#This input script is currently setup up for a room temperature simulation. 
#All settings remained the same between each temperature model, except for the fix m1, fix m2, fix m3, fix m4, and fix m5 commands.
#The fix m1,m2,m3,m4 and m5 commands were changed to correspond to the high temperature flow properties for the given simulation
#The corresponding high temperature mechanical properties are listed at the end of this file.
#A full description of the model geometries called in the fix mesh commands are available in the published manuscript


##Begin input script
#Simple chute wear test
atom_style    sphere
atom_modify   map array
boundary      f f f
newton        off


communicate   single cutoff 0.0002356 vel yes
units         si
#change processors to match computing nodes used
processors    12 1 4 grid twolevel 24 12 1 2

region        domain block 0. 0.33 0.034 0.065 0 0.03978 units box 
create_box    4 domain

neighbor      0.0002356 bin
neigh_modify  delay 0 

hard_particles yes


#Material properties required for new pair styles


fix		m1 all property/global youngsModulus peratomtype 3.6e11 2.09e11 2.8e9 2.09e11
fix		m2 all property/global poissonsRatio peratomtype 0.25 0.283 0.38 0.283
fix 		m3 all property/global coefficientRestitution peratomtypepair 4 0.5 0.5221 0.1 0.5221 0.5221 0.5306 0.696 0.5306 0.1 0.696 0.5 0.696 0.5221 0.5306 0.696 0.5306
fix		m4 all property/global coefficientFriction peratomtypepair 4 0.50 1.016 0.25 0 1.016 0.509 0.784 0 0.25 0.784 0.37 0 0 0 0 0
fix 		m5 all property/global coefficientRollingFriction peratomtypepair 4 0.5 0.403 0.25 0 0.403 0.371 0.393 0 0.25 0.393 0.25 0 0 0 0 0
#New pair style
pair_style  gran model hertz tangential history rolling_friction cdt #zian without cohesion
pair_coeff  * *


timestep    0.0000001

fix  gravi1 all gravity 8.717 vector 0.0 -1.0 0.0
fix gravi2 all gravity 4.499 vector 1.0 0.0 0.0

#the chute
fix cad2 all mesh/surface file meshes/incline_nowalls.stl type 1 curvature_tolerant yes
fix hopwall all mesh/surface file meshes/hopwall.stl type 3 curvature_tolerant yes
fix hoptop all mesh/surface file meshes/hopwalltop.stl type 3 curvature_tolerant yes
fix partbot all mesh/surface/planar file meshes/partbot.stl type 1
fix partmid all mesh/surface/planar file meshes/partmid.stl type 1
fix parttop all mesh/surface/planar file meshes/parttop.stl type 1
fix  granwalls all wall/gran model hertz tangential history rolling_friction cdt mesh n_meshes 3 meshes cad2 hopwall hoptop  
fix  symmwall all wall/gran model hertz tangential history rolling_friction cdt primitive type 4 zplane 0.03978
fix  alumwall all wall/gran model hertz tangential history rolling_friction cdt primitive type 1 zplane 0.
fix massplane all mesh/surface/planar file meshes/massplane.stl type 1

#distributions for insertion
fix  pts1 all particletemplate/sphere 15485863 atom_type 2 density constant 3270 radius constant 0.0002356 #shape constant 0.000163399 0.000163399 0.000440967 blockiness constant ${blockiness1} ${blockiness2} #radius constant 0.0002265
fix pts2 all particletemplate/sphere 13466917 atom_type 2 density constant 3270 radius constant 0.0001904 #shape constant 0.000130756 0.000130756 0.000352871 blockiness constant ${blockiness1} ${blockiness2} #radius constant 0.00018125
fix pts3 all particletemplate/sphere 15485867 atom_type 2 density constant 3270 radius constant 0.0003049 # shape constant 0.000261511 0.000261511 0.000705742 blockiness constant ${blockiness1} ${blockiness2} # radius constant 0.0003625
fix pts4 all particletemplate/sphere 6972593 atom_type 2 density constant 3270 radius constant 0.0001369 # shape constant 0.0000923405 0.0000923405 0.0002492 blockiness constant ${blockiness1} ${blockiness2} # radius constant 0.000128

#fix  pdd1 all particledistribution/discrete 32452843 4 pts1 0.4202 pts2 0.5613 pts3 0.0032 pts4 0.0153
fix  pddlow all particledistribution/discrete 32452843 3 pts1 0.08571553 pts2 0.790213666 pts4 0.124070801
fix pddmid all particledistribution/discrete 32452843 3 pts1 0.289809617 pts2 0.689043843 pts4 0.02114654
fix pddtop all particledistribution/discrete 32452843 4 pts1 0.474235 pts2 0.514627 pts3 0.005117 pts4 0.006021

#particle region and insertion

region partbottom block 0.047 0.0651 0.0469679 0.04789602 0.01438 0.03978 units box
region partmiddle block 0.049 0.0651 0.04789602 0.04911262 0.01438 0.03978 units box
region parttop block 0.052 0.0651 0.04911262 0.05088852 0.01438 0.03978 units box
region travelbot block 0.046 0.048 0.0469679 0.04789602 0.01438 0.03978 units box
region travelmid block 0.048 0.05 0.04789602 0.04911262 0.01438 0.03978 units box
region traveltop block 0.05 0.052 0.04862516 0.05040106 0.01438 0.03978 units box

#0.05040106
#0.04902516
#0.04911262

group nve_group region domain 
fix    		part1 nve_group insert/pack seed 10007 distributiontemplate pddlow maxattempt 1000 insert_every once overlapcheck yes all_in yes vel constant 0.017961 0. 0. random_distribute uncorrelated region partbottom volumefraction_region 0.1875 
fix		part2 nve_group insert/pack seed 49979687 distributiontemplate pddmid maxattempt 1000 insert_every once overlapcheck yes all_in yes vel constant 0.049282 0. 0. random_distribute uncorrelated region partmiddle volumefraction_region 0.5
fix 		part3 nve_group insert/pack seed 67867967 distributiontemplate pddtop maxattempt 1000 insert_every once overlapcheck yes all_in yes vel constant 0.076176 0. 0. random_distribute uncorrelated region parttop volumefraction_region 0.55
fix		travbot nve_group insert/pack seed 10009 distributiontemplate pddlow maxattempt 1000 insert_every 260904 overlapcheck yes all_in yes vel constant 0.017961 0. 0. random_distribute uncorrelated region travelbot volumefraction_region 0.1875
fix 		travmid nve_group insert/pack seed 10037 distributiontemplate pddmid maxattempt 1000 insert_every 208114 overlapcheck yes all_in yes vel constant 0.049282 0. 0. random_distribute uncorrelated region travelmid volumefraction_region 0.5
fix 		travtop nve_group insert/pack seed 10039 distributiontemplate pddtop maxattempt 1000 insert_every 173574 overlapcheck yes all_in yes vel constant 0.076176 0. 0. random_distribute uncorrelated region traveltop volumefraction_region 0.60

#0.049282
##0.076176
#0.0157915
#0.049619
#
#apply nve integration to all particles that are inserted as single particles
fix    integr nve_group nve/sphere

#output settings, include total thermal energy
compute       rke all erotate/sphere
compute       kin_e all ke
compute       a_f all pair/gran/local pos id force
variable vel atom sqrt(vx*vx+vy*vy+vz*vz)
compute vmax all reduce max v_vel
variable vmax equal c_vmax

thermo_style  custom step atoms c_rke c_kin_e c_vmax cpu time
thermo        100000
thermo_modify lost ignore norm no
compute_modify thermo_temp dynamic yes

fix massout all massflow/mesh mesh massplane vec_side 1. 0. 0. file postmass/massout_2.txt writeTime

#insert the first particles so that dump is not empty
run    1 
dump   dmp all custom/vtk 100000 postregionroom3/chute_*.vtk id type mass x y z vx vy vz fx fy fz radius f_massflow_massout

#restart 5000000 restartroom.*

run   220000000
##End input script

##200 C Flow Properties
#fix             m1 all property/global youngsModulus peratomtype 3.52e11 2.06e11 2.8e9 2.06e11
#fix             m2 all property/global poissonsRatio peratomtype 0.253 0.283 0.38 0.283
#fix             m3 all property/global coefficientRestitution peratomtypepair 4 0.5 0.53 0.1 0.53 0.53 0.512 0.696 0.512 0.1 0.696 0.5 0.696 0.53 0.512 0.696 0.512
#fix             m4 all property/global coefficientFriction peratomtypepair 4 0.50 1.11 0.25 0 1.11 0.5292 0.784 0 0.25 0.784 0.37 0 0 0 0 0
#fix             m5 all property/global coefficientRollingFriction peratomtypepair 4 0.5 0.323 0.25 0 0.323 0.284 0.393 0 0.25 0.393 0.25 0 0 0 0 0

##400 C Flow Properties
#fix             m1 all property/global youngsModulus peratomtype 3.43e11 2.02e11 2.8e9 2.02e11
#fix             m2 all property/global poissonsRatio peratomtype 0.256 0.285 0.38 0.285
#fix             m3 all property/global coefficientRestitution peratomtypepair 4 0.5 0.5015 0.1 0.5015 0.5015 0.5018 0.696 0.5018 0.1 0.696 0.5 0.696 0.5015 0.5018 0.696 0.5018
#fix             m4 all property/global coefficientFriction peratomtypepair 4 0.50 1.045 0.25 0 1.045 0.552 0.784 0 0.25 0.784 0.37 0 0 0 0 0
#fix             m5 all property/global coefficientRollingFriction peratomtypepair 4 0.5 0.297 0.25 0 0.297 0.286 0.393 0 0.25 0.393 0.25 0 0 0 0 0

##600 C Flow Properties
#fix             m1 all property/global youngsModulus peratomtype 3.35e11 1.97e11 2.8e9 1.97e11
#fix             m2 all property/global poissonsRatio peratomtype 0.26 0.286 0.38 0.286
#fix             m3 all property/global coefficientRestitution peratomtypepair 4 0.5 0.491 0.1 0.491 0.491 0.461 0.696 0.461 0.1 0.696 0.5 0.696 0.491 0.461 0.696 0.461
#fix             m4 all property/global coefficientFriction peratomtypepair 4 0.50 0.958 0.25 0 0.958 0.631 0.784 0 0.25 0.784 0.37 0 0 0 0 0
#fix             m5 all property/global coefficientRollingFriction peratomtypepair 4 0.5 0.322 0.25 0 0.322 0.277 0.393 0 0.25 0.393 0.25 0 0 0 0 0

##800 C Flow Properties
#fix             m1 all property/global youngsModulus peratomtype 3.27e11 1.91e11 2.8e9 1.91e11
#fix             m2 all property/global poissonsRatio peratomtype 0.263 0.289 0.38 0.289
#fix             m3 all property/global coefficientRestitution peratomtypepair 4 0.5 0.4866 0.1 0.4866 0.4866 0.4468 0.696 0.4468 0.1 0.696 0.5 0.696 0.4866 0.4468 0.696 0.4468
#fix             m4 all property/global coefficientFriction peratomtypepair 4 0.50 0.948 0.25 0 0.948 0.797 0.784 0 0.25 0.784 0.37 0 0 0 0 0
#fix             m5 all property/global coefficientRollingFriction peratomtypepair 4 0.5 0.356 0.25 0 0.356 0.335 0.393 0 0.25 0.393 0.25 0 0 0 0 0