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lammps/examples/PACKAGES/dpd-smooth/2d-diffusion/in.lammps
2024-08-12 21:25:42 -04:00

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dimension 2
units micro
atom_style sph
variable R equal 0.5 # radius of sphere micrometers
variable a equal $R/5 # lattice spacing micrometers
variable L equal $R*3
variable T equal 300.
variable rho_0 equal 1. # density picograms/micrometer^3
variable c_0 equal 100. # speed of sound micrometers/microsecond
variable mu equal 1. # dynamic viscosity picogram/(micrometer-microsecond)
variable h equal $a*4.5 # kernel function cutoff micrometers
variable mass equal $a*$a*$a*${rho_0}
variable dt equal 1e-3 # timestep microseconds
variable skin equal 0.2*$h
region box block -$L $L -$L $L -0.5 0.5 units box
create_box 2 box
lattice sq $a
create_atoms 1 box
region sphere sphere 0 0 0 $R units box
set region sphere type 2
group fluid type 1
group sphere type 2
mass * ${mass}
set group all sph/rho ${rho_0}
pair_style sdpd/taitwater/isothermal $T ${mu} 76787 # temperature viscosity random_seed
pair_coeff * * ${rho_0} ${c_0} ${h}
fix 1 fluid sph
fix 2 sphere rigid/meso single
fix 2d all enforce2d
neighbor ${skin} bin
neigh_modify delay 0 every 1 check yes
timestep ${dt}
dump dump_id all atom 100 dump.lammpstrj
thermo 100
thermo_style custom step time nbuild ndanger
run 10000