1e-06 0.0076737615
|
||||
4e-06 28200 10 5.486e-07 2.1e-06 0.0077260391
|
||||
4e-06 28300 10 5.3993644e-07 2.1e-06 0.0077773442
|
||||
4e-06 28400 10 5.3144572e-07 2.1e-06 0.0078276702
|
||||
4e-06 28500 10 5.1027539e-07 2.1e-06 0.0078770108
|
||||
4e-06 28600 10 3.5840723e-07 2.1e-06 0.0079253598
|
||||
4e-06 28700 10 3.7060273e-07 2.1e-06 0.0079727111
|
||||
4e-06 28800 10 3.6745652e-07 2.1e-06 0.0080190587
|
||||
4e-06 28900 10 3.6448315e-07 2.1e-06 0.0080643969
|
||||
4e-06 29000 10 3.0843931e-07 2.1e-06 0.0081087198
|
||||
4e-06 29100 10 3.0772799e-07 2.1e-06 0.008152022
|
||||
4e-06 29200 10 3.0718951e-07 2.1e-06 0.0081942979
|
||||
4e-06 29300 10 3.0682387e-07 2.1e-06 0.0082355423
|
||||
4e-06 29400 10 3.0663107e-07 2.1e-06 0.00827575
|
||||
4e-06 29500 10 3.0661111e-07 2.1e-06 0.0083149158
|
||||
4e-06 29600 10 3.0676399e-07 2.1e-06 0.0083530349
|
||||
4e-06 29700 10 3.0708971e-07 2.1e-06 0.0083901025
|
||||
4e-06 29800 10 3.0758827e-07 2.1e-06 0.0084261138
|
||||
4e-06 29900 10 3.0825967e-07 2.1e-06 0.0084610645
|
||||
4e-06 30000 10 3.0910391e-07 2.1e-06 0.00849495
|
||||
4e-06 30100 10 2.7633224e-07 2.1e-06 0.0085277661
|
||||
4e-06 30200 10 2.7917696e-07 2.1e-06 0.0085595086
|
||||
4e-06 30300 10 2.8219452e-07 2.1e-06 0.0085901737
|
||||
4e-06 30400 10 2.8538492e-07 2.1e-06 0.0086197574
|
||||
4e-06 30500 10 2.8874816e-07 2.1e-06 0.0086482559
|
||||
4e-06 30600 10 2.9228424e-07 2.1e-06 0.0086756657
|
||||
4e-06 30700 10 2.9599316e-07 2.1e-06 0.0087019834
|
||||
4e-06 30800 10 2.9987493e-07 2.1e-06 0.0087272057
|
||||
4e-06 30900 10 3.0392953e-07 2.1e-06 0.0087513293
|
||||
4e-06 31000 10 3.0815697e-07 2.1e-06 0.0087743512
|
||||
4e-06 31100 10 3.1255725e-07 2.1e-06 0.0087962686
|
||||
4e-06 31200 10 3.1713037e-07 2.1e-06 0.0088170786
|
||||
4e-06 31300 10 3.2187633e-07 2.1e-06 0.0088367787
|
||||
4e-06 31400 10 3.2679513e-07 2.1e-06 0.0088553663
|
||||
4e-06 31500 10 3.3188677e-07 2.1e-06 0.0088728392
|
||||
4e-06 31600 10 3.3522008e-07 2.1e-06 0.0088891951
|
||||
4e-06 31700 10 3.3129412e-07 2.1e-06 0.0089044319
|
||||
4e-06 31800 10 3.3814673e-07 2.1e-06 0.0089185479
|
||||
4e-06 31900 10 3.7840167e-07 2.1e-06 0.0089315411
|
||||
4e-06 32000 10 3.8178891e-07 2.1e-06 0.0089434099
|
||||
4e-06 32100 10 3.8534899e-07 2.1e-06 0.0089541529
|
||||
4e-06 32200 10 3.8908191e-07 2.1e-06 0.0089637686
|
||||
4e-06 32300 10 4.1410686e-07 2.1e-06 0.008972256
|
||||
4e-06 32400 10 4.1433199e-07 2.1e-06 0.0089796139
|
||||
4e-06 32500 10 4.1472995e-07 2.1e-06 0.0089858413
|
||||
4e-06 32600 10 4.1530076e-07 2.1e-06 0.0089909376
|
||||
4e-06 32700 10 4.1604441e-07 2.1e-06 0.008994902
|
||||
4e-06 32800 10 4.169609e-07 2.1e-06 0.0089977341
|
||||
4e-06 32900 10 4.1805022e-07 2.1e-06 0.0089994335
|
||||
4e-06 33000 10 4.1931239e-07 2.1e-06 0.009
|
||||
Loop time of 0.177773 on 1 procs for 14000 steps with 10 atoms
|
||||
|
||||
99.8% CPU use with 1 MPI tasks x no OpenMP threads
|
||||
|
||||
MPI task timing breakdown:
|
||||
Section | min time | avg time | max time |%varavg| %total
|
||||
---------------------------------------------------------------
|
||||
Pair | 0.0020062 | 0.0020062 | 0.0020062 | 0.0 | 1.13
|
||||
Neigh | 0.00084671 | 0.00084671 | 0.00084671 | 0.0 | 0.48
|
||||
Comm | 0.00056289 | 0.00056289 | 0.00056289 | 0.0 | 0.32
|
||||
Output | 0.0010356 | 0.0010356 | 0.0010356 | 0.0 | 0.58
|
||||
Modify | 0.17178 | 0.17178 | 0.17178 | 0.0 | 96.63
|
||||
Other | | 0.001546 | | | 0.87
|
||||
|
||||
Nlocal: 10 ave 10 max 10 min
|
||||
Histogram: 1 0 0 0 0 0 0 0 0 0
|
||||
Nghost: 0 ave 0 max 0 min
|
||||
Histogram: 1 0 0 0 0 0 0 0 0 0
|
||||
Neighs: 3 ave 3 max 3 min
|
||||
Histogram: 1 0 0 0 0 0 0 0 0 0
|
||||
|
||||
Total # of neighbors = 3
|
||||
Ave neighs/atom = 0.3
|
||||
Neighbor list builds = 233
|
||||
Dangerous builds not checked
|
||||
|
||||
##### FREE FLOAT #####
|
||||
|
||||
variable disp_lower equal ${dieHeight}
|
||||
variable disp_lower equal 0.01
|
||||
variable disp_upper equal ${dieHeight}*0.9
|
||||
variable disp_upper equal 0.01*0.9
|
||||
variable max_disp equal ${dieRadius}*0.75
|
||||
variable max_disp equal 0.004*0.75
|
||||
run ${free_float_steps}
|
||||
run 5000
|
||||
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
|
||||
Per MPI rank memory allocation (min/avg/max) = 72.3 | 72.3 | 72.3 Mbytes
|
||||
Dt Step Atoms KinEng Volume v_disp_upper
|
||||
4e-06 33000 10 4.1931239e-07 2.1e-06 0.009
|
||||
4e-06 33100 10 4.207474e-07 2.1e-06 0.009
|
||||
4e-06 33200 10 4.2235525e-07 2.1e-06 0.009
|
||||
4e-06 33300 10 4.2413593e-07 2.1e-06 0.009
|
||||
4e-06 33400 10 4.2608946e-07 2.1e-06 0.009
|
||||
4e-06 33500 10 4.2821583e-07 2.1e-06 0.009
|
||||
4e-06 33600 10 4.3051504e-07 2.1e-06 0.009
|
||||
4e-06 33700 10 4.3298709e-07 2.1e-06 0.009
|
||||
4e-06 33800 10 4.3563197e-07 2.1e-06 0.009
|
||||
4e-06 33900 10 4.384497e-07 2.1e-06 0.009
|
||||
4e-06 34000 10 4.4144027e-07 2.1e-06 0.009
|
||||
4e-06 34100 10 4.4460367e-07 2.1e-06 0.009
|
||||
4e-06 34200 10 4.4793992e-07 2.1e-06 0.009
|
||||
4e-06 34300 10 4.5144901e-07 2.1e-06 0.009
|
||||
4e-06 34400 10 4.5465956e-07 2.1e-06 0.009
|
||||
4e-06 34500 10 4.5470653e-07 2.1e-06 0.009
|
||||
4e-06 34600 10 4.5236426e-07 2.1e-06 0.009
|
||||
4e-06 34700 10 4.5019483e-07 2.1e-06 0.009
|
||||
4e-06 34800 10 4.4819824e-07 2.1e-06 0.009
|
||||
4e-06 34900 10 4.4590448e-07 2.1e-06 0.009
|
||||
4e-06 35000 10 4.4154693e-07 2.1e-06 0.009
|
||||
4e-06 35100 10 4.3736222e-07 2.1e-06 0.009
|
||||
4e-06 35200 10 4.3335035e-07 2.1e-06 0.009
|
||||
4e-06 35300 10 4.2951132e-07 2.1e-06 0.009
|
||||
4e-06 35400 10 4.2584514e-07 2.1e-06 0.009
|
||||
4e-06 35500 10 4.2235179e-07 2.1e-06 0.009
|
||||
4e-06 35600 10 4.1903128e-07 2.1e-06 0.009
|
||||
4e-06 35700 10 4.1034829e-07 2.1e-06 0.009
|
||||
4e-06 35800 10 4.1153836e-07 2.1e-06 0.009
|
||||
4e-06 35900 10 4.0720986e-07 2.1e-06 0.009
|
||||
4e-06 36000 10 4.0259092e-07 2.1e-06 0.009
|
||||
4e-06 36100 10 3.9607992e-07 2.1e-06 0.009
|
||||
4e-06 36200 10 3.8974177e-07 2.1e-06 0.009
|
||||
4e-06 36300 10 3.8357646e-07 2.1e-06 0.009
|
||||
4e-06 36400 10 3.7758398e-07 2.1e-06 0.009
|
||||
4e-06 36500 10 3.7176435e-07 2.1e-06 0.009
|
||||
4e-06 36600 10 3.6611755e-07 2.1e-06 0.009
|
||||
4e-06 36700 10 3.606436e-07 2.1e-06 0.009
|
||||
4e-06 36800 10 3.5534248e-07 2.1e-06 0.009
|
||||
4e-06 36900 10 3.5021421e-07 2.1e-06 0.009
|
||||
4e-06 37000 10 3.4525877e-07 2.1e-06 0.009
|
||||
4e-06 37100 10 3.4047618e-07 2.1e-06 0.009
|
||||
4e-06 37200 10 3.3586643e-07 2.1e-06 0.009
|
||||
4e-06 37300 10 3.3142951e-07 2.1e-06 0.009
|
||||
4e-06 37400 10 3.0307307e-07 2.1e-06 0.009
|
||||
4e-06 37500 10 3.208203e-07 2.1e-06 0.009
|
||||
4e-06 37600 10 3.1480548e-07 2.1e-06 0.009
|
||||
4e-06 37700 10 3.0896349e-07 2.1e-06 0.009
|
||||
4e-06 37800 10 3.0329434e-07 2.1e-06 0.009
|
||||
4e-06 37900 10 2.9779804e-07 2.1e-06 0.009
|
||||
4e-06 38000 10 2.9247457e-07 2.1e-06 0.009
|
||||
Loop time of 0.0201013 on 1 procs for 5000 steps with 10 atoms
|
||||
|
||||
99.8% CPU use with 1 MPI tasks x no OpenMP threads
|
||||
|
||||
MPI task timing breakdown:
|
||||
Section | min time | avg time | max time |%varavg| %total
|
||||
---------------------------------------------------------------
|
||||
Pair | 0.00055406 | 0.00055406 | 0.00055406 | 0.0 | 2.76
|
||||
Neigh | 0.00029074 | 0.00029074 | 0.00029074 | 0.0 | 1.45
|
||||
Comm | 0.00017063 | 0.00017063 | 0.00017063 | 0.0 | 0.85
|
||||
Output | 0.00023192 | 0.00023192 | 0.00023192 | 0.0 | 1.15
|
||||
Modify | 0.018306 | 0.018306 | 0.018306 | 0.0 | 91.07
|
||||
Other | | 0.000548 | | | 2.73
|
||||
|
||||
Nlocal: 10 ave 10 max 10 min
|
||||
Histogram: 1 0 0 0 0 0 0 0 0 0
|
||||
Nghost: 0 ave 0 max 0 min
|
||||
Histogram: 1 0 0 0 0 0 0 0 0 0
|
||||
Neighs: 2 ave 2 max 2 min
|
||||
Histogram: 1 0 0 0 0 0 0 0 0 0
|
||||
|
||||
Total # of neighbors = 2
|
||||
Ave neighs/atom = 0.2
|
||||
Neighbor list builds = 83
|
||||
Dangerous builds not checked
|
||||
Total wall time: 0:00:00
|
||||
779
examples/granular/log.4Feb25.triaxial.compaction.12.g++.1
Normal file
779
examples/granular/log.4Feb25.triaxial.compaction.12.g++.1
Normal file
@ -0,0 +1,779 @@
|
||||
LAMMPS (4 Feb 2025 - Development - patch_4Feb2025-581-g384d7f446b-modified)
|
||||
############################### SIMULATION SETTINGS ###################################################
|
||||
|
||||
atom_style sphere 1
|
||||
atom_modify map array
|
||||
comm_modify vel yes
|
||||
units si
|
||||
newton off
|
||||
neighbor 2 bin
|
||||
neigh_modify delay 0
|
||||
timestep 1e-6
|
||||
|
||||
##################### SIMULATION BOUNDING BOX, INSERT PARTICLES, AND INTEGRATION #######################
|
||||
|
||||
boundary f f f
|
||||
read_data spheres12.data
|
||||
Reading data file ...
|
||||
orthogonal box = (-10 -10 -10) to (10 10 10)
|
||||
1 by 1 by 1 MPI processor grid
|
||||
reading atoms ...
|
||||
12 atoms
|
||||
read_data CPU = 0.002 seconds
|
||||
fix integr all nve/sphere
|
||||
|
||||
# create pair group for contact area outputs
|
||||
group particles_1_12 id 1 12
|
||||
2 atoms in group particles_1_12
|
||||
|
||||
########################### PARTICLE MATERIAL PROPERTIES AND FORCE MODEL ###############################
|
||||
|
||||
variable atomRadius equal 0.5
|
||||
|
||||
pair_style granular
|
||||
|
||||
# mdr = E, nu, Y, gamma, psi_b, damp
|
||||
variable YoungsModulus equal 1e9
|
||||
variable PoissonsRatio equal 0.3
|
||||
variable YieldStress equal 50e6
|
||||
variable SurfaceEnergy equal 0.0
|
||||
variable psi_b equal 0.5
|
||||
variable damp equal 1.0
|
||||
|
||||
# linear_history = k_t, x_gamma,t, mu_s
|
||||
variable kt equal 2/7*${YoungsModulus}*${atomRadius}
|
||||
variable kt equal 2/7*1000000000*${atomRadius}
|
||||
variable kt equal 2/7*1000000000*0.5
|
||||
variable xgammat equal 0.0
|
||||
variable mu_s equal 0.5
|
||||
|
||||
pair_coeff * * mdr ${YoungsModulus} ${PoissonsRatio} ${YieldStress} ${SurfaceEnergy} ${psi_b} ${damp} damping mdr tangential linear_history ${kt} ${xgammat} ${mu_s}
|
||||
pair_coeff * * mdr 1000000000 ${PoissonsRatio} ${YieldStress} ${SurfaceEnergy} ${psi_b} ${damp} damping mdr tangential linear_history ${kt} ${xgammat} ${mu_s}
|
||||
pair_coeff * * mdr 1000000000 0.3 ${YieldStress} ${SurfaceEnergy} ${psi_b} ${damp} damping mdr tangential linear_history ${kt} ${xgammat} ${mu_s}
|
||||
pair_coeff * * mdr 1000000000 0.3 50000000 ${SurfaceEnergy} ${psi_b} ${damp} damping mdr tangential linear_history ${kt} ${xgammat} ${mu_s}
|
||||
pair_coeff * * mdr 1000000000 0.3 50000000 0 ${psi_b} ${damp} damping mdr tangential linear_history ${kt} ${xgammat} ${mu_s}
|
||||
pair_coeff * * mdr 1000000000 0.3 50000000 0 0.5 ${damp} damping mdr tangential linear_history ${kt} ${xgammat} ${mu_s}
|
||||
pair_coeff * * mdr 1000000000 0.3 50000000 0 0.5 1 damping mdr tangential linear_history ${kt} ${xgammat} ${mu_s}
|
||||
pair_coeff * * mdr 1000000000 0.3 50000000 0 0.5 1 damping mdr tangential linear_history 142857142.857143 ${xgammat} ${mu_s}
|
||||
pair_coeff * * mdr 1000000000 0.3 50000000 0 0.5 1 damping mdr tangential linear_history 142857142.857143 0 ${mu_s}
|
||||
pair_coeff * * mdr 1000000000 0.3 50000000 0 0.5 1 damping mdr tangential linear_history 142857142.857143 0 0.5
|
||||
|
||||
######################################### ADD IN PLANES ################################################
|
||||
|
||||
variable boxWidth equal 3
|
||||
variable halfBoxWidth equal ${boxWidth}/2
|
||||
variable halfBoxWidth equal 3/2
|
||||
|
||||
variable plane_disp equal 0.0
|
||||
variable plane_disp_neg equal 0.0
|
||||
|
||||
region plane_yz_pos plane ${halfBoxWidth} 0 0 -1 0 0 side in move v_plane_disp_neg NULL NULL units box
|
||||
region plane_yz_pos plane 1.5 0 0 -1 0 0 side in move v_plane_disp_neg NULL NULL units box
|
||||
region plane_yz_neg plane -${halfBoxWidth} 0 0 1 0 0 side in move v_plane_disp NULL NULL units box
|
||||
region plane_yz_neg plane -1.5 0 0 1 0 0 side in move v_plane_disp NULL NULL units box
|
||||
region plane_xz_pos plane 0 ${halfBoxWidth} 0 0 -1 0 side in move NULL v_plane_disp_neg NULL units box
|
||||
region plane_xz_pos plane 0 1.5 0 0 -1 0 side in move NULL v_plane_disp_neg NULL units box
|
||||
region plane_xz_neg plane 0 -${halfBoxWidth} 0 0 1 0 side in move NULL v_plane_disp NULL units box
|
||||
region plane_xz_neg plane 0 -1.5 0 0 1 0 side in move NULL v_plane_disp NULL units box
|
||||
region plane_xy_pos plane 0 0 ${halfBoxWidth} 0 0 -1 side in move NULL NULL v_plane_disp_neg units box
|
||||
region plane_xy_pos plane 0 0 1.5 0 0 -1 side in move NULL NULL v_plane_disp_neg units box
|
||||
region plane_xy_neg plane 0 0 -${halfBoxWidth} 0 0 1 side in move NULL NULL v_plane_disp units box
|
||||
region plane_xy_neg plane 0 0 -1.5 0 0 1 side in move NULL NULL v_plane_disp units box
|
||||
|
||||
variable wall_contact_string string "granular mdr ${YoungsModulus} ${PoissonsRatio} ${YieldStress} ${SurfaceEnergy} ${psi_b} ${damp} damping mdr tangential linear_history ${kt} ${xgammat} ${mu_s} "
|
||||
granular mdr 1000000000 ${PoissonsRatio} ${YieldStress} ${SurfaceEnergy} ${psi_b} ${damp} damping mdr tangential linear_history ${kt} ${xgammat} ${mu_s}
|
||||
granular mdr 1000000000 0.3 ${YieldStress} ${SurfaceEnergy} ${psi_b} ${damp} damping mdr tangential linear_history ${kt} ${xgammat} ${mu_s}
|
||||
granular mdr 1000000000 0.3 50000000 ${SurfaceEnergy} ${psi_b} ${damp} damping mdr tangential linear_history ${kt} ${xgammat} ${mu_s}
|
||||
granular mdr 1000000000 0.3 50000000 0 ${psi_b} ${damp} damping mdr tangential linear_history ${kt} ${xgammat} ${mu_s}
|
||||
granular mdr 1000000000 0.3 50000000 0 0.5 ${damp} damping mdr tangential linear_history ${kt} ${xgammat} ${mu_s}
|
||||
granular mdr 1000000000 0.3 50000000 0 0.5 1 damping mdr tangential linear_history ${kt} ${xgammat} ${mu_s}
|
||||
granular mdr 1000000000 0.3 50000000 0 0.5 1 damping mdr tangential linear_history 142857142.857143 ${xgammat} ${mu_s}
|
||||
granular mdr 1000000000 0.3 50000000 0 0.5 1 damping mdr tangential linear_history 142857142.857143 0 ${mu_s}
|
||||
granular mdr 1000000000 0.3 50000000 0 0.5 1 damping mdr tangential linear_history 142857142.857143 0 0.5
|
||||
|
||||
fix plane_yz_pos all wall/gran/region ${wall_contact_string} region plane_yz_pos contacts
|
||||
fix plane_yz_pos all wall/gran/region granular mdr 1000000000 0.3 50000000 0 0.5 1 damping mdr tangential linear_history 142857142.857143 0 0.5 region plane_yz_pos contacts
|
||||
fix plane_yz_neg all wall/gran/region ${wall_contact_string} region plane_yz_neg contacts
|
||||
fix plane_yz_neg all wall/gran/region granular mdr 1000000000 0.3 50000000 0 0.5 1 damping mdr tangential linear_history 142857142.857143 0 0.5 region plane_yz_neg contacts
|
||||
fix plane_xz_pos all wall/gran/region ${wall_contact_string} region plane_xz_pos contacts
|
||||
fix plane_xz_pos all wall/gran/region granular mdr 1000000000 0.3 50000000 0 0.5 1 damping mdr tangential linear_history 142857142.857143 0 0.5 region plane_xz_pos contacts
|
||||
fix plane_xz_neg all wall/gran/region ${wall_contact_string} region plane_xz_neg contacts
|
||||
fix plane_xz_neg all wall/gran/region granular mdr 1000000000 0.3 50000000 0 0.5 1 damping mdr tangential linear_history 142857142.857143 0 0.5 region plane_xz_neg contacts
|
||||
fix plane_xy_pos all wall/gran/region ${wall_contact_string} region plane_xy_pos contacts
|
||||
fix plane_xy_pos all wall/gran/region granular mdr 1000000000 0.3 50000000 0 0.5 1 damping mdr tangential linear_history 142857142.857143 0 0.5 region plane_xy_pos contacts
|
||||
fix plane_xy_neg all wall/gran/region ${wall_contact_string} region plane_xy_neg contacts
|
||||
fix plane_xy_neg all wall/gran/region granular mdr 1000000000 0.3 50000000 0 0.5 1 damping mdr tangential linear_history 142857142.857143 0 0.5 region plane_xy_neg contacts
|
||||
|
||||
compute plane_xy_neg_force all reduce sum f_plane_xy_neg[4]
|
||||
variable plane_xy_neg_force equal c_plane_xy_neg_force
|
||||
|
||||
compute plane_xz_neg_force all reduce sum f_plane_xz_neg[3]
|
||||
variable plane_xz_neg_force equal c_plane_xz_neg_force
|
||||
|
||||
compute plane_yz_neg_force all reduce sum f_plane_yz_neg[2]
|
||||
variable plane_yz_neg_force equal c_plane_yz_neg_force
|
||||
|
||||
#fix print1 all print 1 "${plane_disp} ${plane_xy_neg_force} ${plane_xz_neg_force} ${plane_yz_neg_force}" file force_disp_triaxial12.csv screen no
|
||||
|
||||
######################################## SCREEN OUTPUT ####################################################
|
||||
|
||||
compute 1 all erotate/sphere
|
||||
thermo_style custom dt step atoms ke c_1 vol
|
||||
thermo 100
|
||||
thermo_modify lost ignore norm no
|
||||
|
||||
##################################### DEFINE WALL MOVEMENT #################################################
|
||||
|
||||
variable disp_max equal 0.499
|
||||
variable ddisp equal 0.00001
|
||||
variable compression_steps equal round(${disp_max}/${ddisp})
|
||||
variable compression_steps equal round(0.499/${ddisp})
|
||||
variable compression_steps equal round(0.499/1e-05)
|
||||
variable output_rate equal round(${compression_steps}/100)
|
||||
variable output_rate equal round(49900/100)
|
||||
|
||||
##################################### SET UP DUMP OUTPUTS ####################################################
|
||||
|
||||
#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 ##################################################
|
||||
|
||||
run 0
|
||||
|
||||
CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE
|
||||
|
||||
Your simulation uses code contributions which should be cited:
|
||||
|
||||
- MDR contact model command: (i) https://doi.org/10.1016/j.jmps.2023.105492 || (ii) https://doi.org/10.1016/j.jmps.2023.105493 || (iii) https://doi.org/10.31224/4289
|
||||
|
||||
@Article{zunker2024mechanicallyI,
|
||||
author = {Zunker, William and Kamrin, Ken},
|
||||
title = {A mechanically-derived contact model for adhesive elastic-perfectly plastic particles,
|
||||
Part I: Utilizing the method of dimensionality reduction},
|
||||
journal = {Journal of the Mechanics and Physics of Solids},
|
||||
year = {2024},
|
||||
volume = {183},
|
||||
pages = {105492},
|
||||
}
|
||||
|
||||
@Article{zunker2024mechanicallyII,
|
||||
author = {Zunker, William and Kamrin, Ken},
|
||||
title = {A mechanically-derived contact model for adhesive elastic-perfectly plastic particles,
|
||||
Part II: Contact under high compaction—modeling a bulk elastic response},
|
||||
journal = {Journal of the Mechanics and Physics of Solids},
|
||||
year = {2024},
|
||||
volume = {183},
|
||||
pages = {105493},
|
||||
}
|
||||
|
||||
@Article{zunker2025experimentally,
|
||||
author = {Zunker, William and Dunatunga, Sachith and Thakur, Subhash and Tang, Pingjun and Kamrin, Ken},
|
||||
title = {Experimentally validated DEM for large deformation powder compaction:
|
||||
mechanically-derived contact model and screening of non-physical contacts},
|
||||
year = {2025},
|
||||
journal = {engrXiv},
|
||||
}
|
||||
|
||||
CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE
|
||||
|
||||
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
|
||||
Neighbor list info ...
|
||||
update: every = 1 steps, delay = 0 steps, check = yes
|
||||
max neighbors/atom: 2000, page size: 100000
|
||||
master list distance cutoff = 3.2
|
||||
ghost atom cutoff = 3.2
|
||||
binsize = 1.6, bins = 13 13 13
|
||||
1 neighbor lists, perpetual/occasional/extra = 1 0 0
|
||||
(1) pair granular, perpetual
|
||||
attributes: half, newton off, size, history
|
||||
pair build: half/size/bin/atomonly/newtoff
|
||||
stencil: full/bin/3d
|
||||
bin: standard
|
||||
Per MPI rank memory allocation (min/avg/max) = 74.54 | 74.54 | 74.54 Mbytes
|
||||
Dt Step Atoms KinEng c_1 Volume
|
||||
1e-06 0 12 0 0 8000
|
||||
Loop time of 1.135e-06 on 1 procs for 0 steps with 12 atoms
|
||||
|
||||
88.1% CPU use with 1 MPI tasks x no OpenMP threads
|
||||
|
||||
MPI task timing breakdown:
|
||||
Section | min time | avg time | max time |%varavg| %total
|
||||
---------------------------------------------------------------
|
||||
Pair | 0 | 0 | 0 | 0.0 | 0.00
|
||||
Neigh | 0 | 0 | 0 | 0.0 | 0.00
|
||||
Comm | 0 | 0 | 0 | 0.0 | 0.00
|
||||
Output | 0 | 0 | 0 | 0.0 | 0.00
|
||||
Modify | 0 | 0 | 0 | 0.0 | 0.00
|
||||
Other | | 1.135e-06 | | |100.00
|
||||
|
||||
Nlocal: 12 ave 12 max 12 min
|
||||
Histogram: 1 0 0 0 0 0 0 0 0 0
|
||||
Nghost: 0 ave 0 max 0 min
|
||||
Histogram: 1 0 0 0 0 0 0 0 0 0
|
||||
Neighs: 66 ave 66 max 66 min
|
||||
Histogram: 1 0 0 0 0 0 0 0 0 0
|
||||
|
||||
Total # of neighbors = 66
|
||||
Ave neighs/atom = 5.5
|
||||
Neighbor list builds = 0
|
||||
Dangerous builds = 0
|
||||
|
||||
# print out contact area evolution for particles 1 and 12
|
||||
compute Ac_1_12 particles_1_12 pair/local p13 cutoff radius
|
||||
compute Ac_1_12_sum particles_1_12 reduce sum c_Ac_1_12 inputs local
|
||||
variable Ac_1_12 equal c_Ac_1_12_sum
|
||||
#fix logArea all print 100 "${plane_disp} ${Ac_1_12}" file pair_1_12_contact_area_triaxial12.csv screen no
|
||||
|
||||
variable plane_disp equal ${ddisp}*elapsed
|
||||
variable plane_disp equal 1e-05*elapsed
|
||||
variable plane_disp_neg equal -${ddisp}*elapsed
|
||||
variable plane_disp_neg equal -1e-05*elapsed
|
||||
|
||||
run ${compression_steps}
|
||||
run 49900
|
||||
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
|
||||
Neighbor list info ...
|
||||
update: every = 1 steps, delay = 0 steps, check = yes
|
||||
max neighbors/atom: 2000, page size: 100000
|
||||
master list distance cutoff = 3.2
|
||||
ghost atom cutoff = 3.2
|
||||
binsize = 1.6, bins = 13 13 13
|
||||
2 neighbor lists, perpetual/occasional/extra = 1 1 0
|
||||
(1) pair granular, perpetual
|
||||
attributes: half, newton off, size, history
|
||||
pair build: half/size/bin/atomonly/newtoff
|
||||
stencil: full/bin/3d
|
||||
bin: standard
|
||||
(2) compute pair/local, occasional
|
||||
attributes: half, newton off, size
|
||||
pair build: half/size/bin/atomonly/newtoff
|
||||
stencil: full/bin/3d
|
||||
bin: standard
|
||||
Per MPI rank memory allocation (min/avg/max) = 75.17 | 75.17 | 75.17 Mbytes
|
||||
Dt Step Atoms KinEng c_1 Volume
|
||||
1e-06 0 12 0 0 8000
|
||||
1e-06 100 12 0.00013054111 0 8000
|
||||
1e-06 200 12 0.013855547 0 8000
|
||||
1e-06 300 12 0.14822185 0 8000
|
||||
1e-06 400 12 0.73507149 0 8000
|
||||
1e-06 500 12 2.4874475 0 8000
|
||||
1e-06 600 12 6.7258963 0 8000
|
||||
1e-06 700 12 15.636026 0 8000
|
||||
1e-06 800 12 32.517811 0 8000
|
||||
1e-06 900 12 62.020123 0 8000
|
||||
1e-06 1000 12 110.35576 0 8000
|
||||
1e-06 1100 12 185.492 0 8000
|
||||
1e-06 1200 12 297.31164 0 8000
|
||||
1e-06 1300 12 457.73953 0 8000
|
||||
1e-06 1400 12 680.82988 0 8000
|
||||
1e-06 1500 12 982.80999 0 8000
|
||||
1e-06 1600 12 1382.0767 0 8000
|
||||
1e-06 1700 12 1899.1422 0 8000
|
||||
1e-06 1800 12 2556.5278 0 8000
|
||||
1e-06 1900 12 3378.6026 0 8000
|
||||
1e-06 2000 12 4391.3694 0 8000
|
||||
1e-06 2100 12 5622.1967 0 8000
|
||||
1e-06 2200 12 7099.4998 0 8000
|
||||
1e-06 2300 12 8852.3743 0 8000
|
||||
1e-06 2400 10 6989.9205 0 8000
|
||||
1e-06 2500 10 8429.3452 0 8000
|
||||
1e-06 2600 10 10069.898 0 8000
|
||||
1e-06 2700 10 11924.3 0 8000
|
||||
1e-06 2800 10 14004.078 0 8000
|
||||
1e-06 2900 10 16319.307 0 8000
|
||||
1e-06 3000 10 18878.365 0 8000
|
||||
1e-06 3100 10 21687.702 0 8000
|
||||
1e-06 3200 10 24751.634 0 8000
|
||||
1e-06 3300 10 28072.177 0 8000
|
||||
1e-06 3400 10 31649.069 0 8000
|
||||
1e-06 3500 10 35479.937 0 8000
|
||||
1e-06 3600 10 39560.508 0 8000
|
||||
1e-06 3700 10 43884.837 0 8000
|
||||
1e-06 3800 10 48445.544 0 8000
|
||||
1e-06 3900 10 53234.048 0 8000
|
||||
1e-06 4000 10 58240.786 0 8000
|
||||
1e-06 4100 10 63455.398 0 8000
|
||||
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||||
1e-06 37100 0 0 0 8000
|
||||
1e-06 37200 0 0 0 8000
|
||||
1e-06 37300 0 0 0 8000
|
||||
1e-06 37400 0 0 0 8000
|
||||
1e-06 37500 0 0 0 8000
|
||||
1e-06 37600 0 0 0 8000
|
||||
1e-06 37700 0 0 0 8000
|
||||
1e-06 37800 0 0 0 8000
|
||||
1e-06 37900 0 0 0 8000
|
||||
1e-06 38000 0 0 0 8000
|
||||
1e-06 38100 0 0 0 8000
|
||||
1e-06 38200 0 0 0 8000
|
||||
1e-06 38300 0 0 0 8000
|
||||
1e-06 38400 0 0 0 8000
|
||||
1e-06 38500 0 0 0 8000
|
||||
1e-06 38600 0 0 0 8000
|
||||
1e-06 38700 0 0 0 8000
|
||||
1e-06 38800 0 0 0 8000
|
||||
1e-06 38900 0 0 0 8000
|
||||
1e-06 39000 0 0 0 8000
|
||||
1e-06 39100 0 0 0 8000
|
||||
1e-06 39200 0 0 0 8000
|
||||
1e-06 39300 0 0 0 8000
|
||||
1e-06 39400 0 0 0 8000
|
||||
1e-06 39500 0 0 0 8000
|
||||
1e-06 39600 0 0 0 8000
|
||||
1e-06 39700 0 0 0 8000
|
||||
1e-06 39800 0 0 0 8000
|
||||
1e-06 39900 0 0 0 8000
|
||||
1e-06 40000 0 0 0 8000
|
||||
1e-06 40100 0 0 0 8000
|
||||
1e-06 40200 0 0 0 8000
|
||||
1e-06 40300 0 0 0 8000
|
||||
1e-06 40400 0 0 0 8000
|
||||
1e-06 40500 0 0 0 8000
|
||||
1e-06 40600 0 0 0 8000
|
||||
1e-06 40700 0 0 0 8000
|
||||
1e-06 40800 0 0 0 8000
|
||||
1e-06 40900 0 0 0 8000
|
||||
1e-06 41000 0 0 0 8000
|
||||
1e-06 41100 0 0 0 8000
|
||||
1e-06 41200 0 0 0 8000
|
||||
1e-06 41300 0 0 0 8000
|
||||
1e-06 41400 0 0 0 8000
|
||||
1e-06 41500 0 0 0 8000
|
||||
1e-06 41600 0 0 0 8000
|
||||
1e-06 41700 0 0 0 8000
|
||||
1e-06 41800 0 0 0 8000
|
||||
1e-06 41900 0 0 0 8000
|
||||
1e-06 42000 0 0 0 8000
|
||||
1e-06 42100 0 0 0 8000
|
||||
1e-06 42200 0 0 0 8000
|
||||
1e-06 42300 0 0 0 8000
|
||||
1e-06 42400 0 0 0 8000
|
||||
1e-06 42500 0 0 0 8000
|
||||
1e-06 42600 0 0 0 8000
|
||||
1e-06 42700 0 0 0 8000
|
||||
1e-06 42800 0 0 0 8000
|
||||
1e-06 42900 0 0 0 8000
|
||||
1e-06 43000 0 0 0 8000
|
||||
1e-06 43100 0 0 0 8000
|
||||
1e-06 43200 0 0 0 8000
|
||||
1e-06 43300 0 0 0 8000
|
||||
1e-06 43400 0 0 0 8000
|
||||
1e-06 43500 0 0 0 8000
|
||||
1e-06 43600 0 0 0 8000
|
||||
1e-06 43700 0 0 0 8000
|
||||
1e-06 43800 0 0 0 8000
|
||||
1e-06 43900 0 0 0 8000
|
||||
1e-06 44000 0 0 0 8000
|
||||
1e-06 44100 0 0 0 8000
|
||||
1e-06 44200 0 0 0 8000
|
||||
1e-06 44300 0 0 0 8000
|
||||
1e-06 44400 0 0 0 8000
|
||||
1e-06 44500 0 0 0 8000
|
||||
1e-06 44600 0 0 0 8000
|
||||
1e-06 44700 0 0 0 8000
|
||||
1e-06 44800 0 0 0 8000
|
||||
1e-06 44900 0 0 0 8000
|
||||
1e-06 45000 0 0 0 8000
|
||||
1e-06 45100 0 0 0 8000
|
||||
1e-06 45200 0 0 0 8000
|
||||
1e-06 45300 0 0 0 8000
|
||||
1e-06 45400 0 0 0 8000
|
||||
1e-06 45500 0 0 0 8000
|
||||
1e-06 45600 0 0 0 8000
|
||||
1e-06 45700 0 0 0 8000
|
||||
1e-06 45800 0 0 0 8000
|
||||
1e-06 45900 0 0 0 8000
|
||||
1e-06 46000 0 0 0 8000
|
||||
1e-06 46100 0 0 0 8000
|
||||
1e-06 46200 0 0 0 8000
|
||||
1e-06 46300 0 0 0 8000
|
||||
1e-06 46400 0 0 0 8000
|
||||
1e-06 46500 0 0 0 8000
|
||||
1e-06 46600 0 0 0 8000
|
||||
1e-06 46700 0 0 0 8000
|
||||
1e-06 46800 0 0 0 8000
|
||||
1e-06 46900 0 0 0 8000
|
||||
1e-06 47000 0 0 0 8000
|
||||
1e-06 47100 0 0 0 8000
|
||||
1e-06 47200 0 0 0 8000
|
||||
1e-06 47300 0 0 0 8000
|
||||
1e-06 47400 0 0 0 8000
|
||||
1e-06 47500 0 0 0 8000
|
||||
1e-06 47600 0 0 0 8000
|
||||
1e-06 47700 0 0 0 8000
|
||||
1e-06 47800 0 0 0 8000
|
||||
1e-06 47900 0 0 0 8000
|
||||
1e-06 48000 0 0 0 8000
|
||||
1e-06 48100 0 0 0 8000
|
||||
1e-06 48200 0 0 0 8000
|
||||
1e-06 48300 0 0 0 8000
|
||||
1e-06 48400 0 0 0 8000
|
||||
1e-06 48500 0 0 0 8000
|
||||
1e-06 48600 0 0 0 8000
|
||||
1e-06 48700 0 0 0 8000
|
||||
1e-06 48800 0 0 0 8000
|
||||
1e-06 48900 0 0 0 8000
|
||||
1e-06 49000 0 0 0 8000
|
||||
1e-06 49100 0 0 0 8000
|
||||
1e-06 49200 0 0 0 8000
|
||||
1e-06 49300 0 0 0 8000
|
||||
1e-06 49400 0 0 0 8000
|
||||
1e-06 49500 0 0 0 8000
|
||||
1e-06 49600 0 0 0 8000
|
||||
1e-06 49700 0 0 0 8000
|
||||
1e-06 49800 0 0 0 8000
|
||||
1e-06 49900 0 0 0 8000
|
||||
Loop time of 0.419125 on 1 procs for 49900 steps with 0 atoms
|
||||
|
||||
99.7% CPU use with 1 MPI tasks x no OpenMP threads
|
||||
|
||||
MPI task timing breakdown:
|
||||
Section | min time | avg time | max time |%varavg| %total
|
||||
---------------------------------------------------------------
|
||||
Pair | 0.015815 | 0.015815 | 0.015815 | 0.0 | 3.77
|
||||
Neigh | 1.795e-05 | 1.795e-05 | 1.795e-05 | 0.0 | 0.00
|
||||
Comm | 0.0015216 | 0.0015216 | 0.0015216 | 0.0 | 0.36
|
||||
Output | 0.0024194 | 0.0024194 | 0.0024194 | 0.0 | 0.58
|
||||
Modify | 0.3932 | 0.3932 | 0.3932 | 0.0 | 93.81
|
||||
Other | | 0.006155 | | | 1.47
|
||||
|
||||
Nlocal: 0 ave 0 max 0 min
|
||||
Histogram: 1 0 0 0 0 0 0 0 0 0
|
||||
Nghost: 0 ave 0 max 0 min
|
||||
Histogram: 1 0 0 0 0 0 0 0 0 0
|
||||
Neighs: 0 ave 0 max 0 min
|
||||
Histogram: 1 0 0 0 0 0 0 0 0 0
|
||||
|
||||
Total # of neighbors = 0
|
||||
Neighbor list builds = 6
|
||||
Dangerous builds = 0
|
||||
Total wall time: 0:00:00
|
||||
@ -154,27 +154,27 @@ void FixGranularMDR::setup_pre_force(int /*vflag*/)
|
||||
|
||||
norm_model2 = dynamic_cast<GranSubModNormalMDR *>(fix->model->normal_model);
|
||||
|
||||
if (norm_model && norm_model2 && (norm_model->E != norm_model2->E))
|
||||
if (norm_model && norm_model2 && fabs(norm_model->E - norm_model2->E) > EPSILON)
|
||||
error->all(
|
||||
FLERR, Error::NOLASTLINE,
|
||||
"Young's modulus in pair style, {}, does not agree with value {} in fix gran/wall/region",
|
||||
norm_model->E, norm_model2->E);
|
||||
if (norm_model->nu != norm_model2->nu)
|
||||
if (fabs(norm_model->nu - norm_model2->nu) > EPSILON)
|
||||
error->all(
|
||||
FLERR, Error::NOLASTLINE,
|
||||
"Poisson's ratio in pair style, {}, does not agree with value {} in fix gran/wall/region",
|
||||
norm_model->nu, norm_model2->nu);
|
||||
if (norm_model->Y != norm_model2->Y)
|
||||
if (fabs(norm_model->Y - norm_model2->Y) > EPSILON)
|
||||
error->all(
|
||||
FLERR, Error::NOLASTLINE,
|
||||
"Yield stress in pair style, {}, does not agree with value {} in fix gran/wall/region",
|
||||
norm_model->Y, norm_model2->Y);
|
||||
if (norm_model->psi_b != norm_model2->psi_b)
|
||||
if (fabs(norm_model->psi_b - norm_model2->psi_b) > EPSILON)
|
||||
error->all(FLERR, Error::NOLASTLINE,
|
||||
"Bulk response trigger in pair style, {}, does not agree with value {} in fix "
|
||||
"gran/wall/region",
|
||||
norm_model->psi_b, norm_model2->psi_b);
|
||||
if (norm_model->CoR != norm_model2->CoR)
|
||||
if (fabs(norm_model->CoR - norm_model2->CoR) > EPSILON)
|
||||
error->all(FLERR, Error::NOLASTLINE,
|
||||
"Coefficient of restitution in pair style, {}, does not agree with value {} in "
|
||||
"fix gran/wall/region",
|
||||
@ -243,18 +243,19 @@ void FixGranularMDR::pre_force(int)
|
||||
if (update->setupflag && (!new_atom)) continue;
|
||||
|
||||
const double R = radius[i];
|
||||
const double Rsq = R * R;
|
||||
const double Vo = 4.0 / 3.0 * MY_PI * pow(Ro[i], 3.0);
|
||||
const double Vgeoi = 4.0 / 3.0 * MY_PI * pow(R, 3.0) - Vcaps[i];
|
||||
const double Vgeoi = 4.0 / 3.0 * MY_PI * Rsq * R - Vcaps[i];
|
||||
|
||||
Vgeo[i] = MIN(Vgeoi, Vo);
|
||||
Velas[i] = Vo * (1.0 + eps_bar[i]);
|
||||
Atot[i] = 4.0 * MY_PI * pow(R, 2.0) + Atot_sum[i];
|
||||
Atot[i] = 4.0 * MY_PI * Rsq + Atot_sum[i];
|
||||
psi[i] = (Atot[i] - Acon1[i]) / Atot[i];
|
||||
|
||||
if (psi_b_coeff < psi[i]) {
|
||||
double w_confinement;
|
||||
( psi[i] > 0.1 ) ? w_confinement = 1.0/(1.0 + exp(-75.0*(psi[i]-0.2))) : w_confinement = 0.0;
|
||||
const double dR = MAX(dRnumerator[i] / (dRdenominator[i] - 4.0 * MY_PI * pow(R, 2.0))*w_confinement, 0.0);
|
||||
( psi[i] > 0.1 ) ? w_confinement = 1.0 / (1.0 + exp(-75.0 * (psi[i] - 0.2))) : w_confinement = 0.0;
|
||||
const double dR = MAX(dRnumerator[i] / (dRdenominator[i] - 4.0 * MY_PI * Rsq) * w_confinement, 0.0);
|
||||
|
||||
const double N_window = 10.0;
|
||||
if (dR > 0.0) dRavg[i] += (dR - dRavg[i]) / N_window;
|
||||
|
||||
@ -13,6 +13,7 @@
|
||||
|
||||
#include "gran_sub_mod_damping.h"
|
||||
|
||||
#include "error.h"
|
||||
#include "gran_sub_mod_normal.h"
|
||||
#include "fix_granular_mdr.h"
|
||||
#include "granular_model.h"
|
||||
@ -185,6 +186,14 @@ GranSubModDampingMDR::GranSubModDampingMDR(GranularModel *gm, LAMMPS *lmp) :
|
||||
|
||||
/* ---------------------------------------------------------------------- */
|
||||
|
||||
void GranSubModDampingMDR::init()
|
||||
{
|
||||
if (gm->normal_model->name != "mdr")
|
||||
error->all(FLERR, "Damping mdr can only be used with mdr normal model");
|
||||
}
|
||||
|
||||
/* ---------------------------------------------------------------------- */
|
||||
|
||||
double GranSubModDampingMDR::calculate_forces()
|
||||
{
|
||||
using namespace Granular_MDR_NS;
|
||||
|
||||
@ -49,7 +49,6 @@ namespace Granular_NS {
|
||||
class GranSubModDampingNone : public GranSubModDamping {
|
||||
public:
|
||||
GranSubModDampingNone(class GranularModel *, class LAMMPS *);
|
||||
void init() override{};
|
||||
double calculate_forces() override;
|
||||
};
|
||||
|
||||
@ -99,6 +98,7 @@ namespace Granular_NS {
|
||||
class GranSubModDampingMDR : public GranSubModDamping {
|
||||
public:
|
||||
GranSubModDampingMDR(class GranularModel *, class LAMMPS *);
|
||||
void init() override;
|
||||
double calculate_forces() override;
|
||||
};
|
||||
|
||||
|
||||
@ -978,7 +978,6 @@ double GranSubModNormalMDR::calculate_forces()
|
||||
return F;
|
||||
}
|
||||
|
||||
|
||||
/* ---------------------------------------------------------------------- */
|
||||
|
||||
double GranSubModNormalMDR::calculate_nonadhesive_mdr_force(double delta, double Ainv, double Eeff, double A, double B)
|
||||
|
||||
Reference in New Issue
Block a user