wall = Wall(dist=PADDING, normal=[1, 0, 0])
system.constraints.add(shape=wall, particle_type=1)
wall = Wall(dist=-(LENGTH + PADDING), normal=[-1, 0, 0])
system.constraints.add(shape=wall, particle_type=1)
# Setup cone
IRAD = 4.0
ANGLE = pi / 4.0
ORAD = (DIAMETER - IRAD) / sin(ANGLE)
SHIFT = 0.25 * ORAD * cos(ANGLE)
hollow_cone = HollowCone(
center=[BOX_L[0] / 2.0 + SHIFT, BOX_L[1] / 2.0, BOX_L[2] / 2.0],
axis=[-1, 0, 0],
outer_radius=ORAD,
inner_radius=IRAD,
width=2.0,
opening_angle=ANGLE,
direction=1)
system.constraints.add(shape=hollow_cone, particle_type=1)
##########################################################################
#
# We set up a WCA (almost-hard) interaction between the particles and the
# confining geometry. We do not have particle-particle interactions, which
# are not necessary to observe rectification.
#
##########################################################################
SIGMA = 0.5
CUTOFF = 1.12246 * SIGMA
# from the edge of the box, with a normal along the x-axis
wall = ...
# Setup cone
irad = 4.0
angle = pi / 4.0
orad = (diameter - irad) / sin(angle)
shift = 0.25 * orad * cos(angle)
hollow_cone = LBBoundary(
shape=HollowCone(
center=[length / 2.0 + shift,
(diameter + 4) / 2.0,
(diameter + 4) / 2.0],
axis=[-1, 0, 0],
outer_radius=orad,
inner_radius=irad,
width=2.0,
opening_angle=angle,
direction=1))
system.lbboundaries.add(hollow_cone)
##########################################################################
# Output the geometry
lbf.print_vtk_boundary("{}/boundary.vtk".format(outdir))
################################################################################
## Exercise 2 ##
# Visualize this geometry using paraview
cylinder = Cylinder(...) system.constraints.add(shape=cylinder, particle_type=1) # Setup walls wall = Wall(...) system.constraints.add(shape=wall, particle_type=1) wall = Wall(...) system.constraints.add(shape=wall, particle_type=1) # Setup cone ... hollow_cone = HollowCone(...) system.constraints.add(shape=hollow_cone, particle_type=1) ########################################################################## # # We set up a WCA (almost-hard) interaction between the particles and the # confining geometry. We do not have particle-particle interactions, which # are not necessary to observe rectification. # ########################################################################## SIGMA = 0.5 CUTOFF = 1.12246 * SIGMA EPSILON = 1.0 SHIFT = 0.25
## Exercise 1 ##
# Set up two walls to cap the cylinder respecting the padding
# between them and the edge of the box, with a normal along the x-axis
wall = ...
# Setup cone
IRAD = 4.0
ANGLE = pi / 4.0
ORAD = (DIAMETER - IRAD) / sin(ANGLE)
SHIFT = 0.25 * ORAD * cos(ANGLE)
hollow_cone = LBBoundary(
shape=HollowCone(
center=[BOX_L[0] / 2. + SHIFT,
BOX_L[1] / 2.,
BOX_L[2] / 2.,
axis=[-1, 0, 0],
outer_radius=ORAD,
inner_radius=IRAD,
width=2.0,
opening_angle=ANGLE,
direction=1))
system.lbboundaries.add(hollow_cone)
##########################################################################
# Output the geometry
lbf.print_vtk_boundary("{}/boundary.vtk".format(outdir))
# from the edge of the box, with a normal along the x-axis
wall = ...
# Setup cone
irad = 4.0
angle = pi / 4.0
orad = (diameter - irad) / sin(angle)
shift = 0.25 * orad * cos(angle)
hollow_cone = LBBoundary(shape=HollowCone(position_x=length / 2.0 - shift,
position_y=(diameter + 4) / 2.0,
position_z=(diameter + 4) / 2.0,
orientation_x=1,
orientation_y=0,
orientation_z=0,
outer_radius=orad,
inner_radius=irad,
width=2.0,
opening_angle=angle,
direction=1))
system.lbboundaries.add(hollow_cone)
################################################################################
# Output the geometry
lbf.print_vtk_boundary("{}/boundary.vtk".format(outdir))
## Exercise 2 ##
# Visualize this geometry using paraview