54 lines
2.0 KiB
Plaintext
54 lines
2.0 KiB
Plaintext
########################################################################
|
|
#### 3D droplet oscilation using many-body DPD simulation ###
|
|
#### ###
|
|
#### Created : Zhen Li (zhen_li@brown.edu) ###
|
|
#### Division of Applied Mathematics, Brown University. ###
|
|
#### ###
|
|
#### mDPD parameters follow the choice of the publication: ###
|
|
#### Z. Li et al. "Three dimensional flow structures in a moving ###
|
|
#### droplet on substrate: a dissipative particle dynamics study" ###
|
|
#### Physics of Fluids, 2013, 25: 072103. DOI: 10.1063/1.4812366 ###
|
|
########################################################################
|
|
units lj
|
|
dimension 3
|
|
boundary p p p
|
|
neighbor 0.3 bin
|
|
neigh_modify every 1 delay 0 check yes
|
|
|
|
atom_style mdpd
|
|
comm_modify vel yes
|
|
|
|
region mdpd block -25 25 -10 10 -10 10 units box
|
|
create_box 1 mdpd
|
|
|
|
lattice fcc 6
|
|
region film block -20 20 -7.5 7.5 -2.0 2.0 units box
|
|
create_atoms 1 region film
|
|
|
|
pair_style hybrid/overlay mdpd/rhosum mdpd 1.0 1.0 9872598
|
|
pair_coeff 1 1 mdpd/rhosum 0.75
|
|
pair_coeff 1 1 mdpd -40 25 18.0 1.0 0.75
|
|
mass 1 1.0
|
|
|
|
compute mythermo all temp
|
|
thermo 100
|
|
thermo_modify temp mythermo
|
|
thermo_modify flush yes
|
|
|
|
velocity all create 1.0 38497 loop local dist gaussian
|
|
|
|
fix mvv all mvv/dpd
|
|
|
|
#dump mydump all atom 100 atom.lammpstrj
|
|
|
|
#dump jpg all image 200 image.*.jpg type type zoom 5 adiam 0.5 &
|
|
# view 90 90 box no 0 size 600 200
|
|
#dump_modify jpg pad 4
|
|
|
|
#dump avi all movie 200 movie.avi type type zoom 5 adiam 0.5 &
|
|
# view 90 90 box no 0 size 600 200
|
|
#dump_modify avi pad 4
|
|
|
|
timestep 0.01
|
|
run 4000
|