# 3-d DPD flow simulation dimension 3 boundary p f p neighbor 1.0 bin neigh_modify delay 5 #reate_box 3 box read_restart poly.restart.1000 # create geometry lattice sc 3.00 #egion box block 0 10 -7.88 7.88 0 10 units box #reate_box 3 box #create_atoms 1 box #mass 1 1.00 #mass 2 1.00 #mass 3 1.00 # LJ potentials #air_style dpd 1.0 1.0 34387 #air_coeff * * 25 4.5 region 3 block INF INF -5 5 INF INF units box #group flow region 3 #attice fcc 4.5 region 1 block INF INF INF -5 INF INF units box #reate_atoms 2 region 1 #group lower region 1 #attice fcc 4.5 region 2 block INF INF 5 INF INF INF units box #reate_atoms 3 region 2 #group upper region 2 #group boundary union lower upper #et group lower type 2 #et group upper type 3 #et group flow type 1 # initial velocities compute mob all temp #velocity flow create 1.0 482748 temp mobile units box compute 1 all ke/atom compute 2 all stress/atom fix 1 lower temp/rescale 1 1.0 1.0 0.0 0.5 fix_modify 1 temp mob fix 2 upper temp/rescale 1 1.0 1.0 0.0 0.5 fix_modify 2 temp mob fix 3 lower spring/self 150.00 fix 4 upper spring/self 150.00 # Poisseuille flow fix 6 flow addforce 0.02 0.0 0.0 fix 9 flow msd 10 difcoefspring.txt fix 10 all ave/spatial 10 10 y 0.0 0.1333 keprofilespringk150.txt compute 1 fix 11 all ave/spatial 10 10 y 0.0 0.1333 stressprofilespringk150.txt compute 2 fix 12 all ave/spatial 10 10 y 0.0 0.1333 velprofilespringk150.txt atom vx norm sample fix 13 all ave/spatial 10 10 y 0.0 0.1333 denprofilespringk150.txt density number # Run timestep 0.01 thermo 10 thermo_modify temp mob run 1000