Homec4science
Diffusion lammps (efficient_neuronet) Browse

lammps/examples/USER/lb/dragforce/in.setgamma_drag
6864dfa2d184efficient_neuronet

Last Change
Raw File

in.setgamma_drag
View Options

#===========================================================================#
# Drag force on a single sphere. #
# #
# Here, gamma (used in the calculation of the particle-fluid interaction #
# force) is set by the user (gamma = 13.0 for this simulation.) This #
# type of simulation is used to calibrate the value for gamma which will #
# give the desired Stokes drag force. #
# #
# Sample output from this run can be found in the file: #
# 'setgamma13d0_drag.out' #
#===========================================================================#
units micro
dimension 3
boundary p p f
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
read_data data.one_radius16d2
#----------------------------------------------------------------------------
# None of the particles comprising the spherical colloidal object should
# interact with one another.
#----------------------------------------------------------------------------
pair_style lj/cut 2.45
pair_coeff * * 0.0 0.0 2.45
neigh_modify exclude type 1 1
mass * 1.0
timestep 4.0
velocity all 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 LB integration scheme of Ollila et. al. (for stability reasons,
# this integration scheme should be used when a large user set value for
# gamma is specified), a fluid density = 1.0, fluid viscosity = 1.0, value
# for gamma=13.0, lattice spacing dx=4.0, and mass unit, dm=10.0.
# Print the force and torque acting on the particle to the screen at each
# timestep.
#----------------------------------------------------------------------------
fix 1 all lb/fluid 1 2 1.0 1.0 setGamma 13.0 dx 4.0 dm 10.0 calcforce 10 all
#---------------------------------------------------------------------------
# For this simulation the colloidal particle moves at a constant velocity
# through the fluid. As such, we do not wish to apply the force from
# the fluid back onto the object. Therefore, we do not use any of the
# viscous_lb, rigid_pc_sphere, or pc fixes, and simply integrate the
# particle motion using one of the built-in LAMMPS integrators.
#---------------------------------------------------------------------------
fix 2 all nve
run 100000
c4science · Help