51 lines
1.4 KiB
Plaintext
51 lines
1.4 KiB
Plaintext
# Big colloid particles and small LJ particles
|
|
|
|
units lj
|
|
atom_style sphere
|
|
dimension 2
|
|
|
|
lattice sq 0.5
|
|
region box block 0 60 0 60 -0.5 0.5
|
|
create_box 2 box
|
|
create_atoms 1 box
|
|
change_box all triclinic
|
|
|
|
# remove two spheres of small particles and add large particles in the voids
|
|
region sphere1 sphere 20.0 20.0 0.0 10.0 units box
|
|
region sphere2 sphere 60.0 60.0 0.0 10.0 units box
|
|
delete_atoms region sphere1
|
|
delete_atoms region sphere2
|
|
create_atoms 2 single 20.0 20.0 0.0 units box
|
|
create_atoms 2 single 60.0 60.0 0.0 units box
|
|
|
|
set type 2 mass 400
|
|
set type 1 mass 1
|
|
set type 2 diameter 20
|
|
set type 1 diameter 1
|
|
|
|
velocity all create 1.44 87287 loop geom
|
|
|
|
# multi neighbor and comm for efficiency
|
|
|
|
neighbor 1 multi #multi/old
|
|
neigh_modify delay 0 collection/interval 2 1 20
|
|
comm_modify mode multi vel yes reduce/multi #multi/old
|
|
|
|
# granular potential
|
|
|
|
pair_style granular
|
|
pair_coeff * * hooke 1.0 0.5 tangential linear_history 1.0 0.5 0.1 damping mass_velocity
|
|
|
|
fix 1 all nph/sphere iso 0.0 1.0 10.0 drag 1.0
|
|
fix 2 all enforce2d
|
|
fix 3 all deform 1 xy erate 1e-3
|
|
|
|
#dump 1 all custom 1000 dump.granular id x y z radius
|
|
|
|
thermo_style custom step temp epair etotal press vol
|
|
thermo 100
|
|
|
|
timestep 0.005
|
|
|
|
run 2000
|