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updates to USER-SPH example scripts

This commit is contained in:
Steve Plimpton 2020-05-06 16:25:07 -06:00
parent 9e7765064c
commit 25632992f4
6 changed files with 47 additions and 47 deletions
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12
examples/USER/sph/cavity_flow/cavity_flow.lmp
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@ -1,6 +1,6 @@
dimension 2
units si
atom_style meso
atom_style sph
# create simulation box
region box block -0.050e-3 1.044e-3 -0.05e-3 1.044e-3 -1.0e-6 1.0e-6 units box
@ -28,7 +28,7 @@ group integrate_full union fluid driver
mass 3 2.0e-7
mass 2 2.0e-7
mass 1 4.0e-7
set group all meso/rho 1000.0
set group all sph/rho 1000.0
# use Tait's EOS in combination with Morris' laminar viscosity.
# We set rho_0 = 1000 kg/m^3, c = 0.1 m/s, h = 6.5e-5 m.
@ -37,8 +37,8 @@ pair_style hybrid sph/taitwater/morris
pair_coeff * * sph/taitwater/morris 1000 0.1 1.0e-3 6.5e-5
pair_coeff 2 3 none # exclude interaction between walls and shear driver
compute rho_peratom all meso/rho/atom
compute e_peratom all meso/e/atom
compute rho_peratom all sph/rho/atom
compute e_peratom all sph/e/atom
compute ke_peratom all ke/atom
compute esph all reduce sum c_e_peratom
compute ke all ke
@ -49,8 +49,8 @@ velocity driver set 0.001 0.0 0.0 units box
fix freeze_fix driver setforce 0.0 0.0 0.0
# do full time integration for shear driver and fluid, but keep walls stationary
fix integrate_fix_full integrate_full meso
fix integrate_fix_stationary walls meso/stationary
fix integrate_fix_full integrate_full sph
fix integrate_fix_stationary walls sph/stationary
dump dump_id all custom 100 dump.lammpstrj id type xs ys zs vx vy c_rho_peratom c_e_peratom
dump_modify dump_id first yes

14
examples/USER/sph/heatconduction/sph_heat_conduction_2d.lmp
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@ -1,4 +1,4 @@
# mesoscopic heat conduction
# SPH heat conduction
# heat flow from hot right region to cold left region
# compare the temperature profile at the end opf the simulation,
# contained in file dump.last, to analytic solution.
@ -6,7 +6,7 @@
#
dimension 2
units si
atom_style meso
atom_style sph
boundary f p p
lattice sq 0.01
@ -17,23 +17,23 @@ mass 1 1.0e-5
region left block EDGE 49.9 EDGE EDGE EDGE EDGE
region right block 50 EDGE EDGE EDGE EDGE EDGE
set region left meso/e 1.0 # internal energies
set region right meso/e 2.0
set group all meso/rho 0.1 # mesoscopic density is also needed for this pair style
set region left sph/e 1.0 # internal energies
set region right sph/e 2.0
set group all sph/rho 0.1 # SPH density is also needed for this pair style
# For correct temperature profiles, mescoscopic density and mass * number density must coincide!
pair_style sph/heatconduction
# i j diffusion coeff. cutoff
pair_coeff 1 1 1.0e-4 2.0e-2
compute ie_atom all meso/e/atom
compute ie_atom all sph/e/atom
compute ie all reduce sum c_ie_atom
thermo 10
thermo_style custom step temp c_ie
timestep 0.25e-1
neighbor 0.2e-2 bin
fix integrate_fix all meso/stationary
fix integrate_fix all sph/stationary
dump dump_fix all custom 10 dump.heat id type x y z c_ie_atom
dump_modify dump_fix first yes

14
examples/USER/sph/heatconduction/sph_heat_conduction_3d.lmp
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@ -1,11 +1,11 @@
# mesoscopic heat conduction
# SPH heat conduction
# heat flow from hot right region to cold left region
# compare the temperature profile at the end opf the simulation,
# contained in file dump.last, to analytic solution.
#
#
units si
atom_style meso
atom_style sph
newton on
boundary f p p
@ -17,9 +17,9 @@ mass 1 1.0e-5
region left block EDGE 49.9 EDGE EDGE EDGE EDGE
region right block 50 EDGE EDGE EDGE EDGE EDGE
set region left meso/e 1.0 # internal energies
set region right meso/e 2.0
set group all meso/rho 10.0 # mesoscopic density is also needed for this pair style
set region left sph/e 1.0 # internal energies
set region right sph/e 2.0
set group all sph/rho 10.0 # SPH density is also needed for this pair style
# For correct temperature profiles, mescoscopic density and mass * number density must coincide!
pair_style sph/heatconduction
@ -28,13 +28,13 @@ pair_coeff 1 1 1.0e-4 2.0e-2
neighbor 0.2e-2 bin
neigh_modify every 20 delay 0 check no
compute ie_atom all meso/e/atom
compute ie_atom all sph/e/atom
compute ie all reduce sum c_ie_atom
thermo_style custom step temp c_ie
thermo_modify norm no
fix integrate_fix all meso/stationary
fix integrate_fix all sph/stationary
thermo 10
timestep 0.25e-1

22
examples/USER/sph/shock_tube/shock2d.lmp
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@ -1,4 +1,4 @@
atom_style meso
atom_style sph
dimension 2
boundary s p p
@ -13,20 +13,20 @@ set region right type 2
mass 1 1
mass 2 0.25
set type 1 meso/e 2.5 # internal energy corresponding to p=1, rho=1
set type 2 meso/e 0.625 # internal energy corresponding to p=0.25, rho=0.25
set type 1 meso/rho 1.0
set type 2 meso/rho 0.25
set type 1 sph/e 2.5 # internal energy corresponding to p=1, rho=1
set type 2 sph/e 0.625 # internal energy corresponding to p=0.25, rho=0.25
set type 1 sph/rho 1.0
set type 2 sph/rho 0.25
pair_style hybrid/overlay sph/rhosum 1 sph/idealgas
pair_coeff * * sph/rhosum 4.0
pair_coeff * * sph/idealgas 0.75 4.0
compute rhoatom all meso/rho/atom
compute ieatom all meso/e/atom
compute emeso all reduce sum c_ieatom # total internal energy
compute rhoatom all shp/rho/atom
compute ieatom all sph/e/atom
compute esph all reduce sum c_ieatom # total internal energy
compute ke all ke
variable etot equal c_ke+c_emeso # total energy
variable etot equal c_ke+c_esph # total energy
# dump positions and local density
dump dump_id all custom 100 dump.2d id type x z y c_rhoatom
@ -35,10 +35,10 @@ dump_modify dump_id first yes
neighbor 0.5 bin
neigh_modify every 5 delay 0 check yes
thermo 10
thermo_style custom step c_ke c_emeso v_etot
thermo_style custom step c_ke c_esph v_etot
thermo_modify norm no
fix integration_fix all meso
fix integration_fix all sph
fix 1 all setforce NULL 0.0 0.0 # treat as a quasi 1d problem
timestep 0.05
log log.2d

22
examples/USER/sph/shock_tube/shock3d.lmp
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@ -1,4 +1,4 @@
atom_style meso
atom_style sph
boundary s p p
region box block -100 150 -4 4 -4 4 units box
@ -12,20 +12,20 @@ set region right type 2
mass 1 1
mass 2 0.25
set type 1 meso/e 2.5 # internal energy corresponding to p=1, rho=1
set type 2 meso/e 0.625 # internal energy corresponding to p=0.25, rho=0.25
set type 1 meso/rho 1.0
set type 2 meso/rho 0.25
set type 1 sph/e 2.5 # internal energy corresponding to p=1, rho=1
set type 2 sph/e 0.625 # internal energy corresponding to p=0.25, rho=0.25
set type 1 sph/rho 1.0
set type 2 sph/rho 0.25
pair_style hybrid/overlay sph/rhosum 1 sph/idealgas
pair_coeff * * sph/rhosum 4.0
pair_coeff * * sph/idealgas 0.75 4.0
compute rhoatom all meso/rho/atom
compute ieatom all meso/e/atom
compute emeso all reduce sum c_ieatom # total internal energy
compute rhoatom all sph/rho/atom
compute ieatom all sph/e/atom
compute esph all reduce sum c_ieatom # total internal energy
compute ke all ke
variable etot equal c_ke+c_emeso # total energy
variable etot equal c_ke+c_esph # total energy
# dump positions and local density
dump dump_id all custom 100 dump.3d id type x z y c_rhoatom
@ -34,10 +34,10 @@ dump_modify dump_id first yes
neighbor 0.5 bin
neigh_modify every 5 delay 0 check yes
thermo 10
thermo_style custom step c_ke c_emeso v_etot
thermo_style custom step c_ke c_esph v_etot
thermo_modify norm no
fix integration_fix all meso
fix integration_fix all sph
fix 1 all setforce NULL 0.0 0.0 # treat as a quasi 1d problem
timestep 0.05
log log.3d

10
examples/USER/sph/water_collapse/water_collapse.lmp
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@ -1,5 +1,5 @@
processors * 1 1 # manually assign processors to spatial regions
atom_style meso
atom_style sph
dimension 2
newton on
boundary f f p
@ -22,8 +22,8 @@ pair_coeff 1 1 sph/rhosum ${h}
fix gfix water gravity -9.81 vector 0 1 0 # add gravity. This fix also computes potential energy of mass in gravity field.
fix 2d_fix all enforce2d
compute rho_peratom all meso/rho/atom
compute e_peratom all meso/e/atom
compute rho_peratom all sph/rho/atom
compute e_peratom all sph/e/atom
compute esph all reduce sum c_e_peratom
compute ke all ke
variable etot equal c_esph+c_ke+f_gfix
@ -32,10 +32,10 @@ variable etot equal c_esph+c_ke+f_gfix
fix dtfix all dt/reset 1 NULL ${dt} 0.0005 units box # use a variable timestep
# time-integrate position, velocities, internal energy and density of water particles
fix integrate_water_fix water meso
fix integrate_water_fix water sph
# time-integrate only internal energy and density of boundary particles
fix integrate_bc_fix bc meso/stationary
fix integrate_bc_fix bc sph/stationary
dump dump_id all custom 100 dump.lammpstrj id type xs ys zs c_rho_peratom c_e_peratom fx fy
dump_modify dump_id first yes
thermo 10