Dear lammps-users,
I tried to simulate couette flow with fix move command. Unfortunately, the fluid atoms confined between the parallel walls under shear penetrated through the wall and the fluid’s temperature was increasing from 1.0 to 1.2 or more (LJ unit). The script after equilibrium simulation is as following:
units lj
dimension 3
boundary p p s
atom_style full
neighbor 0.3 bin
neigh_modify delay 5
read_restart restart.1000000
pair_style lj/cut 3.0
pair_coeff ! 1 1 4 1 3.0
pair_coeff 1 2 2 1 3.0
pair_coeff 2 2 1 1 3.0
pair_modify shift yes
restart 1000000 restart.*
compute boun boundary temp
compute boun2 boundary temp/profile 0 1 1 z 4
compute mobile flow temp
compute mobile2 flow temp/profile 0 1 1 z 4
compute 3 all stress/atom
fix 1 flow nve
fix&nb! sp; & nbsp; 8 upper move linear 0.3 NULL NULL units box
fix 9 lower move linear -0.3 NULL NULL units box
fix 2 boundary temp/rescale 1 1.0 1.0 0.02 1.0
fix_modify 2 temp boun2
fix 14 all ave/spatial 200 1000 200000 z center 1 density/mass density/number vx vy vz c_3[5] ave window 25 file ds-1.file units box
thermo_style custom step temp press pe ke etotal vol c_boun2
thermo 5000
thermo_modify temp mobile2
timestep 0.005
dump &n! bsp; 1 all custom 100000 dump.lammpstrj id type x y z vx vy vz
run 40000000
Any comment is appreciated!
Sincerely,
Yan