Homec4science
Diffusion lammps (lammm-master) Browse

lammps/examples/USER/lb/fourspheres/in.fourspheres_default_gamma
2e8da581f283lammm-master

Last Change
Raw File

in.fourspheres_default_gamma
View Options

#===========================================================================#
# Sytem of 2 pairs of rigid particles moving towards one another. #
# At each timestep, the hydrodynamic force acting on one of these four #
# rigid particles is printed to the screen. #
# #
# Here, gamma (used in the calculation of the particle-fluid interaction #
# force) is calculated by default. Thus, the colloidal objects will have #
# slightly larger "hydrodynamic" radii than given by the placement of the #
# particle nodes. #
# #
# Sample output from this run can be found in the file: #
# 'fourspheres_velocity0d0001_defaultgamma.out' #
#===========================================================================#
units micro
dimension 3
boundary p p p
atom_style atomic
#----------------------------------------------------------------------------
# Need a neighbor bin size smaller than the lattice-Boltzmann grid spacing
# to ensure that the particles belonging to a given processor remain inside
# that processors lattice-Boltzmann grid.
# The arguments for neigh_modify have been set to "delay 0 every 1", again
# to ensure that the particles belonging to a given processor remain inside
# that processors lattice-Boltzmann grid. However, these values can likely
# be somewhat increased without issue. If a problem does arise (a particle
# is outside of its processors LB grid) an error message is printed and
# the simulation is terminated.
#----------------------------------------------------------------------------
neighbor 1.0 bin
neigh_modify delay 0 every 1 exclude type 1 1
read_data data.four
#----------------------------------------------------------------------------
# None of the particles interact with one another.
#----------------------------------------------------------------------------
pair_style lj/cut 2.45
pair_coeff * * 0.0 0.0 2.45
#----------------------------------------------------------------------------
# Need to use a large particle mass in order to approximate an infintely
# massive particle, moving at constant velocity through the fluid.
#----------------------------------------------------------------------------
mass * 10000.0
timestep 3.0
group sphere1 id <> 1 320
group sphere2 id <> 321 640
group sphere3 id <> 641 960
group sphere4 id <> 961 1280
velocity sphere1 set 0.0 0.0001 0.0 units box
velocity sphere2 set 0.0 -0.0001 0.0 units box
velocity sphere3 set 0.0 0.0001 0.0 units box
velocity sphere4 set 0.0 -0.0001 0.0 units box
#---------------------------------------------------------------------------
# Create a lattice-Boltzmann fluid covering the simulation domain.
# All of the particles in the simulation apply a force to the fluid.
# Use the standard LB integration scheme, a fluid density = 1.0,
# fluid viscosity = 1.0, lattice spacing dx=4.0, and mass unit, dm=10.0.
# Use the default method to calculate the interaction force between the
# particles and the fluid. This calculation requires the surface area
# of the composite object represented by each particle node. By default
# this area is assumed equal to dx*dx; however, since this is not the case
# here, it is input through the setArea keyword (i.e. particles of type 1
# correspond to a surface area of 2.640508625).
# Print the force and torque acting on one of the spherical colloidal objects
# to the screen at each timestep.
#----------------------------------------------------------------------------
fix 1 all lb/fluid 1 1 1.0 1.0 setArea 1 2.640508625 dx 4.0 dm 10.0 calcforce 20 sphere1
#---------------------------------------------------------------------------
# For this simulation the colloidal particles move at a constant velocity
# through the fluid. As such, we do not wish to apply the force from
# the fluid back onto these objects. Therefore, we do not use any of the
# viscous_lb, rigid_pc_sphere, or pc fixes, and simply integrate the
# particle motions using one of the built-in LAMMPS integrators.
#---------------------------------------------------------------------------
fix 2 all nve
run 300000
c4science · Help