rename USER-LB to LATBOLTZ
This commit is contained in:
Axel Kohlmeyer
330
examples/PACKAGES/latboltz/dragforce/data.one_radius16d2
Normal file
330
examples/PACKAGES/latboltz/dragforce/data.one_radius16d2
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@ -0,0 +1,330 @@
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Position data for rigid sphere
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320 atoms
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1 atom types
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-160.0 160.0 xlo xhi
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-160.0 160.0 ylo yhi
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-160.0 160.0 zlo zhi
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Atoms
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288 1 4.8259422 15.2160227 2.7609708
|
||||
289 1 7.2578789 14.4104537 1.4498421
|
||||
290 1 7.3087468 14.3869684 -1.4273703
|
||||
291 1 -2.1964383 14.7067030 6.4287301
|
||||
292 1 -1.3821860 13.6026891 8.6888685
|
||||
293 1 -0.0556372 15.3962319 5.0391440
|
||||
294 1 -4.6331090 14.5324801 5.4572289
|
||||
295 1 -4.9242542 15.1891716 2.7351071
|
||||
296 1 -7.3445790 14.3702987 1.4112754
|
||||
297 1 -2.8905852 12.1690516 10.2955682
|
||||
298 1 -5.5788354 11.8642286 9.5161284
|
||||
299 1 -6.4796338 13.0864149 7.0142794
|
||||
300 1 -8.9221495 12.2378961 5.7505801
|
||||
301 1 -0.0504861 16.0086074 2.4823305
|
||||
302 1 2.4603866 15.9662714 1.2102480
|
||||
303 1 2.5033861 15.9183772 -1.6668385
|
||||
304 1 4.9429821 15.1373357 -2.9779224
|
||||
305 1 4.7926158 14.3914809 -5.6882456
|
||||
306 1 2.4488603 14.2817550 -7.2439342
|
||||
307 1 2.4595386 12.7238564 -9.7208113
|
||||
308 1 -0.0353290 15.8876578 -3.1656132
|
||||
309 1 -0.0257921 15.0507446 -5.9928663
|
||||
310 1 -2.4895607 14.2682398 -7.2566827
|
||||
311 1 -2.5822044 15.9043746 -1.6802125
|
||||
312 1 -5.0105239 15.1099456 -3.0040336
|
||||
313 1 -2.5546580 15.9524586 1.1970007
|
||||
314 1 9.0197693 10.1296833 -8.8585158
|
||||
315 1 6.8765145 11.6774520 -8.8764118
|
||||
316 1 10.3350078 10.5802893 -6.6094718
|
||||
317 1 9.4016683 8.0649147 -10.4405847
|
||||
318 1 7.3559706 7.5456009 -12.3042118
|
||||
319 1 4.9835159 9.2589832 -12.3237909
|
||||
320 1 4.8135124 11.3784814 -10.4785631
|
||||
10035
examples/PACKAGES/latboltz/dragforce/defaultgamma_drag.out
Normal file
10035
examples/PACKAGES/latboltz/dragforce/defaultgamma_drag.out
Normal file
File diff suppressed because it is too large
Load Diff
80
examples/PACKAGES/latboltz/dragforce/in.defaultgamma_drag
Normal file
80
examples/PACKAGES/latboltz/dragforce/in.defaultgamma_drag
Normal file
@ -0,0 +1,80 @@
|
||||
#===========================================================================#
|
||||
# Drag force on a single sphere. #
|
||||
# #
|
||||
# Here, gamma (used in the calculation of the particle-fluid interaction #
|
||||
# force) is calculated by default. The resulting equilibrium drag force #
|
||||
# should correspond to the Stokes drag force on a sphere with a slightly #
|
||||
# larger "hydrodynamic" radius, than that given by the placement of the #
|
||||
# particle nodes. #
|
||||
# #
|
||||
# Sample output from this run can be found in the file: #
|
||||
# 'defaultgamma_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
|
||||
|
||||
#----------------------------------------------------------------------------
|
||||
# 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
|
||||
|
||||
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 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 10.3059947).
|
||||
# Use the trilinear interpolation stencil to distribute the force from
|
||||
# a given particle onto the fluid mesh (results in a smaller hydrodynamic
|
||||
# radius than if the Peskin stencil is used).
|
||||
# Print the force and torque acting on the particle to the screen at each
|
||||
# timestep.
|
||||
#----------------------------------------------------------------------------
|
||||
fix 1 all lb/fluid 1 1 1.0 1.0 setArea 1 10.3059947 dx 4.0 dm 10.0 trilinear 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
|
||||
68
examples/PACKAGES/latboltz/dragforce/in.setgamma_drag
Normal file
68
examples/PACKAGES/latboltz/dragforce/in.setgamma_drag
Normal file
@ -0,0 +1,68 @@
|
||||
#===========================================================================#
|
||||
# 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
|
||||
10035
examples/PACKAGES/latboltz/dragforce/setgamma13d0_drag.out
Normal file
10035
examples/PACKAGES/latboltz/dragforce/setgamma13d0_drag.out
Normal file
File diff suppressed because it is too large
Load Diff
Reference in New Issue
Block a user