def get_input_parameters(md_input_file, cfd_input_file):
mObj = LAMMPS_Input(md_input_file)
cObj = MOCK_Input(cfd_input_file)
# Calculate porosity and add to mObj
Vc = ((cObj.xyzL[0] - cObj.xyz_orig[0]) / cObj.ncxyz[0]) * (
(cObj.xyzL[1] - cObj.xyz_orig[1]) / cObj.ncxyz[1]) * (
(cObj.xyzL[2] - cObj.xyz_orig[2]) / cObj.ncxyz[2])
mObj.epsf = (Vc - (np.pi / 6) * (mObj.diameter**3)) / Vc
return mObj
def get_input_parameters(md_input_file='./lammps/resting.in',
cfd_case_dir='./openfoam'):
# LAMMPS script
mObj = LAMMPS_Input(md_input_file)
# Note cell volume hard-wired (for ease)
CELL_VOLUME = 0.1**3
mObj.epsf = (CELL_VOLUME - (np.pi / 6) * mObj.diameter**3) / CELL_VOLUME
cObj = OpenFOAM_Input(case_dir=cfd_case_dir)
_, Uf = cObj.read_0_file('./openfoam/0/Ub', 'inlet')
mObj.Uf = Uf[1]
return mObj
def get_input_parameters(md_input_file='./lammps/fluidised.in', cfd_case_dir='./openfoam/'):
mObj = LAMMPS_Input(md_input_file)
# OpenFOAM case
cObj = OpenFOAM_Input(case_dir=cfd_case_dir)
_, Uf = cObj.read_0_file('./openfoam/0/Ub', 'inlet')
mObj.fluid_velocity = Uf[1]
g = cObj.read_constant_file('./openfoam/constant/environmentalProperties', 'g')[1]
rhof = cObj.read_constant_file('./openfoam/constant/transportProperties', 'rhob')
nuf = cObj.read_constant_file('./openfoam/constant/transportProperties', 'nub')
muf = nuf*rhof
assert(mObj.gravity == -g)
assert(mObj.fluid_density == rhof)
assert(mObj.dynamic_viscosity == muf)
return mObj
def get_input_parameters(md_input_file='./lammps/column.in',
cfd_case_dir='./openfoam/'):
# LAMMPS script
mObj = LAMMPS_Input(md_input_file)
mObj.xyz_orig = np.array([mObj.xlo, mObj.ylo, mObj.zlo],
order='F',
dtype=np.float64)
mObj.xyzL = np.array([mObj.xhi, mObj.yhi, mObj.zhi],
order='F',
dtype=np.float64)
# The porosity is hardwired to the value of a simple cubic array.
mObj.epsf = 0.476401224402
# OpenFOAM case
cObj = OpenFOAM_Input(cfd_case_dir)
_, Uf = cObj.read_0_file('./openfoam/0/Ub', 'inlet')
mObj.Uf = Uf[1]
rhof = cObj.read_constant_file('./openfoam/constant/transportProperties',
'rhob')
nuf = cObj.read_constant_file('./openfoam/constant/transportProperties',
'nub')
muf = nuf * rhof
assert (mObj.fluid_density == rhof)
assert (mObj.dynamic_viscosity == muf)
return mObj
def get_input_parameters(md_input_file='./lammps/suzuki.in',
cfd_case_dir='./openfoam/'):
# LAMMPS input script
mObj = LAMMPS_Input(md_input_file)
# The porosity is hardwired to the value of a simple cubic array.
mObj.epsf = 0.476401224402
# OpenFOAM case
cObj = OpenFOAM_Input(case_dir=cfd_case_dir)
_, Uf = cObj.read_0_file('./openfoam/0/Ub', 'inlet')
mObj.Uf = Uf[1]
g = cObj.read_constant_file('./openfoam/constant/environmentalProperties',
'g')[1]
rhof = cObj.read_constant_file('./openfoam/constant/transportProperties',
'rhob')
nuf = cObj.read_constant_file('./openfoam/constant/transportProperties',
'nub')
muf = nuf * rhof
assert (mObj.gravity == -g)
assert (mObj.fluid_density == rhof)
assert (mObj.dynamic_viscosity == muf)
return mObj
def get_input_parameters(md_input_file='./lammps/terminal.in', cfd_case_dir='./openfoam/'):
# LAMMPS script
mObj = LAMMPS_Input(md_input_file)
# OpenFOAM case
cObj = OpenFOAM_Input(case_dir=cfd_case_dir)
cObj.g = cObj.read_constant_file('./openfoam/constant/environmentalProperties', 'g')[1]
cObj.rhof = cObj.read_constant_file('./openfoam/constant/transportProperties', 'rhob')
nuf = cObj.read_constant_file('./openfoam/constant/transportProperties', 'nub')
cObj.muf = nuf*cObj.rhof
assert(mObj.gravity == -cObj.g)
assert(mObj.fluid_density == cObj.rhof)
assert(mObj.dynamic_viscosity == cObj.muf)
return mObj
def get_input_parameters(md_input_file='./lammps/suzuki.in'):
mObj = LAMMPS_Input(md_input_file)
return mObj
npxyz = [1, 1, 1] xyzL = [0.1, 10.0, 0.1] xyz_orig = [0.0, 0.0, 0.0] ncxyz = [1, 100, 1] # -------------------------------------------------------- # USER INPUT - END # -------------------------------------------------------- # Parameters of the cpu topology (cartesian grid) npxyz = np.array(npxyz, order='F', dtype=np.int32) xyzL = np.array(xyzL, order='F', dtype=np.float64) xyz_orig = np.array(xyz_orig, order='F', dtype=np.float64) ncxyz = np.array(ncxyz, order='F', dtype=np.int32) # Extract relevant parameters from the LAMMPS input script. mObj = LAMMPS_Input(input_file='./lammps/terminal.in') muf = mObj.dynamic_viscosity rhof = mObj.fluid_density dp = mObj.diameter rhop = mObj.density g = -mObj.gravity Vc = ((xyzL[0]-xyz_orig[0])/ncxyz[0])*((xyzL[1]-xyz_orig[1])/ncxyz[1])*((xyzL[2]-xyz_orig[2])/ncxyz[2]) epsf = (Vc - (np.pi/6)*(dp**3))/Vc # Initialise drag force object fObj = Stokes(muf=muf, dp=dp, epsf=epsf) # initialise MPI comm = MPI.COMM_WORLD
npxyz = [1, 1, 1]
xyzL = [0.1, 10.0, 0.1]
xyz_orig = [0.0, 0.0, 0.0]
ncxyz = [1, 100, 1]
# --------------------------------------------------------
# USER INPUT - END
# --------------------------------------------------------
# Parameters of the cpu topology (cartesian grid)
npxyz = np.array(npxyz, order='F', dtype=np.int32)
xyzL = np.array(xyzL, order='F', dtype=np.float64)
xyz_orig = np.array(xyz_orig, order='F', dtype=np.float64)
ncxyz = np.array(ncxyz, order='F', dtype=np.int32)
# Extract relevant parameters from the LAMMPS input script.
mObj = LAMMPS_Input('./lammps/constant.in')
dragModel = mObj.dragModel
muf = mObj.dynamic_viscosity
rhof = mObj.fluid_density
dp = mObj.diameter
vy0 = mObj.vy0
CELL_VOLUME = ((xyzL[0] - xyz_orig[0]) / ncxyz[0]) * (
(xyzL[1] - xyz_orig[1]) / ncxyz[1]) * ((xyzL[2] - xyz_orig[2]) / ncxyz[2])
epsf = (CELL_VOLUME - (np.pi / 6) * (dp**3)) / CELL_VOLUME
if dragModel == 'Drag' or dragModel == 'Stokes':
fObj = Stokes(muf=muf, epsf=epsf, dp=dp)
elif dragModel == 'DiFelice':
fObj = DiFelice(muf=muf, rhof=rhof, epsf=epsf, dp=dp, Uf=0., Vp=vy0)
elif dragModel == 'Ergun':
def get_input_parameters(md_input_file='./lammps/fluidised.in'):
mObj = LAMMPS_Input(md_input_file)
return mObj
import sys
import numpy as np
import matplotlib.pyplot as plt
# Add python scripts to path and import required classes
sys.path.append('../python_scripts/')
from LAMMPS_Input import LAMMPS_Input
# Extract relevant parameters from the LAMMPS input script.
mObj = LAMMPS_Input('./lammps/fluidised.in')
dp = mObj.diameter
epsf = mObj.porosity
rhop = mObj.density
rhof = mObj.fluid_density
muf = mObj.dynamic_viscosity
g = mObj.gravity
# Range of inlet (superficial) velocity
Umf = np.linspace(0.5, 2.0, 100)
# Effective weight term
Ar = np.ones_like(Umf) * (1 - epsf) * (rhop - rhof) * g
# Driving fluid term (Di Felice)
Re = rhof * dp * Umf / muf
chi = 3.7 - 0.65 * np.exp(-0.5 * ((1.5 - np.log10(Re))**2))
Cd = (0.63 + 4.8 / np.sqrt(Re))**2
gradP_DiFelice = (3 * Cd * rhof /
(4 * dp)) * (1 - epsf) * (epsf**(-1 - chi)) * (Umf**2)
# Driving fluid term (Ergun)
def get_input_parameters(md_input_file='./lammps/constant.in'):
mObj = LAMMPS_Input(md_input_file)
return mObj
# --------------------------------------------------------
npxyz = [1, 1, 1]
xyzL = [0.1, 10.0, 0.1]
xyz_orig = [0.0, 0.0, 0.0]
ncxyz = [1, 100, 1]
# --------------------------------------------------------
# --------------------------------------------------------
# Parameters of the cpu topology (cartesian grid)
npxyz = np.array(npxyz, order='F', dtype=np.int32)
xyzL = np.array(xyzL, order='F', dtype=np.float64)
xyz_orig = np.array(xyz_orig, order='F', dtype=np.float64)
ncxyz = np.array(ncxyz, order='F', dtype=np.int32)
# Extract relevant parameters from the LAMMPS input script.
mObj = LAMMPS_Input('./lammps/suzuki.in')
dragModel = mObj.dragModel
muf = mObj.dynamic_viscosity
rhof = mObj.fluid_density
Uf = mObj.fluid_velocity
epsf = mObj.porosity
dp = mObj.diameter
g = -mObj.gravity
# initialise MPI
comm = MPI.COMM_WORLD
# Initialise CPL
CPL = CPL()
CFD_COMM = CPL.init(CPL.CFD_REALM)
cart_comm = CFD_COMM.Create_cart([npxyz[0], npxyz[1], npxyz[2]])
