- bufferThe buffers to output
C++ Type:std::vector<std::string>
Controllable:No
Description:The buffers to output
XDMFTensorOutput
Output a tensor in XDMF format.
This TensorOutput object writes tensors to an XDMF data file set. The parameter "enable_hdf5" enables writing of the raw tensor data to an HDF5 file. The resulting data items will be bamed /var.n, where var is the name of the exported tensor and n is the simulation step. Output as cell or node centered data is supported and can be selected using the "output_mode" parameter. Cell centered output results in a value per simulation grid cell (e.g. N[0] * N[1] * N[2] entries), while for node centered output the cell edge nodes are periodically replicated, resulting in (N[0]+1) * (N[1]+1) * (N[2]+1) exported entries.
commentnote:Parallel limitation
When running with more than one MPI rank, this output currently supports only CELL mode. Each rank writes its local data to rank-suffixed files and rank 0 emits the global XDMF collection that references those blocks.
Overview
Writes one or more buffers selected by "buffer" to an XDMF/HDF5 pair suitable for Paraview or Visit. Enable HDF5 with "enable_hdf5" and select cell or node data with "output_mode".
Example Input File Syntax
[TensorOutputs<<<{"href": "../../syntax/TensorOutputs/index.html"}>>>]
[xdmf2]
type = XDMFTensorOutput<<<{"description": "Output a tensor in XDMF format.", "href": "XDMFTensorOutput.html"}>>>
buffer<<<{"description": "The buffers to output"}>>> = 'rho u speed binary_media'
output_mode<<<{"description": "Output as cell or node data"}>>> = 'Cell Cell Cell Cell'
enable_hdf5<<<{"description": "Use HDF5 for binary data storage."}>>> = true
[]
[]Input Parameters
- enable_hdf5FalseUse HDF5 for binary data storage.
Default:False
C++ Type:bool
Controllable:No
Description:Use HDF5 for binary data storage.
- execute_onINITIAL TIMESTEP_ENDThe list of flag(s) indicating when this object should be executed. For a description of each flag, see https://mooseframework.inl.gov/source/interfaces/SetupInterface.html.
Default:INITIAL TIMESTEP_END
C++ Type:ExecFlagEnum
Options:INITIAL, TIMESTEP_END
Controllable:No
Description:The list of flag(s) indicating when this object should be executed. For a description of each flag, see https://mooseframework.inl.gov/source/interfaces/SetupInterface.html.
- file_baseThe desired solution output name without an extension. If not provided, MOOSE sets it with Outputs/file_base when available. Otherwise, MOOSE uses input file name and this object name for a master input or uses master file_base, the subapp name and this object name for a subapp input to set it.
C++ Type:std::string
Controllable:No
Description:The desired solution output name without an extension. If not provided, MOOSE sets it with Outputs/file_base when available. Otherwise, MOOSE uses input file name and this object name for a master input or uses master file_base, the subapp name and this object name for a subapp input to set it.
- hdf5_compressionTrueEnable DEFLATE compression for HDF5 datasets.
Default:True
C++ Type:bool
Controllable:No
Description:Enable DEFLATE compression for HDF5 datasets.
- output_modeOutput as cell or node data
C++ Type:MultiMooseEnum
Options:CELL, NODE, OVERSIZED_NODAL
Controllable:No
Description:Output as cell or node data
- transposeTrueThe Paraview XDMF reader swaps x-y (x-z in 3d), so we transpose the tensors before we output to make the data look right in Paraview.
Default:True
C++ Type:bool
Controllable:No
Description:The Paraview XDMF reader swaps x-y (x-z in 3d), so we transpose the tensors before we output to make the data look right in Paraview.
Optional Parameters
- control_tagsAdds user-defined labels for accessing object parameters via control logic.
C++ Type:std::vector<std::string>
Controllable:No
Description:Adds user-defined labels for accessing object parameters via control logic.
- enableTrueSet the enabled status of the MooseObject.
Default:True
C++ Type:bool
Controllable:No
Description:Set the enabled status of the MooseObject.
Advanced Parameters
Input Files
- (examples/cahn_hilliard/cahnhilliard4.i)
- (examples/lbm/Phase-field/static_bubble_3d.i)
- (test/tests/real_space/laplacian3d.i)
- (examples/lbm/natural_convection_3D/convection.i)
- (test/tests/typed_tensors/gradient_vector.i)
- (examples/lbm/rarefied_gas/channel.i)
- (test/tests/tensor_compute/coupled_pf_mech.i)
- (examples/cahn_hilliard/cahnhilliard3.i)
- (test/tests/mechanics/mech.i)
- (examples/phase_field_crystal/pfc_fcc_atomic_structure.i)
- (benchmarks/02_oswald_ripening/2a.i)
- (test/tests/typed_tensors/gradient.i)
- (test/tests/real_space/diffusion.i)
- (test/tests/kks/KKS_no_flux_bc.i)
- (test/tests/tensor_compute/smooth_rectangle.i)
- (test/tests/mechanics/mech3d.i)
- (examples/phase_field_crystal/pfc_fcc_atomic_structure_3d.i)
- (test/tests/tensor_compute/rotating_grain_secant.i)
- (examples/lbm/Phase-field/droplet_impact.i)
- (examples/lbm/Phase-field/spinodal_decomposition.i)
- (test/tests/cahnhilliard/cahnhilliard.i)
- (examples/lbm/Karman-vortex/cylinder.i)
- (examples/swift_hohenberg/swifthohenberg.i)
- (test/tests/tensor_compute/coupled_pf_mech_secant.i)
- (test/tests/tensor_compute/parallel.i)
- (test/tests/real_space/laplacian.i)
- (examples/degeus_mechanics/mech.i)
- (examples/lbm/Phase-field/static_bubble.i)
- (test/tests/tensor_compute/parallel_roundtrip_3d.i)
- (benchmarks/02_oswald_ripening/2a_secant.i)
- (examples/cahn_hilliard/cahnhilliard2.i)
- (test/tests/tensor_compute/group.i)
- (examples/lbm/Formula1-aerodynamics/f1.i)
- (test/tests/kks/KKS_libtorch.i)
- (examples/lbm/Rayleigh-Benard/rayleigh-benard.i)
- (examples/lbm/Phase-field/layered_poiseuille.i)
- (examples/libtorch_kks/KKS_libtorch.i)
- (test/tests/tensor_compute/pfc_fcc.i)
- (examples/lbm/Pebbles/pebbles.i)
enable_hdf5
Default:False
C++ Type:bool
Controllable:No
Description:Use HDF5 for binary data storage.
output_mode
C++ Type:MultiMooseEnum
Options:CELL, NODE, OVERSIZED_NODAL
Controllable:No
Description:Output as cell or node data
buffer
C++ Type:std::vector<std::string>
Controllable:No
Description:The buffers to output
enable_hdf5
Default:False
C++ Type:bool
Controllable:No
Description:Use HDF5 for binary data storage.
output_mode
C++ Type:MultiMooseEnum
Options:CELL, NODE, OVERSIZED_NODAL
Controllable:No
Description:Output as cell or node data
(examples/lbm/Karman-vortex/cylinder.i)
[Domain]
dim = 2
nx = 800
ny = 200
xmax = 4
ymax = 1
device_names='cpu'
parallel_mode = REAL_SPACE
periodic_directions = 'X Y'
[]
[Stencil]
[d2q9]
type = LBMD2Q9
[]
[]
[TensorBuffers]
[rho]
type=LBMTensorBuffer
buffer_type = ms
[]
[u]
type=LBMTensorBuffer
buffer_type = mv
[]
[speed]
type=LBMTensorBuffer
buffer_type = ms
[]
[f]
type=LBMTensorBuffer
buffer_type = df
[]
[feq]
type=LBMTensorBuffer
buffer_type = df
[]
[f_post_collision]
type=LBMTensorBuffer
buffer_type = df
[]
[binary_media]
type = LBMTensorBuffer
file = binary_media.h5
is_integer = true
buffer_type = ms
[]
[]
[TensorComputes]
[Initialize]
[rho]
type=LBMConstantTensor
buffer=rho
constants = rho0
[]
[u]
type=LBMConstantTensor
buffer=u
constants = 'Ux Uy'
[]
[speed]
type=LBMComputeVelocityMagnitude
buffer=speed
velocity=u
[]
[feq]
type=LBMEquilibrium
buffer=feq
bulk=rho
velocity=u
[]
[f]
type=LBMEquilibrium
buffer=f
bulk=rho
velocity=u
[]
[f_post_coll]
type=LBMEquilibrium
buffer=f_post_collision
bulk=rho
velocity=u
[]
[]
[Solve]
[Density]
type = LBMComputeDensity
buffer=rho
f = f
[]
[Velocity]
type = LBMComputeVelocity
buffer=u
f = f
rho = rho
[]
[Equilibrium]
type = LBMEquilibrium
buffer=feq
bulk=rho
velocity=u
[]
[Collision]
type = LBMSmagorinskyCollision
buffer = f_post_collision
f = f
feq = feq
tau0 = tau
projection=true
[]
[Speed]
type = LBMComputeVelocityMagnitude
buffer = speed
velocity = u
[]
[Residual]
type = LBMComputeResidual
buffer = speed
speed = speed
[]
[]
[Boundary]
[wall]
type = LBMBounceBack
buffer = f
f_old = f_post_collision
boundary = wall
[]
[left]
type = LBMFixedFirstOrderBC
buffer=f
f=f
value='Ux'
perturb=true
boundary=left
[]
[right]
type = LBMMicroscopicZeroGradientBC
buffer=f
boundary=right
[]
[]
[]
[TensorSolver]
type = LBMStream
buffer = f
f_old = f_post_collision
root_compute=residual
[]
[Postprocessors]
[rho_avg]
type = TensorAveragePostprocessor
buffer = rho
execute_on = 'TIMESTEP_END'
[]
[speed_avg]
type = TensorAveragePostprocessor
buffer = speed
execute_on = 'TIMESTEP_END'
[]
[reynolds]
type = ComputeReynoldsNumber
buffer = speed
tau = tau
diameter = D
[]
[]
[Problem]
type = LatticeBoltzmannProblem
scalar_constant_names = 'rho0 Ux Uy tau dx D Cs'
scalar_constant_values = '1.0 0.01 0.0 0.506 0.001 40 0.15'
substeps = 100
print_debug_output=true
binary_media = binary_media
[]
[Executioner]
type = Transient
num_steps = 10000
[]
[TensorOutputs]
[xdmf2]
type = XDMFTensorOutput
buffer = 'rho u speed binary_media'
output_mode = 'Cell Cell Cell Cell'
enable_hdf5 = true
[]
[]
(examples/cahn_hilliard/cahnhilliard4.i)
[Domain]
dim = 3
nx = 100
ny = 100
nz = 100
xmax = ${fparse pi*4}
ymax = ${fparse pi*4}
zmax = ${fparse pi*4}
device_names = 'cuda'
mesh_mode = DUMMY
debug = true
[]
[TensorBuffers]
[c]
[]
[cbar]
[]
[mu]
[]
[mubar]
[]
[Mbarmubar]
[]
# constant tensors
[Mbar]
[]
[kappabarbar]
[]
[]
[TensorOutputs]
[xdmf]
type = XDMFTensorOutput
buffer = 'c mu'
output_mode = 'Node Cell'
enable_hdf5 = true
[]
[]
[TensorComputes]
[Initialize]
[c]
type = RandomTensor
buffer = c
min = 0.44
max = 0.56
[]
[Mbar]
type = ReciprocalLaplacianFactor
factor = 0.2 # Mobility
buffer = Mbar
[]
[kappabarbar]
type = ReciprocalLaplacianSquareFactor
factor = -0.001 # kappa
buffer = kappabarbar
[]
[]
[Solve]
[mu]
type = ParsedCompute
buffer = mu
expression = '0.1*c^2*(c-1)^2 + c*sin(x/2)*0.005'
extra_symbols = true
derivatives = c
# expression = "0.4*c^3-0.6*c^2+0.2*c"
inputs = c
[]
[mubar]
type = ForwardFFT
buffer = mubar
input = mu
[]
[Mbarmubar]
type = ParsedCompute
buffer = Mbarmubar
expression = 'Mbar*mubar'
inputs = 'Mbar mubar'
[]
[cbar]
type = ForwardFFT
buffer = cbar
input = c
[]
[]
[]
[TensorTimeIntegrators]
[c]
type = FFTSemiImplicit
buffer = c
reciprocal_buffer = cbar
linear_reciprocal = kappabarbar
nonlinear_reciprocal = Mbarmubar
[]
[]
[Postprocessors]
[min_c]
type = TensorExtremeValuePostprocessor
buffer = c
value_type = MIN
execute_on = 'TIMESTEP_END'
[]
[max_c]
type = TensorExtremeValuePostprocessor
buffer = c
value_type = MAX
execute_on = 'TIMESTEP_END'
[]
[C]
type = TensorIntegralPostprocessor
buffer = c
execute_on = 'TIMESTEP_END'
[]
[cavg]
type = TensorAveragePostprocessor
buffer = c
execute_on = 'TIMESTEP_END'
[]
[]
[Problem]
type = TensorProblem
spectral_solve_substeps = 1000
[]
[Executioner]
type = Transient
num_steps = 50
[TimeStepper]
type = IterationAdaptiveDT
growth_factor = 1.8
dt = 0.1
[]
dtmax = 500
[]
[Outputs]
csv = true
perf_graph = true
execute_on = 'TIMESTEP_END'
[]
(examples/lbm/Phase-field/static_bubble_3d.i)
#
# 3D Static bubble test case
# Based on the 2D static bubble (PHYSICAL REVIEW E 97, 033309 - Section III.A)
# Small domain to verify 3D gradient/laplacian correctness
#
# Domain (small for quick testing)
Nx = 40
Ny = 40
Nz = 40
# Bubble parameters
Cx = '${Nx}/2.0'
Cy = '${Ny}/2.0'
Cz = '${Nz}/2.0'
R = 12
# Fluid properties
rho_l = 1000.0
rho_g = 1.0
nu_l = 0.1
nu_g = 0.1
sigma = 0.001
# Phase field parameters
tau_h = 0.7
D = 4
[Domain]
dim = 3
nx = '${Nx}'
ny = '${Ny}'
nz = '${Nz}'
xmax = '${Nx}'
ymax = '${Ny}'
zmax = '${Nz}'
device_names = 'cpu'
parallel_mode = REAL_SPACE
periodic_directions = 'X Y Z'
[]
[Stencil]
[d3q27]
type = LBMD3Q27
[]
[]
[TensorBuffers]
# Macroscopic phase field variables
[phi]
type = LBMTensorBuffer
buffer_type = ms
[]
[grad_phi]
type = LBMTensorBuffer
buffer_type = mv
[]
[laplacian_phi]
type = LBMTensorBuffer
buffer_type = ms
[]
[mu]
type = LBMTensorBuffer
buffer_type = ms
[]
[forces]
type = LBMTensorBuffer
buffer_type = mv
[]
# Macroscopic hydrodynamic variables
[velocity]
type = LBMTensorBuffer
buffer_type = mv
[]
[pressure]
type = LBMTensorBuffer
buffer_type = ms
[]
[rho]
type = LBMTensorBuffer
buffer_type = ms
[]
# LBM phase field variables
[h]
type = LBMTensorBuffer
buffer_type = df
[]
[h_post_collision]
type = LBMTensorBuffer
buffer_type = df
[]
[h_eq]
type = LBMTensorBuffer
buffer_type = df
[]
[relaxation_tensor]
type = LBMTensorBuffer
buffer_type = ms
[]
# LBM hydrodynamic variables
[f]
type = LBMTensorBuffer
buffer_type = df
[]
[f_post_collision]
type = LBMTensorBuffer
buffer_type = df
[]
[f_eq]
type = LBMTensorBuffer
buffer_type = df
[]
[]
[TensorComputes/Initialize]
[phi_init]
type = ParsedCompute
buffer = phi
expression = '0.5 + 0.5 * tanh(2*(R - sqrt((x - Cx)^2 + (y - Cy)^2 + (z - Cz)^2)) / D)'
constant_names = 'Cx Cy Cz R D'
constant_expressions = '${Cx} ${Cy} ${Cz} ${R} ${D}'
extra_symbols = true
[]
[grad_phi_init]
type = LBMIsotropicGradient
buffer = grad_phi
scalar_field = phi
[]
[rho_init]
type = ParsedCompute
buffer = rho
extra_symbols = true
expression = 'phi*(rho_l - rho_g) + rho_g'
constant_names = 'rho_l rho_g'
constant_expressions = '${rho_l} ${rho_g}'
inputs = phi
[]
[pressure_init]
type = LBMConstantTensor
buffer = pressure
constants = 0.3
[]
[h_eq_init]
type = LBMPhaseEquilibrium
buffer = h_eq
phi = phi
velocity = velocity
[]
[h_post_collision_init]
type = LBMPhaseEquilibrium
buffer = h_post_collision
phi = phi
velocity = velocity
[]
[h_init]
type = LBMPhaseEquilibrium
buffer = h
phi = phi
velocity = velocity
[]
[f_eq_init]
type = LBMPressureCorrectedEquilibrium
buffer = f_eq
rho = rho
velocity = velocity
pressure = pressure
[]
[f_post_collision_init]
type = ParsedCompute
buffer = f_post_collision
expression = 'f_eq'
inputs = f_eq
[]
[f_init]
type = ParsedCompute
buffer = f
expression = 'f_eq'
inputs = f_eq
[]
[]
[TensorComputes/Solve]
# Phase Field
[compute_phi]
type = LBMComputeDensity
buffer = phi
f = h
[]
[grad_phi]
type = LBMIsotropicGradient
buffer = grad_phi
scalar_field = phi
[]
[laplacian_phi]
type = LBMIsotropicLaplacian
buffer = laplacian_phi
scalar_field = phi
[]
[potential]
type = LBMComputeChemicalPotential
buffer = mu
phi = phi
laplacian_phi = laplacian_phi
thickness = D
sigma = sigma
[]
[forces]
type = LBMComputeSurfaceForces
buffer = forces
chemical_potential = mu
grad_phi = grad_phi
[]
# Hydrodynamics
[density]
type = ParsedCompute
buffer = rho
extra_symbols = true
expression = 'phi*(rho_l - rho_g) + rho_g'
constant_names = 'rho_l rho_g'
constant_expressions = '${rho_l} ${rho_g}'
inputs = phi
[]
[velocity]
type = LBMComputeVelocity
buffer = velocity
f = f
rho = rho
enable_forces = true
forces = forces
[]
[h_eq]
type = LBMPhaseEquilibrium
buffer = h_eq
phi = phi
velocity = velocity
[]
[phase_collision]
type = LBMBGKCollision
buffer = h_post_collision
f = h
feq = h_eq
tau0 = tau_h
[]
[apply_forces_phase]
type = LBMAllenCahnSource
buffer = h_post_collision
phi = phi
velocity = velocity
grad_phi = grad_phi
tau = tau_h
thickness = D
[]
[relaxation_tensor]
type = ParsedCompute
buffer = relaxation_tensor
extra_symbols = true
expression = '(phi*(nu_l - nu_g) + nu_g)/cs2+0.5'
constant_names = 'nu_l nu_g cs2'
constant_expressions = '${nu_l} ${nu_g} 0.3333'
inputs = phi
[]
[pressure]
type = LBMPhaseFieldPressure
buffer = pressure
f = f
velocity = velocity
grad_phi = grad_phi
rho = rho
rho_l = '${rho_l}'
rho_g = '${rho_g}'
[]
[f_eq]
type = LBMPressureCorrectedEquilibrium
buffer = f_eq
rho = rho
velocity = velocity
pressure = pressure
[]
[collision]
type = LBMBGKCollision
buffer = f_post_collision
f = f
feq = f_eq
tau0 = 1.0
is_dynamic_relaxation = true
tau_tensor = relaxation_tensor
[]
[apply_forces_hydro]
type = LBMForceDistribution
buffer = f_post_collision
grad_phi = grad_phi
velocity = velocity
forces = forces
tau_tensor = relaxation_tensor
tau = 1.0
rho_l = '${rho_l}'
rho_g = '${rho_g}'
is_dynamic_relaxation = true
[]
[residual]
type = LBMComputeResidual
buffer = phi
speed = phi
[]
[]
[TensorSolver]
type = LBMStream
buffer = 'h f'
f_old = 'h_post_collision f_post_collision'
root_compute = residual
[]
[Postprocessors]
[velocity_min]
type = TensorExtremeValuePostprocessor
buffer = velocity
value_type = MIN
[]
[velocity_max]
type = TensorExtremeValuePostprocessor
buffer = velocity
value_type = MAX
[]
[density_min]
type = TensorExtremeValuePostprocessor
buffer = rho
value_type = MIN
[]
[density_max]
type = TensorExtremeValuePostprocessor
buffer = rho
value_type = MAX
[]
[]
[Problem]
type = LatticeBoltzmannProblem
substeps = 10
print_debug_output = true
scalar_constant_names = 'tau_h D sigma'
scalar_constant_values = '${tau_h} ${D} ${sigma}'
[]
[Executioner]
type = Transient
num_steps = 50
[]
[TensorOutputs]
[xdmf]
type = XDMFTensorOutput
buffer = 'phi rho velocity forces'
output_mode = 'Cell Cell Cell Cell'
enable_hdf5 = true
# transpose = false
[]
[]
(test/tests/real_space/laplacian3d.i)
[Domain]
dim = 3
nx = 30
ny = 24
nz = 17
parallel_mode = REAL_SPACE
periodic_directions = 'X Y Z'
xmin = -1
ymin = -1
zmin = -1
xmax = 1
ymax = 1
zmax = 1
[]
[TensorBuffers]
[u]
type = PlainTensorBuffer
[]
[u_gold]
type = PlainTensorBuffer
[]
[lap]
type = PlainTensorBuffer
[]
[]
[TensorComputes]
[Initialize]
[u_ic]
type = ParsedCompute
buffer = u
expression = 'sin(pi*(x+0.5))*sin(pi*(y+0.5))*sin(pi*(z+0.5))'
extra_symbols = true
[]
[lap_gold_ic]
type = ParsedCompute
buffer = lap_gold
#expression = '0'
expression = '-3*pi*pi*sin(pi*(x+0.5))*sin(pi*(y+0.5))*sin(pi*(z+0.5))'
extra_symbols = true
expand = REAL
[]
[]
[Solve]
[lap_compute]
type = FiniteDifferenceLaplacian
input = u
buffer = lap
[]
[diff]
type = ParsedCompute
buffer = diff
expression = 'abs(lap - lap_gold)'
inputs = 'lap lap_gold'
[]
[]
[]
[Postprocessors]
[max_error]
type = TensorExtremeValuePostprocessor
buffer = diff
value_type = MAX
[]
[]
[TensorOutputs]
# active = ''
[lap]
type = XDMFTensorOutput
buffer = 'lap lap_gold diff'
enable_hdf5 = true
[]
[]
[Executioner]
type = Transient
num_steps = 1
[]
[Outputs]
[out]
type = CSV
[]
[]
(examples/lbm/natural_convection_3D/convection.i)
[Domain]
dim = 3
nx = 270
ny = 270
nz = 405
xmax = 270
ymax = 270
zmax = 405
device_names='cpu'
parallel_mode = REAL_SPACE
periodic_directions = 'X Y Z'
floating_precision=SINGLE
[]
[Stencil]
[d3q19]
type = LBMD3Q19
[]
[]
[TensorBuffers]
# Simulation binary media
[binary_media]
type = LBMTensorBuffer
file = binary_media.h5
buffer_type = ms
is_integer = true
[]
# Density distribution functions
[f]
type = LBMTensorBuffer
buffer_type = df
[]
[feq]
type = LBMTensorBuffer
buffer_type = df
[]
[fpc]
type = LBMTensorBuffer
buffer_type = df
[]
# Temperature distribution functions
[g]
type = LBMTensorBuffer
buffer_type = df
[]
[geq]
type = LBMTensorBuffer
buffer_type = df
[]
[gpc]
type = LBMTensorBuffer
buffer_type = df
[]
# Fluid macroscopic variables: density and velocity
[density]
type = LBMTensorBuffer
buffer_type = ms
[]
[velocity]
type = LBMTensorBuffer
buffer_type = mv
[]
[speed]
type=LBMTensorBuffer
buffer_type = ms
[]
# Temperature macroscpic variables: temperature and 'velocity'
[T]
type = LBMTensorBuffer
buffer_type = ms
[]
# Forces
[F]
type = LBMTensorBuffer
buffer_type = mv
[]
[]
[TensorComputes]
[Initialize]
[density]
type = LBMConstantTensor
buffer = density
constants = 'rho0'
[]
[velocity]
type = LBMConstantTensor
buffer = velocity
constants = '0.0 0.0 0.0'
[]
[temperature]
type = LBMConstantTensor
buffer = T
constants = T_C
[]
[equilibrium_fluid]
type = LBMEquilibrium
buffer = feq
bulk = density
velocity = velocity
[]
[equilibrium_fluid_total]
type = LBMEquilibrium
buffer = f
bulk = density
velocity = velocity
[]
[equilibrium_fluid_pc]
type = LBMEquilibrium
buffer = fpc
bulk = density
velocity = velocity
[]
[equilibrium_temperature]
type = LBMEquilibrium
buffer = geq
bulk = T
velocity = velocity
[]
[equilibrium_temperature_total]
type = LBMEquilibrium
buffer = g
bulk = T
velocity = velocity
[]
[equilibrium_temperature_pc]
type = LBMEquilibrium
buffer = gpc
bulk = T
velocity = velocity
[]
[]
#### Compute ####
[Solve]
# For temperature
[Temperature]
type = LBMComputeDensity
buffer = T
f = g
[]
# For fluid
[Fluid_density]
type = LBMComputeDensity
buffer = density
f = f
[]
[Fluid_velocity]
type = LBMComputeVelocity
buffer = velocity
f = f
rho = density
forces = F
enable_forces = true
[]
# For temperature
[Equilibrium_temperature]
type = LBMEquilibrium
buffer = geq
bulk = T
velocity = velocity
[]
[Collision_temperature]
type = LBMBGKCollision
buffer = gpc
f = g
feq = geq
tau0 = tau_T
[]
# For fluid
[Compute_forces]
type = LBMComputeForces
buffer = F
rho0 = 'rho0'
temperature = T
T0 = 1.00
enable_buoyancy = true
gravity = g
gravity_direction = 2
[]
[Equilibrium_fluid]
type = LBMEquilibrium
buffer = feq
bulk = density
velocity = velocity
[]
[Collision_fluid]
type = LBMBGKCollision
buffer = fpc
f = f
feq = feq
tau0 = tau_f
[]
[Apply_forces]
type = LBMApplyForces
buffer = fpc
velocity = velocity
rho = density
forces = F
tau0 = tau_f
[]
[Residual]
type = LBMComputeResidual
speed = T
# TODO this buffer is redundant, but avoids 'missing parameter' error
buffer = T
[]
[]
#### Boundary ####
[Boundary]
##### for fluid
[wall]
type = LBMBounceBack
buffer = f
f_old = fpc
boundary = wall
[]
##### for temperature
[heat_source]
type = LBMNeumannBC
buffer = g
f_old = gpc
feq=geq
velocity = velocity
rho = T
gradient = 0.001
region_id = 3
boundary = regional
[]
[walls]
type = LBMDirichletBC
buffer = g
f_old = gpc
feq=geq
velocity = velocity
rho = T
value = 1.0
region_id = 2
boundary = regional
[]
[]
[]
[TensorSolver]
type = LBMStream
buffer = 'f g'
f_old = 'fpc gpc'
root_compute = Residual
[]
[Problem]
type = LatticeBoltzmannProblem
binary_media = binary_media
scalar_constant_names = 'rho0 T_C T_H tau_f tau_T g'
scalar_constant_values = '1.0 1.0 1.05 0.55 0.55 0.01'
substeps = 100
print_debug_output = true
[]
[Executioner]
type = Transient
num_steps = 1000
[]
[TensorOutputs]
[xdmf2]
type = XDMFTensorOutput
buffer = 'T density velocity'
output_mode = 'Cell Cell Cell'
enable_hdf5 = true
[]
[]
(test/tests/typed_tensors/gradient_vector.i)
[Domain]
dim = 3
nx = 20
ny = 10
nz = 5
mesh_mode = DUMMY
device_names = cpu
[]
[TensorComputes]
[Initialize]
[c]
type = ParsedCompute
buffer = c
extra_symbols = true
expression = 'sin(x*8*pi)+cos(y*4*pi)+sin(z*2*pi)'
[]
[grad_c]
type = GradientVector
buffer = grad_c
input = c
[]
[]
[]
[Problem]
type = TensorProblem
print_debug_output = true
[]
[Executioner]
type = Transient
num_steps = 1
[]
[TensorOutputs]
[xdmf]
type = XDMFTensorOutput
buffer = 'c grad_c'
file_base = gradient
output_mode = 'NODE NODE'
enable_hdf5 = true
[]
[]
(examples/lbm/rarefied_gas/channel.i)
[Domain]
dim = 2
nx = 102
ny = 102
xmax = 102
ymax = 102
parallel_mode = REAL_SPACE
periodic_directions = 'X Y'
[]
[Stencil]
[d2q9]
type = LBMD2Q9
[]
[]
[TensorBuffers]
[f]
type = LBMTensorBuffer
buffer_type = df
[]
[feq]
type = LBMTensorBuffer
buffer_type = df
[]
[fpc]
type = LBMTensorBuffer
buffer_type = df
[]
[velocity]
type=LBMTensorBuffer
buffer_type = mv
[]
[density]
type=LBMTensorBuffer
buffer_type = ms
[]
[speed]
type=LBMTensorBuffer
buffer_type = ms
[]
[domain]
type=LBMTensorBuffer
file = binary_media.h5
buffer_type = ms
is_integer = true
[]
[local_pore]
type=LBMTensorBuffer
file = local_pore_size.h5
buffer_type = ms
is_integer = false
[]
[Kn]
type=LBMTensorBuffer
file = Kn.h5
buffer_type = ms
is_integer = false
[]
[relaxation_matrix]
type = LBMTensorBuffer
buffer_type = df
[]
[]
[TensorComputes]
[Initialize]
[initial_density]
type = LBMConstantTensor
buffer = density
constants = 0.2355545440759889
[]
[initial_velocity]
type = LBMConstantTensor
buffer = velocity
constants = '0.0 0.0'
[]
[initial_equilibrium]
type = LBMEquilibrium
buffer = feq
bulk = density
velocity = velocity
[]
[initial_distribution]
type = LBMEquilibrium
buffer = f
bulk = density
velocity = velocity
[]
[initial_distribution_pc]
type = LBMEquilibrium
buffer = fpc
bulk = density
velocity = velocity
[]
[relaxation_matrix_init]
type = LBMComputeEffectiveRelaxation
buffer = relaxation_matrix
local_pore_size = local_pore
local_Knudsen_number = Kn
mfp = 7.904614716131531e-10
dx = 0.122e-9
A2 = 0.82
[]
[]
[Solve]
[density]
type = LBMComputeDensity
buffer = density
f = f
[]
[velocity]
type = LBMComputeVelocity
buffer = velocity
f = f
rho = density
add_body_force = true
body_force_x = 1.0e-8
[]
[equilibrium]
type=LBMEquilibrium
buffer = feq
bulk = density
velocity = velocity
[]
[collision]
type = LBMMRTCollision
buffer = fpc
f = f
feq = feq
is_dynamic_relaxation = true
local_relaxation_matrix = relaxation_matrix
projection = true
[]
[speed]
type = LBMComputeVelocityMagnitude
buffer = speed
velocity = velocity
[]
[residual]
type = LBMComputeResidual
buffer = speed
speed = speed
[]
[]
[Boundary]
[wall]
type = LBMSpecularReflectionBoundary
buffer = f
f_old = fpc
local_Knudsen_number = Kn
boundary = wall
[]
[]
[]
[TensorSolver]
type = LBMStream
buffer = f
f_old = fpc
root_compute = residual
[]
[Postprocessors]
[max_u]
type = TensorExtremeValuePostprocessor
buffer = speed
value_type = MAX
execute_on = 'INITIAL TIMESTEP_END'
[]
[]
[Problem]
type = LatticeBoltzmannProblem
substeps = 2000
print_debug_output = true
binary_media = domain
[]
[Executioner]
type = Transient
num_steps = 2
[]
[TensorOutputs]
[xdmf2]
type = XDMFTensorOutput
buffer = 'density velocity speed'
output_mode = 'Cell Cell Cell'
enable_hdf5 = true
transpose=false
[]
[]
(test/tests/tensor_compute/coupled_pf_mech.i)
[Domain]
dim = 3
nx = 128
ny = 128
nz = 128
xmax = ${fparse pi*4}
ymax = ${fparse pi*4}
zmax = ${fparse pi*4}
mesh_mode = DUMMY
[]
[TensorBuffers]
# phase field
[c]
[]
[cbar]
[]
[mu]
[]
[mubar]
[]
[Mbarmubar]
[]
# mechanics
[disp_x]
[]
[disp_y]
[]
[disp_z]
[]
[mumechbar]
[]
[mumech]
[]
# constant tensors
[Mbar]
[]
[kappabarbar]
[]
[]
[TensorOutputs]
[xdmf]
type = XDMFTensorOutput
buffer = 'c disp_x disp_y disp_z mu mumech'
output_mode = 'Node Node Node Node Cell Cell'
enable_hdf5 = true
[]
[]
[TensorComputes]
[Initialize]
[c]
type = RandomTensor
buffer = c
min = 0.44
max = 0.56
[]
[disp_x]
type = RandomTensor
buffer = disp_x
min = 0
max = 0
[]
[disp_y]
type = RandomTensor
buffer = disp_y
min = 0
max = 0
[]
[disp_z]
type = RandomTensor
buffer = disp_z
min = 0
max = 0
[]
[Mbar]
type = ReciprocalLaplacianFactor
factor = 0.2 # Mobility
buffer = Mbar
[]
[kappabarbar]
type = ReciprocalLaplacianSquareFactor
factor = -0.001 # kappa
buffer = kappabarbar
[]
[]
[Solve]
[mu]
# chemical potential (real space)
type = ParsedCompute
buffer = mu
expression = '0.1*c^2*(c-1)^2' # + c*sin(x/2)*0.005'
extra_symbols = true
derivatives = c
inputs = c
[]
[mubar]
# chemical potential (reciprocal space)
type = ForwardFFT
buffer = mubar
input = mu
[]
[mumechbar]
# mechanical chemical potential (reciprocal space)
type = FFTElasticChemicalPotential
buffer = mumechbar
cbar = cbar
displacements = 'disp_x disp_y disp_z'
lambda = 100
mu = 50
e0 = 0.02
[]
[mumech]
# chemical potential (reciprocal space)
type = InverseFFT
buffer = mumech
input = mumechbar
[]
[Mbarmubar]
type = ParsedCompute
buffer = Mbarmubar
expression = 'Mbar*(mubar+mumechbar)'
inputs = 'Mbar mubar mumechbar'
[]
[cbar]
type = ForwardFFT
buffer = cbar
input = c
[]
[qsmech]
type = FFTQuasistaticElasticity
displacements = 'disp_x disp_y disp_z'
cbar = cbar
lambda = 100
mu = 50
e0 = 0.02
[]
[]
[]
[TensorTimeIntegrators]
[c]
type = FFTSemiImplicit
buffer = c
reciprocal_buffer = cbar
linear_reciprocal = kappabarbar
nonlinear_reciprocal = Mbarmubar
[]
[]
[Postprocessors]
[min_c]
type = TensorExtremeValuePostprocessor
buffer = c
value_type = MIN
execute_on = 'TIMESTEP_END'
[]
[max_c]
type = TensorExtremeValuePostprocessor
buffer = c
value_type = MAX
execute_on = 'TIMESTEP_END'
[]
[min_disp_x]
type = TensorExtremeValuePostprocessor
buffer = disp_x
value_type = MIN
execute_on = 'TIMESTEP_END'
[]
[max_disp_x]
type = TensorExtremeValuePostprocessor
buffer = disp_x
value_type = MAX
execute_on = 'TIMESTEP_END'
[]
[min_disp_y]
type = TensorExtremeValuePostprocessor
buffer = disp_y
value_type = MIN
execute_on = 'TIMESTEP_END'
[]
[max_disp_y]
type = TensorExtremeValuePostprocessor
buffer = disp_y
value_type = MAX
execute_on = 'TIMESTEP_END'
[]
[min_disp_z]
type = TensorExtremeValuePostprocessor
buffer = disp_z
value_type = MIN
execute_on = 'TIMESTEP_END'
[]
[max_disp_z]
type = TensorExtremeValuePostprocessor
buffer = disp_z
value_type = MAX
execute_on = 'TIMESTEP_END'
[]
[C]
type = TensorIntegralPostprocessor
buffer = c
execute_on = 'TIMESTEP_END'
[]
[cavg]
type = TensorAveragePostprocessor
buffer = c
execute_on = 'TIMESTEP_END'
[]
[]
[Problem]
type = TensorProblem
spectral_solve_substeps = 1000
print_debug_output = true
[]
[Executioner]
type = Transient
num_steps = 100
[TimeStepper]
type = IterationAdaptiveDT
growth_factor = 1.8
dt = 0.1
[]
dtmax = 1000
[]
[Outputs]
csv = true
perf_graph = true
execute_on = 'TIMESTEP_END'
[]
(examples/cahn_hilliard/cahnhilliard3.i)
[Domain]
dim = 3
nx = 100
ny = 100
nz = 100
xmax = ${fparse pi*4}
ymax = ${fparse pi*4}
zmax = ${fparse pi*4}
device_names = 'cuda'
mesh_mode = DUMMY
[]
[TensorBuffers]
[c]
[]
[cbar]
[]
[mu]
[]
[mubar]
[]
[Mbarmubar]
[]
# constant tensors
[Mbar]
[]
[kappabarbar]
[]
[]
[TensorOutputs]
[xdmf]
type = XDMFTensorOutput
buffer = 'c mu'
output_mode = 'Node Cell'
enable_hdf5 = true
[]
[]
[TensorComputes]
[Initialize]
[c]
type = RandomTensor
buffer = c
min = 0.44
max = 0.56
[]
[Mbar]
type = ReciprocalLaplacianFactor
factor = 0.2 # Mobility
buffer = Mbar
[]
[kappabarbar]
type = ReciprocalLaplacianSquareFactor
factor = -0.001 # kappa
buffer = kappabarbar
[]
[]
[Solve]
[mu]
type = ParsedCompute
buffer = mu
expression = '0.1*c^2*(c-1)^2'
derivatives = c
# expression = "0.4*c^3-0.6*c^2+0.2*c"
inputs = c
[]
[mubar]
type = ForwardFFT
buffer = mubar
input = mu
[]
[Mbarmubar]
type = ParsedCompute
buffer = Mbarmubar
expression = 'Mbar*mubar'
inputs = 'Mbar mubar'
[]
[cbar]
type = ForwardFFT
buffer = cbar
input = c
[]
[]
[]
[TensorTimeIntegrators]
[c]
type = FFTSemiImplicit
buffer = c
reciprocal_buffer = cbar
linear_reciprocal = kappabarbar
nonlinear_reciprocal = Mbarmubar
[]
[]
[Postprocessors]
[min_c]
type = TensorExtremeValuePostprocessor
buffer = c
value_type = MIN
execute_on = 'TIMESTEP_END'
[]
[max_c]
type = TensorExtremeValuePostprocessor
buffer = c
value_type = MAX
execute_on = 'TIMESTEP_END'
[]
[C]
type = TensorIntegralPostprocessor
buffer = c
execute_on = 'TIMESTEP_END'
[]
[cavg]
type = TensorAveragePostprocessor
buffer = c
execute_on = 'TIMESTEP_END'
[]
[]
[Problem]
type = TensorProblem
spectral_solve_substeps = 1000
[]
[Executioner]
type = Transient
num_steps = 20
[TimeStepper]
type = IterationAdaptiveDT
growth_factor = 1.8
dt = 0.1
[]
dtmax = 1000
[]
[Outputs]
csv = true
perf_graph = true
execute_on = 'TIMESTEP_END'
[]
(test/tests/mechanics/mech.i)
[Domain]
dim = 2
nx = 32
ny = 32
xmax = ${fparse 2*pi}
ymax = ${fparse 2*pi}
zmax = ${fparse 2*pi}
mesh_mode = DUMMY
parallel_mode = FFT_AUTO
[]
[TensorComputes]
[Initialize]
[phase]
type = ParsedCompute
expression = '(cos(x)/2+0.5)^1*(cos(y)/2+0.5)^1*(cos(z)/2+0.5)^1'
extra_symbols = true
buffer = phase
[]
[K]
type = ParsedCompute
buffer = K
expression = '(1-phase)*Ka + phase*Kb'
inputs = phase
constant_names = 'Ka Kb'
constant_expressions = '1 10'
[]
[mu]
type = ParsedCompute
buffer = mu
expression = '(1-phase)*mua + phase*mub'
inputs = phase
constant_names = 'mua mub'
constant_expressions = '0.5 5'
[]
[Finit]
type = RankTwoIdentity
buffer = F
[]
[]
[Solve]
[hyper_elasticity]
type = HyperElasticIsotropic
buffer = stress
F = Fnew
K = K
mu = mu
[]
[root]
[applied_strain]
type = MacroscopicShearTensor
buffer = applied_strain
[]
[mech]
type = FFTMechanics
buffer = Fnew
F = F
K = K
mu = mu
l_max_its = 40
l_tol = 1e-5
nl_rel_tol = 2e-4
nl_abs_tol = 2e-3
constitutive_model = hyper_elasticity
stress = stress
applied_macroscopic_strain = applied_strain
[]
[]
[]
[Postprocess]
[displacements]
type = ComputeDisplacements
buffer = disp
F = F
[]
[vonmises]
type = ComputeVonMisesStress
buffer = sV
[]
[]
[]
[TensorSolver]
# no variables are integrated by this solver (FFTMechanics performs a steady state mechanics solve)
type = ForwardEulerSolver
root_compute = root
# deformation tensor is just forwarded Fnew -> F
forward_buffer = F
forward_buffer_new = Fnew
substeps = 3
[]
[TensorOutputs]
active = 'parallel' # serial
[serial]
type = XDMFTensorOutput
file_base = mech_serial
buffer = 'disp sV F phase'
output_mode = 'OVERSIZED_NODAL CELL CELL NODE'
enable_hdf5 = true
execute_on = 'TIMESTEP_END'
[]
[parallel]
# NODE and OVERSIZED_NODAL are not yet available in parallel output
type = XDMFTensorOutput
file_base = mech_parallel
buffer = 'sV F phase'
output_mode = 'CELL CELL CELL'
enable_hdf5 = true
execute_on = 'TIMESTEP_END'
[]
[]
[Executioner]
type = Transient
num_steps = 3
dt = 0.02
[]
(examples/phase_field_crystal/pfc_fcc_atomic_structure.i)
# FCC PFC test designed to clearly show atomic-scale density fluctuations
# Using larger epsilon for stronger density modulations
# Based on PhysRevE.81.061601 two-mode FCC PFC model
# Grid parameters - fine resolution to resolve atomic peaks
N = 4 # Grid points per dimension
# PFC model parameters - LARGER epsilon for clearer atomic structure
psi_mean = -0.2 # Mean density
epsilon = 0.15 # Larger undercooling for stronger modulations
R1_param = 0.0 # Two-mode coupling (0 for max FCC stability)
Q1_param = ${fparse sqrt(4.0/3.0)} # FCC wave number ratio
# Domain size: want several unit cells but fine enough resolution
# The (111) wavelength is 2*pi/q0 = 2*pi*sqrt(3/4) ≈ 5.44 (dimensionless)
# Let's fit about 'N' wavelengths in each direction
Lx = ${fparse N * 2 * pi / ${Q1_param}}
Ly = ${Lx}
[Domain]
dim = 2
nx = ${fparse ${N} * 8 }
ny = ${fparse ${N} * 8 }
xmax = ${Lx}
ymax = ${Ly}
[]
[TensorComputes]
[Initialize]
# Random perturbations to seed crystal growth
[psi]
type = RandomTensor
buffer = psi
max = ${fparse ${psi_mean} + 0.01}
min = ${fparse ${psi_mean} - 0.01}
seed = 12345
[]
# Linear operator for FCC
[linear]
type = FCCPFCLinear
buffer = 'linear'
eps = ${epsilon}
R1 = ${R1_param}
Q1 = ${Q1_param}
mobility = 1.0
[]
# Dealiasing for cubic nonlinearity
[smooth_operator]
type = DeAliasingTensor
buffer = smooth_operator
method = HOULI
[]
[]
[Solve]
# Nonlinear term
[nl_div_psi_cubed]
type = FCCPFCNonlinear
buffer = NL
psi = psi
dealiasing = smooth_operator
mobility = 1.0
[]
# FFT for spectral solver
[psi_hat]
type = ForwardFFT
buffer = psi_hat
input = psi
[]
[]
[]
[TensorSolver]
type = AdamsBashforthMoulton
buffer = 'psi'
linear_reciprocal = 'linear'
nonlinear_reciprocal = 'NL'
reciprocal_buffer = 'psi_hat'
corrector_order = 1
corrector_steps = 3
predictor_order = 1
substeps = 10000
[]
[Postprocessors]
[max_psi]
type = TensorExtremeValuePostprocessor
buffer = psi
value_type = MAX
execute_on = 'initial timestep_end'
[]
[min_psi]
type = TensorExtremeValuePostprocessor
buffer = psi
value_type = MIN
execute_on = 'initial timestep_end'
[]
[mean_psi]
type = TensorAveragePostprocessor
buffer = psi
execute_on = 'initial timestep_end'
[]
[]
[TensorOutputs]
[xdmf]
type = XDMFTensorOutput
buffer = 'psi'
enable_hdf5 = true
[]
[]
[Executioner]
type = Transient
num_steps = 1000
dt = 20 # Larger timestep for faster evolution
[]
[Outputs]
perf_graph = true
csv = true
[]
(benchmarks/02_oswald_ripening/2a.i)
[Domain]
dim = 2
nx = 200
ny = 200
xmax = 200
ymax = 200
mesh_mode = DOMAIN
[]
fchem = 'fa:=rho^2*(c-ca)^2;
fb:=rho^2*(cb-c)^2;
h:=n1^3*(6*n1^2-15*n1+10) +
n2^3*(6*n2^2-15*n2+10) +
n3^3*(6*n3^2-15*n3+10) +
n4^3*(6*n4^2-15*n4+10);
g:=n1^2*(1-n1)^2 +
n2^2*(1-n2)^2 +
n3^2*(1-n3)^2 +
n4^2*(1-n4)^2 +
alpha*(
n1^2*n2^2 + n1^2*n3^2 + n1^2*n4^2 +
n2^2*n1^2 + n2^2*n3^2 + n2^2*n4^2 +
n3^2*n1^2 + n3^2*n2^2 + n3^2*n4^2 +
n4^2*n1^2 + n4^2*n2^2 + n4^2*n3^2);
(fa*(1-h) + fb*h + w*g)'
nic = 'epsilon*(cos((0.01*idx)*x-4)*cos((0.007+0.01*idx)*y)
+cos((0.11+0.01*idx)*x)*cos((0.11+0.01*idx)*y)
+psi*(cos((0.046+0.001*idx)*x+(0.0405+0.001*idx)*y)
*cos((0.031+0.001*idx)*x-(0.004+0.001*idx)*y))^2)^2'
cnames = 'rho ca cb alpha w L M'
cvalues = 'sqrt(2) 0.3 0.7 5 1 5 5'
[TensorBuffers]
# variables
[c]
# map_to_aux_variable = c
[]
[n1]
[]
[n2]
[]
[n3]
[]
[n4]
[]
[c_bar]
[]
[n1_bar]
[]
[n2_bar]
[]
[n3_bar]
[]
[n4_bar]
[]
[mu_c]
# map_to_aux_variable = mu
[]
[mu_n1]
[]
[mu_n2]
[]
[mu_n3]
[]
[mu_n4]
[]
[mu_c_bar]
[]
[mu_n1_bar]
[]
[mu_n2_bar]
[]
[mu_n3_bar]
[]
[mu_n4_bar]
[]
[Mbar_mu_c_bar]
[]
# constant tensors
[Lbar] # FFT(M*laplacian)
[]
[MkappaL2bar] # FFT(-M*kappa*laplacian^2)
[]
[kappaLbar] # FFT(L*kappa*laplacian)
[]
# postprocessing
[F]
[]
[Fgrad_c]
[]
[Fgrad_n1]
[]
[Fgrad_n2]
[]
[Fgrad_n3]
[]
[Fgrad_n4]
[]
[bnds]
#map_to_aux_variable = bnds
[]
[]
[TensorComputes]
[Initialize]
[c]
type = ParsedCompute
buffer = c
extra_symbols = true
expression = 'c0+epsilon*(cos(0.105*x)*cos(0.11*y)+(cos(0.13*x)*cos(0.087*y))^2+cos(0.025*x-0.15*y)*cos(0.07*x-0.02*y))'
constant_names = 'c0 epsilon'
constant_expressions = '0.5 0.01'
[]
[Lbar]
type = ReciprocalLaplacianFactor
# Mobility is pulled into the chemical potential below
buffer = Lbar
[]
[MkappaL2bar]
type = ReciprocalLaplacianSquareFactor
factor = -15 # -kappa_c*M
buffer = MkappaL2bar
[]
[kappaLbar]
type = ReciprocalLaplacianFactor
buffer = kappaLbar
factor = 15 # kappa_ni*L
[]
[n1]
type = ParsedCompute
buffer = n1
expression = ${nic}
extra_symbols = true
constant_names = 'idx epsilon psi'
constant_expressions = ' 1 0.1 1.5'
[]
[n2]
type = ParsedCompute
buffer = n2
expression = ${nic}
extra_symbols = true
constant_names = 'idx epsilon psi'
constant_expressions = ' 2 0.1 1.5'
[]
[n3]
type = ParsedCompute
buffer = n3
expression = ${nic}
extra_symbols = true
constant_names = 'idx epsilon psi'
constant_expressions = ' 3 0.1 1.5'
[]
[n4]
type = ParsedCompute
buffer = n4
expression = ${nic}
extra_symbols = true
constant_names = 'idx epsilon psi'
constant_expressions = ' 4 0.1 1.5'
[]
[]
[Solve]
[mu_c]
type = ParsedCompute
buffer = mu_c
expression = '${fchem}*M'
constant_names = ${cnames}
constant_expressions = ${cvalues}
derivatives = c
inputs = 'c n1 n2 n3 n4'
[]
[mu_n1]
type = ParsedCompute
buffer = mu_n1
expression = '${fchem}*(-L)'
constant_names = ${cnames}
constant_expressions = ${cvalues}
derivatives = n1
inputs = 'c n1 n2 n3 n4'
[]
[mu_n2]
type = ParsedCompute
buffer = mu_n2
expression = '${fchem}*(-L)'
constant_names = ${cnames}
constant_expressions = ${cvalues}
derivatives = n2
inputs = 'c n1 n2 n3 n4'
[]
[mu_n3]
type = ParsedCompute
buffer = mu_n3
expression = '${fchem}*(-L)'
constant_names = ${cnames}
constant_expressions = ${cvalues}
derivatives = n3
inputs = 'c n1 n2 n3 n4'
[]
[mu_n4]
type = ParsedCompute
buffer = mu_n4
expression = '${fchem}*(-L)'
constant_names = ${cnames}
constant_expressions = ${cvalues}
derivatives = n4
inputs = 'c n1 n2 n3 n4'
[]
[mu_c_bar]
type = ForwardFFT
buffer = mu_c_bar
input = mu_c
[]
[mu_n1_bar]
type = ForwardFFT
buffer = mu_n1_bar
input = mu_n1
[]
[mu_n2_bar]
type = ForwardFFT
buffer = mu_n2_bar
input = mu_n2
[]
[mu_n3_bar]
type = ForwardFFT
buffer = mu_n3_bar
input = mu_n3
[]
[mu_n4_bar]
type = ForwardFFT
buffer = mu_n4_bar
input = mu_n4
[]
[Mbar_mu_c_bar]
type = ParsedCompute
buffer = Mbar_mu_c_bar
expression = 'Lbar*mu_c_bar'
inputs = 'Lbar mu_c_bar'
[]
[c_bar]
type = ForwardFFT
buffer = c_bar
input = c
[]
[n1_bar]
type = ForwardFFT
buffer = n1_bar
input = n1
[]
[n2_bar]
type = ForwardFFT
buffer = n2_bar
input = n2
[]
[n3_bar]
type = ForwardFFT
buffer = n3_bar
input = n3
[]
[n4_bar]
type = ForwardFFT
buffer = n4_bar
input = n4
[]
[]
[Postprocess]
[Fgrad_c]
type = FFTGradientSquare
buffer = Fgrad_c
input = c
factor = 1.5 # kappa/2
[]
[Fgrad_n1]
type = FFTGradientSquare
buffer = Fgrad_n1
input = n1
factor = 1.5 # kappa/2
[]
[Fgrad_n2]
type = FFTGradientSquare
buffer = Fgrad_n2
input = n2
factor = 1.5 # kappa/2
[]
[Fgrad_n3]
type = FFTGradientSquare
buffer = Fgrad_n3
input = n3
factor = 1.5 # kappa/2
[]
[Fgrad_n4]
type = FFTGradientSquare
buffer = Fgrad_n4
input = n4
factor = 1.5 # kappa/2
[]
[F]
type = ParsedCompute
buffer = F
expression = '${fchem} + Fgrad_c + Fgrad_n1 + Fgrad_n2 + Fgrad_n3 + Fgrad_n4'
constant_names = ${cnames}
constant_expressions = ${cvalues}
inputs = 'c n1 n2 n3 n4 Fgrad_c Fgrad_n1 Fgrad_n2 Fgrad_n3 Fgrad_n4'
[]
[bnds]
type = ParsedCompute
buffer = bnds
expression = 'n1^2 + n2^2 + n3^2 + n4^2'
inputs = 'n1 n2 n3 n4'
[]
[]
[]
[TensorSolver]
type = AdamsBashforthMoulton
buffer = 'c n1 n2 n3 n4'
reciprocal_buffer = 'c_bar n1_bar n2_bar n3_bar n4_bar'
linear_reciprocal = 'MkappaL2bar kappaLbar kappaLbar kappaLbar kappaLbar'
nonlinear_reciprocal = 'Mbar_mu_c_bar mu_n1_bar mu_n2_bar mu_n3_bar mu_n4_bar'
substeps = 2000
predictor_order = 2
corrector_order = 2
corrector_steps = 0
[]
[AuxVariables]
[c]
[]
[bnds]
[]
[]
[Postprocessors]
[min_c]
type = TensorExtremeValuePostprocessor
buffer = c
value_type = MIN
execute_on = 'TIMESTEP_END'
[]
[max_c]
type = TensorExtremeValuePostprocessor
buffer = c
value_type = MAX
execute_on = 'TIMESTEP_END'
[]
[F]
type = TensorIntegralPostprocessor
buffer = F
[]
# [stable_dt]
# type = SemiImplicitCriticalTimeStep
# buffer = MkappaL2bar
# []
[]
[Problem]
type = TensorProblem
[]
[Executioner]
type = Transient
num_steps = 1030
[TimeStepper]
type = IterationAdaptiveDT
growth_factor = 1.1
dt = 0.001
[]
dtmax = 10
[]
[Outputs]
csv = true
perf_graph = true
execute_on = 'TIMESTEP_END'
[]
[TensorOutputs]
[xdmf]
type = XDMFTensorOutput
buffer = 'c bnds'
output_mode = 'CELL CELL'
[]
[]
(test/tests/typed_tensors/gradient.i)
[Domain]
dim = 3
nx = 20
ny = 10
nz = 5
mesh_mode = DUMMY
device_names = cpu
[]
[TensorComputes]
[Initialize]
[c]
type = ParsedCompute
buffer = c
extra_symbols = true
expression = 'sin(x*8*pi)+cos(y*4*pi)+sin(z*2*pi)'
[]
[grad_c]
type = NEML2GradientVector
buffer = grad_c
input = c
[]
[]
[]
[Problem]
type = TensorProblem
print_debug_output = true
[]
[Executioner]
type = Transient
num_steps = 1
[]
[TensorOutputs]
[xdmf]
type = XDMFTensorOutput
buffer = 'c grad_c'
file_base = gradient
output_mode = 'NODE NODE'
enable_hdf5 = true
[]
[]
(test/tests/real_space/diffusion.i)
[Domain]
dim = 2
nx = 80
ny = 60
parallel_mode = REAL_SPACE
periodic_directions = 'X Y'
xmin = -1
ymin = -1
xmax = 1
ymax = 1
[]
[TensorComputes]
[Initialize]
[u_ic]
type = ParsedCompute
buffer = u
expression = 'exp((-x^2-y^2)*100)'
extra_symbols = true
[]
[]
[Solve]
[dt]
type = FiniteDifferenceLaplacian
input = u
buffer = dudt
[]
[]
[]
[TensorSolver]
type = RealSpaceForwardEuler
buffer = u
time_derivative = dudt
substeps = 100
[]
[Postprocessors]
[max_u]
type = TensorExtremeValuePostprocessor
buffer = u
value_type = MAX
execute_on = 'INITIAL TIMESTEP_END'
[]
[U]
type = TensorIntegralPostprocessor
buffer = u
execute_on = 'INITIAL TIMESTEP_END'
[]
[]
[TensorOutputs]
# active = ''
[u]
type = XDMFTensorOutput
buffer = 'u dudt'
enable_hdf5 = true
[]
[]
[Executioner]
type = Transient
dt = 1e-2
num_steps = 100
[]
[Outputs]
[out]
type = CSV
[]
[]
(test/tests/kks/KKS_no_flux_bc.i)
#
# Kim-Kim-Suzuki with no-flux BC imposed using the smooth boundary method (SBM), solved on a 2D grid.
# Mask tensor 'psi' supplies the mask for the solve region to the system.
# Note: c is not directly conserved here - the masked value (psi > 0.0)*c will however be conserved.
#
# Constants for Initial Conditions
r = 30
l = 4.2
# Initial condition function for order parameter
eta_IC = '0.5*(1-tanh(2*(sqrt(x^2+y^2)-${r})/${l}))'
# Phase-field model parameters
kappa_eta = 5
rho_sq = 2
w = 1
M = 5
L = 5
c0_a = 0.3
c0_b = 0.7
# Expressions for switching function and bulk Gibbs energy
h_eta = 'eta^3*(6*eta^2-15*eta+10)'
F = '${h_eta}*(${rho_sq}*((c - (1-${h_eta})*(${c0_b} - ${c0_a}))-${c0_a})^2) + (1-${h_eta})*(${rho_sq}*((c + (${h_eta})*(${c0_b} - ${c0_a}))-${c0_b})^2 ) + ${w}*(eta^2)*(1-eta)^2'
[Domain]
dim = 2
nx = 20
ny = 20
xmin = -50
xmax = 50
ymin = -50
ymax = 50
# run on a CUDA device (adjust this to `cpu` if not available)
device_names = 'cpu'
# automatically create a matching mesh
mesh_mode = DUMMY
[]
[Functions]
[psi_func]
type = ParsedFunction
expression = 'if(x<x_min-${l},0,if(x>x_min+${l},1,0.5-0.5*cos(pi*(x-(x_min-${l}))/2/${l}) )) * if(x<x_max-${l},1,if(x>x_max+${l},0,0.5+0.5*cos(pi*(x-(x_max-${l}))/2/${l}) ))'
symbol_names = 'x_min x_max y_min y_max'
symbol_values = '30 70 0 100'
[]
[]
[TensorComputes]
[Initialize]
[c_IC]
type = ParsedCompute
buffer = c
expression = '0.6 + (${c0_a}-0.6)*${eta_IC}'
extra_symbols = 'true'
[]
[eta_IC]
type = ParsedCompute
buffer = eta
expression = '${eta_IC}'
extra_symbols = 'true'
[]
[psi_init]
type = MooseFunctionTensor
function = psi_func
buffer = psi
[]
[zero]
type = ConstantReciprocalTensor
buffer = zero
[]
[M]
type = ConstantTensor
buffer = M
real = ${M}
[]
[L]
type = ConstantTensor
buffer = L
real = ${L}
[]
[L_kappa]
type = ConstantTensor
buffer = L_kappa
real = ${fparse ${L} * ${kappa_eta} }
[]
[]
[Solve]
[cbar]
type = ForwardFFT
buffer = cbar
input = c
[]
[etabar]
type = ForwardFFT
buffer = etabar
input = eta
[]
[mu]
type = ParsedCompute
buffer = 'mu'
expression = '${F}'
inputs = 'c eta'
derivatives = 'c'
[]
[div_J]
type = ReciprocalMatDiffusion
buffer = 'div_J'
chemical_potential = mu
mobility = M
psi = psi
[]
[domega_chem_deta]
type = ParsedCompute
buffer = 'domega_chem_deta'
expression = '${F} - mu*c'
inputs = 'mu c eta'
derivatives = 'eta'
[]
[AC_bulk]
type = ReciprocalAllenCahn
buffer = AC_bulk
dF_chem_deta = domega_chem_deta
L = L
psi = psi
[]
[kappa_grad_eta]
type = ReciprocalMatDiffusion
buffer = 'kappa_grad_eta'
chemical_potential = 'eta'
mobility = 'L_kappa'
psi = psi
[]
[AC_bar]
type = ParsedCompute
buffer = AC_bar
expression = 'kappa_grad_eta + AC_bulk'
inputs = 'AC_bulk kappa_grad_eta'
[]
[]
[]
[TensorSolver]
type = AdamsBashforthMoulton
buffer = 'c eta'
reciprocal_buffer = 'cbar etabar'
linear_reciprocal = 'zero zero'
nonlinear_reciprocal = 'div_J AC_bar'
substeps = 1e3
predictor_order = 3
[]
[Postprocessors]
[total_C]
type = TensorIntegralPostprocessor
buffer = c
execute_on = 'INITIAL TIMESTEP_END'
[]
[total_eta]
type = TensorIntegralPostprocessor
buffer = eta
execute_on = 'INITIAL TIMESTEP_END'
[]
[]
[TensorOutputs]
[xdmf]
type = XDMFTensorOutput
buffer = 'eta c mu psi'
enable_hdf5 = true
transpose = false
[]
[]
[Executioner]
type = Transient
dt = 0.1
num_steps = 10
[]
[Outputs]
csv = true
perf_graph = true
execute_on = 'INITIAL TIMESTEP_END'
[]
(test/tests/tensor_compute/smooth_rectangle.i)
[Domain]
dim = 2
nx = 100
ny = 100
xmax = 20
ymax = 20
mesh_mode = DUMMY
device_names = cpu
[]
[TensorComputes]
[Initialize]
[rectangle_sharp]
type = SmoothRectangleCompute
buffer = rectangle_sharp
x1 = 5
x2 = 15
y1 = 5
y2 = 15
inside = -1
outside = 3
[]
[rectangle_cos]
type = SmoothRectangleCompute
buffer = rectangle_cos
x1 = 5
x2 = 15
y1 = 5
y2 = 15
inside = -1
outside = 3
profile = COS
int_width = 1
[]
[rectangle_tanh]
type = SmoothRectangleCompute
buffer = rectangle_tanh
x1 = 5
x2 = 15
y1 = 5
y2 = 15
inside = -1
outside = 3
profile = TANH
int_width = 1
[]
[]
[]
[Problem]
type = TensorProblem
[]
[TensorOutputs]
[xdmf]
type = XDMFTensorOutput
buffer = 'rectangle_sharp rectangle_cos rectangle_tanh'
enable_hdf5 = true
[]
[]
[Executioner]
type = Transient
num_steps = 0
[]
[Outputs]
perf_graph = true
[]
(test/tests/mechanics/mech3d.i)
[Domain]
dim = 3
nx = 16
ny = 16
nz = 16
xmax = ${fparse 2*pi}
ymax = ${fparse 2*pi}
zmax = ${fparse 2*pi}
mesh_mode = DUMMY
parallel_mode = FFT_AUTO
[]
[TensorComputes]
[Initialize]
[phase]
type = ParsedCompute
expression = '(cos(x)/2+0.5)^1*(cos(y)/2+0.5)^1*(cos(z)/2+0.5)^1'
extra_symbols = true
buffer = phase
[]
[K]
type = ParsedCompute
buffer = K
expression = '(1-phase)*Ka + phase*Kb'
inputs = phase
constant_names = 'Ka Kb'
constant_expressions = '1 10'
[]
[mu]
type = ParsedCompute
buffer = mu
expression = '(1-phase)*mua + phase*mub'
inputs = phase
constant_names = 'mua mub'
constant_expressions = '0.5 5'
[]
[Finit]
type = RankTwoIdentity
buffer = F
[]
[]
[Solve]
[hyper_elasticity]
type = HyperElasticIsotropic
buffer = stress
F = Fnew
K = K
mu = mu
[]
[root]
[applied_strain]
type = MacroscopicShearTensor
buffer = applied_strain
[]
[mech]
type = FFTMechanics
buffer = Fnew
F = F
K = K
mu = mu
l_tol = 1e-2
nl_rel_tol = 2e-2
nl_abs_tol = 2e-2
constitutive_model = hyper_elasticity
stress = stress
applied_macroscopic_strain = applied_strain
[]
[]
[]
[Postprocess]
[displacements]
type = ComputeDisplacements
buffer = disp
F = F
[]
[vonmises]
type = ComputeVonMisesStress
buffer = sV
[]
[]
[]
[TensorSolver]
# no variables are integrated by this solver (FFTMechanics performs a steady state mechanics solve)
type = ForwardEulerSolver
root_compute = root
# deformation tensor is just forwarded Fnew -> F
forward_buffer = F
forward_buffer_new = Fnew
substeps = 10
[]
[TensorOutputs]
active = 'parallel' # serial
[serial]
type = XDMFTensorOutput
file_base = mech3d_serial
buffer = 'disp sV F phase'
output_mode = 'OVERSIZED_NODAL CELL CELL NODE'
enable_hdf5 = true
execute_on = 'TIMESTEP_END'
[]
[parallel]
# NODE and OVERSIZED_NODAL are not yet available in parallel output
type = XDMFTensorOutput
file_base = mech3d_parallel
buffer = 'sV F phase'
output_mode = 'CELL CELL CELL'
enable_hdf5 = true
execute_on = 'TIMESTEP_END'
[]
[]
[Executioner]
type = Transient
num_steps = 3
dt = 0.01
[]
(examples/phase_field_crystal/pfc_fcc_atomic_structure_3d.i)
# 3D FCC PFC test showing atomic-scale density fluctuations
# Based on PhysRevE.81.061601 two-mode FCC PFC model
# Grid parameters - 3D resolution
N = 64 # Grid points per dimension (64^3 = 262k points)
# PFC model parameters - LARGER epsilon for clearer atomic structure
psi_mean = -0.2 # Mean density
epsilon = 0.15 # Larger undercooling for stronger modulations
R1_param = 0.0 # Two-mode coupling (0 for max FCC stability)
Q1_param = ${fparse sqrt(4.0/3.0)} # FCC wave number ratio
# Domain size: want several unit cells
# The (111) wavelength is 2*pi/q0 = 2*pi*sqrt(3/4) ≈ 5.44 (dimensionless)
# Fit 8 wavelengths in each direction
Lx = ${fparse 8 * 2 * ${pi} / ${Q1_param}}
Ly = ${Lx}
Lz = ${Lx}
[Domain]
dim = 3
nx = ${N}
ny = ${N}
nz = ${N}
xmax = ${Lx}
ymax = ${Ly}
zmax = ${Lz}
[]
[TensorComputes]
[Initialize]
# Random perturbations to seed crystal growth
[psi]
type = RandomTensor
buffer = psi
max = ${fparse ${psi_mean} + 0.01}
min = ${fparse ${psi_mean} - 0.01}
seed = 12345
[]
# Linear operator for FCC
[linear]
type = FCCPFCLinear
buffer = 'linear'
eps = ${epsilon}
R1 = ${R1_param}
Q1 = ${Q1_param}
mobility = 1.0
[]
# Dealiasing for cubic nonlinearity
[smooth_operator]
type = DeAliasingTensor
buffer = smooth_operator
method = HOULI
[]
[]
[Solve]
# Nonlinear term
[nl_div_psi_cubed]
type = FCCPFCNonlinear
buffer = NL
psi = psi
dealiasing = smooth_operator
mobility = 1.0
[]
# FFT for spectral solver
[psi_hat]
type = ForwardFFT
buffer = psi_hat
input = psi
[]
[]
[]
[TensorSolver]
type = AdamsBashforthMoulton
buffer = 'psi'
linear_reciprocal = 'linear'
nonlinear_reciprocal = 'NL'
reciprocal_buffer = 'psi_hat'
corrector_order = 1
corrector_steps = 3
predictor_order = 1
substeps = 10000
[]
[Postprocessors]
[max_psi]
type = TensorExtremeValuePostprocessor
buffer = psi
value_type = MAX
execute_on = 'initial timestep_end'
[]
[min_psi]
type = TensorExtremeValuePostprocessor
buffer = psi
value_type = MIN
execute_on = 'initial timestep_end'
[]
[mean_psi]
type = TensorAveragePostprocessor
buffer = psi
execute_on = 'initial timestep_end'
[]
[]
[TensorOutputs]
[xdmf]
type = XDMFTensorOutput
buffer = 'psi'
enable_hdf5 = true
[]
[]
[Executioner]
type = Transient
num_steps = 200 # Reduced for 3D (much more expensive)
dt = 5
[]
[Outputs]
perf_graph = true
csv = true
[]
(test/tests/tensor_compute/rotating_grain_secant.i)
w=6
[Domain]
dim = 2
nx = 40
ny = 40
xmax = ${fparse w*pi*2}
ymax = ${fparse w*pi*2/sin(pi/3)}
mesh_mode = DOMAIN
[]
[AuxVariables]
[phi]
[]
[]
[Outputs]
exodus = false
[]
[TensorBuffers]
[psi]
map_to_aux_variable = phi
[]
[psibar]
[]
[psi3]
[]
[psi3bar]
[]
# constant tensors
[linear]
[]
[]
crystal = '-(sin(sin(a)*y/2+cos(a)*x/2)^2 + sin(sin(a+1/3*pi)*y/2+cos(a+1/3*pi)*x/2)^2 + sin(sin(a-1/3*pi)*y/2+cos(a-1/3*pi)*x/2)^2 - 1.5)*0.25'
[Functions]
[grain1]
type = ParsedFunction
expression = 'a := 0; ${crystal}'
[]
[grain2]
type = ParsedFunction
expression = 'a := 0.95; ${crystal}'
[]
[domain]
type = ParsedFunction
expression = 'r := (x-${w}*pi)^2+(y-${w}*pi)^2; if(r<(${w}*2/3*pi)^2, grain2, grain1)'
symbol_names = 'grain1 grain2'
symbol_values = 'grain1 grain2'
[]
[]
[TensorComputes]
[Initialize]
[psi]
type = MooseFunctionTensor
buffer = psi
function = domain
[]
[linear]
type = SwiftHohenbergLinear
buffer = linear
alpha = 1
r = 0.025
[]
[]
[Solve]
[psi3]
type = ParsedCompute
buffer = psi3
expression = "0.20*psi^2-psi^3"
inputs = psi
[]
[psibar]
type = ForwardFFT
buffer = psibar
input = psi
[]
[psi3bar]
type = ForwardFFT
buffer = psi3bar
input = psi3
[]
[]
[]
[TensorSolver]
type = SecantSolver
buffer = psi
substeps = 3
reciprocal_buffer = psibar
linear_reciprocal = linear
nonlinear_reciprocal = psi3bar
[]
[Problem]
type = TensorProblem
[]
[Executioner]
type = Transient
num_steps = 10
[TimeStepper]
type = TensorSolveIterationAdaptiveDT
dt = 1
max_iterations = 400
min_iterations = 100
growth_factor = 1.4
cutback_factor = 0.9
[]
dtmax = 500
[]
[TensorOutputs]
[xdmf]
type = XDMFTensorOutput
buffer = 'psi'
enable_hdf5 = true
# Do not transpose output to avoid regolding the test. In practice the default
# of transpose = true should always be used
transpose = false
[]
[]
(examples/lbm/Phase-field/droplet_impact.i)
#
# Droplet Impact on a Thin Liquid Film
# PHYSICAL REVIEW E 97, 033309 (2018) - Section III.D
#
# Domain
Nx = 1500
Ny = 500
# Fluid properties (Re=500, We=8000, 1000:1)
rho_l = 1000.0
rho_g = 1.0
# mu_l = 20.0
# mu_g = 0.2
nu_l = 0.02
nu_g = 0.2
sigma = 0.0625
# Phase field parameters
tau_h = 0.8
D = 5
[Domain]
dim = 2
nx = '${Nx}'
ny = '${Ny}'
xmax = '${Nx}'
ymax = '${Ny}'
device_names = 'cuda'
parallel_mode = REAL_SPACE
periodic_directions = 'X Y'
[]
[Stencil]
[d2q9]
type = LBMD2Q9
[]
[]
[TensorBuffers]
[phi]
type = LBMTensorBuffer
buffer_type = ms
file = phi.h5
[]
[ux]
type = LBMTensorBuffer
buffer_type = ms
file = ux.h5
[]
[uy]
type = LBMTensorBuffer
buffer_type = ms
file = uy.h5
[]
[velocity]
type = LBMTensorBuffer
buffer_type = mv
[]
[grad_phi]
type = LBMTensorBuffer
buffer_type = mv
[]
[laplacian_phi]
type = LBMTensorBuffer
buffer_type = ms
[]
[mu]
type = LBMTensorBuffer
buffer_type = ms
[]
[forces]
type = LBMTensorBuffer
buffer_type = mv
[]
[speed]
type = LBMTensorBuffer
buffer_type = ms
[]
[pressure]
type = LBMTensorBuffer
buffer_type = ms
[]
[rho]
type = LBMTensorBuffer
buffer_type = ms
[]
[h]
type = LBMTensorBuffer
buffer_type = df
[]
[h_post_collision]
type = LBMTensorBuffer
buffer_type = df
[]
[h_eq]
type = LBMTensorBuffer
buffer_type = df
[]
[relaxation_tensor]
type = LBMTensorBuffer
buffer_type = ms
[]
[f]
type = LBMTensorBuffer
buffer_type = df
[]
[f_post_collision]
type = LBMTensorBuffer
buffer_type = df
[]
[f_eq]
type = LBMTensorBuffer
buffer_type = df
[]
[]
[TensorComputes/Initialize]
[u_stack]
type = LBMStackTensors
buffer = velocity
inputs = 'ux uy'
[]
[grad_phi_init]
type = LBMIsotropicGradient
buffer = grad_phi
scalar_field = phi
[]
[rho_init]
type = ParsedCompute
buffer = rho
expression = 'phi * (rho_l - rho_g) + rho_g'
constant_names = 'rho_l rho_g'
constant_expressions = '${rho_l} ${rho_g}'
inputs = phi
[]
[pressure_init]
type = LBMConstantTensor
buffer = pressure
constants = 0.3
[]
# Equilibrium
[h_eq_init]
type = LBMPhaseEquilibrium
buffer = h_eq
phi = phi
velocity = velocity
[]
[h_init]
type = ParsedCompute
buffer = h
expression = 'h_eq'
inputs = h_eq
[]
[h_post_collision_init]
type = ParsedCompute
buffer = h_post_collision
expression = 'h_eq'
inputs = h_eq
[]
[f_eq_init]
type = LBMPressureCorrectedEquilibrium
buffer = f_eq
rho = rho
velocity = velocity
pressure = pressure
[]
[f_init]
type = ParsedCompute
buffer = f
expression = 'f_eq'
inputs = f_eq
[]
[f_post_collision_init]
type = ParsedCompute
buffer = f_post_collision
expression = 'f_eq'
inputs = f_eq
[]
[]
[TensorComputes/Solve]
[compute_phi]
type = LBMComputeDensity
buffer = phi
f = h
[]
[grad_phi]
type = LBMIsotropicGradient
buffer = grad_phi
scalar_field = phi
[]
[laplacian_phi]
type = LBMIsotropicLaplacian
buffer = laplacian_phi
scalar_field = phi
[]
[potential]
type = LBMComputeChemicalPotential
buffer = mu
phi = phi
laplacian_phi = laplacian_phi
thickness = D
sigma = sigma
[]
[compute_forces]
type = LBMComputeSurfaceForces
buffer = forces
chemical_potential = mu
grad_phi = grad_phi
[]
[density]
type = ParsedCompute
buffer = rho
expression = 'phi * (rho_l - rho_g) + rho_g'
constant_names = 'rho_l rho_g'
constant_expressions = '${rho_l} ${rho_g}'
inputs = phi
[]
[velocity]
type = LBMComputeVelocity
buffer = velocity
f = f
rho = rho
enable_forces = true
forces = forces
[]
[h_eq]
type = LBMPhaseEquilibrium
buffer = h_eq
phi = phi
velocity = velocity
[]
[phase_collision]
type = LBMBGKCollision
buffer = h_post_collision
f = h
feq = h_eq
tau0 = tau_h
[]
[apply_forces_phase]
type = LBMAllenCahnSource
buffer = h_post_collision
phi = phi
velocity = velocity
grad_phi = grad_phi
tau = tau_h
thickness = D
[]
[relaxation_tensor]
type = ParsedCompute
buffer = relaxation_tensor
expression = '(phi * (nu_l - nu_g) + nu_g) / cs2 + 0.5'
constant_names = 'nu_l nu_g cs2'
constant_expressions = '${nu_l} ${nu_g} 0.333333333333'
inputs = 'phi'
[]
[pressure]
type = LBMPhaseFieldPressure
buffer = pressure
f = f
velocity = velocity
grad_phi = grad_phi
rho = rho
rho_l = '${rho_l}'
rho_g = '${rho_g}'
[]
[f_eq]
type = LBMPressureCorrectedEquilibrium
buffer = f_eq
rho = rho
velocity = velocity
pressure = pressure
[]
[collision]
type = LBMBGKCollision
buffer = f_post_collision
f = f
feq = f_eq
tau0 = 1.0
is_dynamic_relaxation = true
tau_tensor = relaxation_tensor
[]
[apply_forces_hydro]
type = LBMForceDistribution
buffer = f_post_collision
grad_phi = grad_phi
velocity = velocity
forces = forces
tau_tensor = relaxation_tensor
tau = 1.0
rho_l = '${rho_l}'
rho_g = '${rho_g}'
is_dynamic_relaxation = true
[]
[residual]
type = LBMComputeResidual
buffer = phi
speed = phi
[]
[]
[TensorComputes/Boundary]
# Bounce back on both top and bottom
[top_fluid]
type = LBMBounceBack
buffer = f
f_old = f_post_collision
boundary = top
[]
[bottom_fluid]
type = LBMBounceBack
buffer = f
f_old = f_post_collision
boundary = bottom
[]
[top_phase]
type = LBMBounceBack
buffer = h
f_old = h_post_collision
boundary = top
[]
[bottom_phase]
type = LBMBounceBack
buffer = h
f_old = h_post_collision
boundary = bottom
[]
[]
[TensorSolver]
type = LBMStream
buffer = 'h f'
f_old = 'h_post_collision f_post_collision'
root_compute = residual
[]
[Problem]
type = LatticeBoltzmannProblem
substeps = 200
print_debug_output = true
scalar_constant_names = 'tau_h D sigma'
scalar_constant_values = '${tau_h} ${D} ${sigma}'
[]
[Executioner]
type = Transient
num_steps = 50
[]
[TensorOutputs]
[xdmf]
type = XDMFTensorOutput
buffer = 'phi velocity rho'
output_mode = 'Cell Cell Cell'
enable_hdf5 = true
transpose = false
[]
[]
(examples/lbm/Phase-field/spinodal_decomposition.i)
#
# Spinodal decomposition
# PHYSICAL REVIEW E 97, 033309 (2018) - Section III.C
#
# Domain
Nx = 200
Ny = 200
# Fluid properties
rho_l = 1000.0
rho_g = 1.0
nu_l = 0.1
nu_g = 1.0
sigma = 0.2
# Phase field parameters
tau_h = 0.67
D = 4
[Domain]
dim = 2
nx = '${Nx}'
ny = '${Ny}'
xmax = '${Nx}'
ymax = '${Ny}'
device_names='cpu'
parallel_mode = REAL_SPACE
periodic_directions = 'X Y'
[]
[Stencil]
[d2q9]
type = LBMD2Q9
[]
[]
[TensorBuffers]
# Macroscopic phase field variables
[phi]
type = LBMTensorBuffer
buffer_type = ms
[]
[grad_phi]
type = LBMTensorBuffer
buffer_type = mv
[]
[laplacian_phi]
type = LBMTensorBuffer
buffer_type = ms
[]
[mu]
type = LBMTensorBuffer
buffer_type = ms
[]
[forces]
type = LBMTensorBuffer
buffer_type = mv
[]
# Macroscopic hydrodynamic variables
[velocity]
type = LBMTensorBuffer
buffer_type = mv
[]
[pressure]
type = LBMTensorBuffer
buffer_type = ms
[]
[rho]
type = LBMTensorBuffer
buffer_type = ms
[]
# LBM phase field variabels
[h]
type = LBMTensorBuffer
buffer_type = df
[]
[h_post_collision]
type = LBMTensorBuffer
buffer_type = df
[]
[h_eq]
type = LBMTensorBuffer
buffer_type = df
[]
[relaxation_tensor]
type = LBMTensorBuffer
buffer_type = ms
[]
# LBM hydrodynamic variables
[fdummy]
type = LBMTensorBuffer
buffer_type = df
[]
[f]
type = LBMTensorBuffer
buffer_type = df
[]
[f_post_collision]
type = LBMTensorBuffer
buffer_type = df
[]
[f_eq]
type = LBMTensorBuffer
buffer_type = df
[]
[]
[TensorComputes/Initialize]
[phi_init]
type = RandomTensor
buffer = phi
min = 0.3233
max = 0.3433
[]
[grad_phi_init]
type = LBMIsotropicGradient
buffer = grad_phi
scalar_field = phi
[]
[rho_init]
type = ParsedCompute
buffer = rho
extra_symbols = true
expression = 'phi*(rho_l - rho_g) + rho_g'
constant_names = 'rho_l rho_g'
constant_expressions = '${rho_l} ${rho_g}'
inputs = phi
[]
[pressure_init]
type = LBMConstantTensor
buffer = pressure
constants = 0.3
[]
# Phase field equilibrium distribution initialization
[h_eq_init]
type = LBMPhaseEquilibrium
buffer = h_eq
phi = phi
velocity = velocity
[]
[h_post_collision_init]
type = LBMPhaseEquilibrium
buffer = h_post_collision
phi = phi
velocity = velocity
[]
[h_init]
type = LBMPhaseEquilibrium
buffer = h
phi = phi
velocity = velocity
[]
# Hydrodynamic equilibrium distribution initialization
[f_eq_init]
type = LBMPressureCorrectedEquilibrium
buffer = f_eq
rho = rho
velocity = velocity
pressure = pressure
[]
[f_post_collision_init]
type = ParsedCompute
buffer = f_post_collision
expression = 'f_eq'
inputs = f_eq
[]
[f_init]
type = ParsedCompute
buffer = f
expression = 'f_eq'
inputs = f_eq
[]
[]
[TensorComputes/Solve]
# Phase Field
[compute_phi]
type = LBMComputeDensity
buffer = phi
f = h
[]
[grad_phi]
type = LBMIsotropicGradient
buffer = grad_phi
scalar_field = phi
[]
[laplacian_phi]
type = LBMIsotropicLaplacian
buffer = laplacian_phi
scalar_field = phi
[]
[potential]
type = LBMComputeChemicalPotential
buffer = mu
phi = phi
laplacian_phi = laplacian_phi
thickness = D
sigma = sigma
[]
[forces]
type = LBMComputeSurfaceForces
buffer = forces
chemical_potential = mu
grad_phi = grad_phi
[]
# Hydrodynamics
[density]
type = ParsedCompute
buffer = rho
extra_symbols = true
expression = 'phi*(rho_l - rho_g) + rho_g'
constant_names = 'rho_l rho_g'
constant_expressions = '${rho_l} ${rho_g}'
inputs = phi
[]
[velocity]
type = LBMComputeVelocity
buffer = velocity
f = f
rho = rho
enable_forces = true
forces = forces
[]
# Phase-field
[h_eq]
type = LBMPhaseEquilibrium
buffer = h_eq
phi = phi
velocity = velocity
[]
[phase_collision]
type = LBMBGKCollision
buffer = h_post_collision
f = h
feq = h_eq
tau0 = tau_h
[]
[apply_forces_phase]
type = LBMAllenCahnSource
buffer = h_post_collision
phi = phi
velocity = velocity
grad_phi = grad_phi
tau = tau_h
thickness = D
[]
# Hydrodynamics
[relaxation_tensor]
type = ParsedCompute
buffer = relaxation_tensor
extra_symbols = true
expression = '(phi*(nu_l - nu_g) + nu_g)/cs2+0.5'
constant_names = 'nu_l nu_g cs2'
constant_expressions = '${nu_l} ${nu_g} 0.3333'
inputs = phi
[]
[pressure]
type = LBMPhaseFieldPressure
buffer = pressure
f = f
velocity = velocity
grad_phi = grad_phi
rho = rho
rho_l = '${rho_l}'
rho_g = '${rho_g}'
[]
[f_eq]
type = LBMPressureCorrectedEquilibrium
buffer = f_eq
rho = rho
velocity = velocity
pressure = pressure
[]
[collision]
type = LBMBGKCollision
buffer = f_post_collision
f = f
feq = f_eq
tau0 = 1.0
is_dynamic_relaxation = true
tau_tensor = relaxation_tensor
[]
[apply_forces_hydro]
type = LBMForceDistribution
buffer = f_post_collision
grad_phi = grad_phi
velocity = velocity
forces = forces
tau_tensor = relaxation_tensor
tau = 1.0
rho_l = '${rho_l}'
rho_g = '${rho_g}'
is_dynamic_relaxation = true
[]
[residual]
type = LBMComputeResidual
buffer = phi
speed = phi
[]
[]
[TensorSolver]
type = LBMStream
buffer = 'h f'
f_old = 'h_post_collision f_post_collision'
root_compute = residual
[]
[Problem]
type = LatticeBoltzmannProblem
substeps = 500
print_debug_output = true
scalar_constant_names = 'tau_h D sigma'
scalar_constant_values = '${tau_h} ${D} ${sigma}'
log_interval = 100
[]
[Executioner]
type = Transient
num_steps = 100
[]
[TensorOutputs]
[xdmf]
type = XDMFTensorOutput
buffer = 'phi rho velocity'
output_mode = 'Cell Cell Cell'
enable_hdf5 = true
# transpose = false
[]
[]
(test/tests/cahnhilliard/cahnhilliard.i)
#
# Simple Cahn-Hilliard solve on a 2D grid. We create a matching (conforming)
# MOOSE mesh (with one element per FFT grid cell) and project the solution onto
# the MOOSE mesh to utilize the exodus output object.
#
[Domain]
dim = 2
nx = 20
ny = 20
xmax = 3
ymax = 3
mesh_mode = DOMAIN
[]
# In this input we fully trely on implicit TensorBuffer declaration
[TensorComputes]
[Initialize]
[c]
# Random initial condition around a concentration of 1/2
type = RandomTensor
buffer = c
min = 0.44
max = 0.56
seed = 0
[]
[mu_init]
type = ConstantTensor
buffer = mu
[]
# precompute fixed factors for the solve
[Mbar]
type = ReciprocalLaplacianFactor
factor = 0.2 # Mobility
buffer = Mbar
[]
[kappabarbar]
type = ReciprocalLaplacianSquareFactor
factor = -0.001 # kappa
buffer = kappabarbar
[]
[]
[Solve]
[cahn_hilliard]
[mu]
type = ParsedCompute
buffer = mu
expression = '0.1*c^2*(c-1)^2'
derivatives = c
inputs = c
[]
[mubar]
type = ForwardFFT
buffer = mubar
input = mu
[]
[Mbarmubar]
type = ParsedCompute
buffer = Mbarmubar
expression = 'Mbar*mubar'
inputs = 'Mbar mubar'
[]
[cbar]
type = ForwardFFT
buffer = cbar
input = c
[]
[]
[]
[]
[TensorSolver]
type = AdamsBashforthMoulton
root_compute = cahn_hilliard
buffer = c
reciprocal_buffer = cbar
linear_reciprocal = kappabarbar
nonlinear_reciprocal = Mbarmubar
substeps = 10
[]
[AuxVariables]
[mu]
# the mu tensor is projected onto this elemental variable
family = MONOMIAL
order = CONSTANT
[]
[c]
# the c tensor is projected onto this nodal variable
[]
[]
[AuxKernels]
active = ''
[c]
type = ProjectTensorAux
buffer = c
variable = c
execute_on = 'INITIAL TIMESTEP_END'
[]
[mu]
type = ProjectTensorAux
buffer = mu
variable = mu
execute_on = 'INITIAL TIMESTEP_END'
[]
[]
[Postprocessors]
[min_c]
type = SemiImplicitCriticalTimeStep
buffer = kappabarbar
execute_on = 'INITIAL TIMESTEP_END'
[]
[delta_int_c]
type = TensorIntegralChangePostprocessor
buffer = c
[]
[]
[Problem]
type = TensorProblem
[]
[Executioner]
type = Transient
num_steps = 10
dt = 1e-3
[]
[TensorOutputs]
active = ''
[xdmf]
type = XDMFTensorOutput
buffer = 'c mu'
output_mode = 'Node Cell'
enable_hdf5 = true
# Do not transpose output to avoid regolding the test. In practice the default
# of transpose = true should always be used
transpose = false
[]
[xdmf2]
# second output to trigger the hdf5 thread safety error
type = XDMFTensorOutput
buffer = 'c'
output_mode = 'Cell'
enable_hdf5 = true
# Do not transpose output to avoid regolding the test. In practice the default
# of transpose = true should always be used
transpose = false
[]
[]
[Outputs]
exodus = true
csv = true
[]
(examples/lbm/Karman-vortex/cylinder.i)
[Domain]
dim = 2
nx = 800
ny = 200
xmax = 4
ymax = 1
device_names='cpu'
parallel_mode = REAL_SPACE
periodic_directions = 'X Y'
[]
[Stencil]
[d2q9]
type = LBMD2Q9
[]
[]
[TensorBuffers]
[rho]
type=LBMTensorBuffer
buffer_type = ms
[]
[u]
type=LBMTensorBuffer
buffer_type = mv
[]
[speed]
type=LBMTensorBuffer
buffer_type = ms
[]
[f]
type=LBMTensorBuffer
buffer_type = df
[]
[feq]
type=LBMTensorBuffer
buffer_type = df
[]
[f_post_collision]
type=LBMTensorBuffer
buffer_type = df
[]
[binary_media]
type = LBMTensorBuffer
file = binary_media.h5
is_integer = true
buffer_type = ms
[]
[]
[TensorComputes]
[Initialize]
[rho]
type=LBMConstantTensor
buffer=rho
constants = rho0
[]
[u]
type=LBMConstantTensor
buffer=u
constants = 'Ux Uy'
[]
[speed]
type=LBMComputeVelocityMagnitude
buffer=speed
velocity=u
[]
[feq]
type=LBMEquilibrium
buffer=feq
bulk=rho
velocity=u
[]
[f]
type=LBMEquilibrium
buffer=f
bulk=rho
velocity=u
[]
[f_post_coll]
type=LBMEquilibrium
buffer=f_post_collision
bulk=rho
velocity=u
[]
[]
[Solve]
[Density]
type = LBMComputeDensity
buffer=rho
f = f
[]
[Velocity]
type = LBMComputeVelocity
buffer=u
f = f
rho = rho
[]
[Equilibrium]
type = LBMEquilibrium
buffer=feq
bulk=rho
velocity=u
[]
[Collision]
type = LBMSmagorinskyCollision
buffer = f_post_collision
f = f
feq = feq
tau0 = tau
projection=true
[]
[Speed]
type = LBMComputeVelocityMagnitude
buffer = speed
velocity = u
[]
[Residual]
type = LBMComputeResidual
buffer = speed
speed = speed
[]
[]
[Boundary]
[wall]
type = LBMBounceBack
buffer = f
f_old = f_post_collision
boundary = wall
[]
[left]
type = LBMFixedFirstOrderBC
buffer=f
f=f
value='Ux'
perturb=true
boundary=left
[]
[right]
type = LBMMicroscopicZeroGradientBC
buffer=f
boundary=right
[]
[]
[]
[TensorSolver]
type = LBMStream
buffer = f
f_old = f_post_collision
root_compute=residual
[]
[Postprocessors]
[rho_avg]
type = TensorAveragePostprocessor
buffer = rho
execute_on = 'TIMESTEP_END'
[]
[speed_avg]
type = TensorAveragePostprocessor
buffer = speed
execute_on = 'TIMESTEP_END'
[]
[reynolds]
type = ComputeReynoldsNumber
buffer = speed
tau = tau
diameter = D
[]
[]
[Problem]
type = LatticeBoltzmannProblem
scalar_constant_names = 'rho0 Ux Uy tau dx D Cs'
scalar_constant_values = '1.0 0.01 0.0 0.506 0.001 40 0.15'
substeps = 100
print_debug_output=true
binary_media = binary_media
[]
[Executioner]
type = Transient
num_steps = 10000
[]
[TensorOutputs]
[xdmf2]
type = XDMFTensorOutput
buffer = 'rho u speed binary_media'
output_mode = 'Cell Cell Cell Cell'
enable_hdf5 = true
[]
[]
(examples/swift_hohenberg/swifthohenberg.i)
#
# Solve a simple Swift-Hohenberg crystal phase field problem. The initial condition is
# a random melt, which crystalizes out.
#
[Domain]
dim = 2
nx = 400
ny = 400
xmax = ${fparse pi*2*30}
ymax = ${fparse pi*2*30}
device_names = 'cuda'
mesh_mode = DOMAIN
[]
[TensorBuffers]
[psi]
map_to_aux_variable = psi
[]
[psibar]
[]
[psi3]
[]
[psi3bar]
[]
# constant tensors
[linear]
[]
# output
[filter]
map_to_aux_variable = filter
[]
[filterbar]
[]
[]
[AuxVariables]
[psi]
[]
[filter]
[]
[]
[TensorComputes]
[Initialize]
[psi]
type = RandomTensor
buffer = psi
min = 0
max = 0.07
[]
[linear]
type = SwiftHohenbergLinear
buffer = linear
alpha = 1
r = 0.025
[]
[]
[Solve]
[psi3]
type = ParsedCompute
buffer = psi3
expression = "0.20*psi^2-psi^3"
inputs = psi
[]
[psibar]
type = ForwardFFT
buffer = psibar
input = psi
[]
[psi3bar]
type = ForwardFFT
buffer = psi3bar
input = psi3
[]
[]
[Postprocess]
[low_pass]
type = ParsedCompute
buffer = filterbar
extra_symbols = true
expression = 'psibar * exp(-k2*10)'
inputs = psibar
[]
[filter]
type = InverseFFT
buffer = filter
input = filterbar
[]
[]
[]
[TensorTimeIntegrators]
[c]
type = FFTSemiImplicit
buffer = psi
reciprocal_buffer = psibar
linear_reciprocal = linear
nonlinear_reciprocal = psi3bar
[]
[]
[Problem]
type = TensorProblem
spectral_solve_substeps = 1000
[]
[Executioner]
type = Transient
num_steps = 300
[TimeStepper]
type = IterationAdaptiveDT
growth_factor = 1.2
dt = 10
[]
dtmax = 1000
[]
[Postprocessors]
[min_psi]
type = TensorExtremeValuePostprocessor
buffer = psi
value_type = MIN
execute_on = 'TIMESTEP_END'
[]
[max_psi]
type = TensorExtremeValuePostprocessor
buffer = psi
value_type = MAX
execute_on = 'TIMESTEP_END'
[]
[Psi]
type = TensorIntegralPostprocessor
buffer = psi
[]
[]
[TensorOutputs]
[xdmf]
type = XDMFTensorOutput
buffer = 'psi'
output_mode = 'Node'
enable_hdf5 = true
[]
[]
[Outputs]
exodus = true
perf_graph = true
execute_on = 'TIMESTEP_END'
[]
(test/tests/tensor_compute/coupled_pf_mech_secant.i)
[Domain]
dim = 3
nx = 128
ny = 128
nz = 128
xmax = ${fparse pi*4}
ymax = ${fparse pi*4}
zmax = ${fparse pi*4}
mesh_mode = DUMMY
[]
[TensorBuffers]
# phase field
[c]
[]
[cbar]
[]
[mu]
[]
[mubar]
[]
[Mbarmubar]
[]
# mechanics
[disp_x]
[]
[disp_y]
[]
[disp_z]
[]
[mumechbar]
[]
[mumech]
[]
# constant tensors
[Mbar]
[]
[kappabarbar]
[]
[]
[TensorOutputs]
[xdmf]
type = XDMFTensorOutput
buffer = 'c disp_x disp_y disp_z mu mumech'
output_mode = 'Node Node Node Node Cell Cell'
enable_hdf5 = true
[]
[]
[TensorComputes]
[Initialize]
[c]
type = RandomTensor
buffer = c
min = 0.44
max = 0.56
[]
[mu_init]
type = ConstantTensor
buffer = mu
[]
[mumech_init]
type = ConstantTensor
buffer = mumech
[]
[disp_x]
type = RandomTensor
buffer = disp_x
min = 0
max = 0
[]
[disp_y]
type = RandomTensor
buffer = disp_y
min = 0
max = 0
[]
[disp_z]
type = RandomTensor
buffer = disp_z
min = 0
max = 0
[]
[Mbar]
type = ReciprocalLaplacianFactor
factor = 0.2 # Mobility
buffer = Mbar
[]
[kappabarbar]
type = ReciprocalLaplacianSquareFactor
factor = -0.001 # kappa
buffer = kappabarbar
[]
[]
[Solve]
[mu]
# chemical potential (real space)
type = ParsedCompute
buffer = mu
expression = '0.1*c^2*(c-1)^2' # + c*sin(x/2)*0.005'
extra_symbols = true
derivatives = c
inputs = c
[]
[mubar]
# chemical potential (reciprocal space)
type = ForwardFFT
buffer = mubar
input = mu
[]
[mumechbar]
# mechanical chemical potential (reciprocal space)
type = FFTElasticChemicalPotential
buffer = mumechbar
cbar = cbar
displacements = 'disp_x disp_y disp_z'
lambda = 100
mu = 50
e0 = 0.02
[]
[mumech]
# chemical potential (reciprocal space)
type = InverseFFT
buffer = mumech
input = mumechbar
[]
[Mbarmubar]
type = ParsedCompute
buffer = Mbarmubar
expression = 'Mbar*(mubar+mumechbar)'
inputs = 'Mbar mubar mumechbar'
[]
[cbar]
type = ForwardFFT
buffer = cbar
input = c
[]
[qsmech]
type = FFTQuasistaticElasticity
displacements = 'disp_x disp_y disp_z'
cbar = cbar
lambda = 100
mu = 50
e0 = 0.02
[]
[]
[]
[TensorSolver]
type = SecantSolver
substeps = 1
max_iterations = 1000
# damping = 0.75
relative_tolerance = 1e-6
absolute_tolerance = 1e-6
buffer = c
dt_epsilon = 1e-7
reciprocal_buffer = cbar
linear_reciprocal = kappabarbar
nonlinear_reciprocal = Mbarmubar
verbose = true
[]
[Postprocessors]
[min_c]
type = TensorExtremeValuePostprocessor
buffer = c
value_type = MIN
execute_on = 'TIMESTEP_END'
[]
[max_c]
type = TensorExtremeValuePostprocessor
buffer = c
value_type = MAX
execute_on = 'TIMESTEP_END'
[]
[min_disp_x]
type = TensorExtremeValuePostprocessor
buffer = disp_x
value_type = MIN
execute_on = 'TIMESTEP_END'
[]
[max_disp_x]
type = TensorExtremeValuePostprocessor
buffer = disp_x
value_type = MAX
execute_on = 'TIMESTEP_END'
[]
[min_disp_y]
type = TensorExtremeValuePostprocessor
buffer = disp_y
value_type = MIN
execute_on = 'TIMESTEP_END'
[]
[max_disp_y]
type = TensorExtremeValuePostprocessor
buffer = disp_y
value_type = MAX
execute_on = 'TIMESTEP_END'
[]
[min_disp_z]
type = TensorExtremeValuePostprocessor
buffer = disp_z
value_type = MIN
execute_on = 'TIMESTEP_END'
[]
[max_disp_z]
type = TensorExtremeValuePostprocessor
buffer = disp_z
value_type = MAX
execute_on = 'TIMESTEP_END'
[]
[C]
type = TensorIntegralPostprocessor
buffer = c
execute_on = 'TIMESTEP_END'
[]
[cavg]
type = TensorAveragePostprocessor
buffer = c
execute_on = 'TIMESTEP_END'
[]
[]
[Problem]
type = TensorProblem
[]
[Executioner]
type = Transient
end_time = 100
[TimeStepper]
type = TensorSolveIterationAdaptiveDT
dt = 0.1
max_iterations = 500
min_iterations = 300
growth_factor = 1.1
cutback_factor = 0.9
[]
[]
[Outputs]
csv = true
perf_graph = true
execute_on = 'TIMESTEP_END'
[]
(test/tests/tensor_compute/parallel.i)
[Domain]
device_names = "cuda:1 cuda:0 cpu"
device_weights = "10 10 1"
parallel_mode = FFT_SLAB
dim = 2
nx = 400
ny = 400
xmax = ${fparse pi*2*30}
ymax = ${fparse pi*2*30}
[]
# [Mesh]
# type = GeneratedMesh
# dim =1
# []
[TensorBuffers]
[psi]
# map_to_aux_variable = psi
[]
[psibar]
[]
[psi3]
[]
[psi3bar]
[]
# constant tensors
[linear]
[]
# output
[filter]
# map_to_aux_variable = filter
[]
[filterbar]
[]
[]
[AuxVariables]
[psi]
[]
[filter]
[]
[]
[TensorComputes]
[Initialize]
[psi]
type = RandomTensor
buffer = psi
min = 0
max = 0.07
[]
[linear]
type = SwiftHohenbergLinear
buffer = linear
alpha = 1
r = 0.025
[]
[]
[Solve]
[psi3]
type = ParsedCompute
buffer = psi3
expression = "0.20*psi^2-psi^3"
inputs = psi
[]
[psibar]
type = ForwardFFT
buffer = psibar
input = psi
[]
[psi3bar]
type = ForwardFFT
buffer = psi3bar
input = psi3
[]
[]
[Postprocess]
[low_pass]
type = ParsedCompute
buffer = filterbar
extra_symbols = true
expression = 'psibar * exp(-k2*10)'
inputs = psibar
[]
[filter]
type = InverseFFT
buffer = filter
input = filterbar
[]
[]
[]
[TensorTimeIntegrators]
[c]
type = FFTSemiImplicit
buffer = psi
reciprocal_buffer = psibar
linear_reciprocal = linear
nonlinear_reciprocal = psi3bar
[]
[]
[Problem]
type = TensorProblem
spectral_solve_substeps = 1000
[]
[Executioner]
type = Transient
num_steps = 300
[TimeStepper]
type = IterationAdaptiveDT
growth_factor = 1.2
dt = 10
[]
dtmax = 1000
[]
[Postprocessors]
[min_psi]
type = TensorExtremeValuePostprocessor
buffer = psi
value_type = MIN
execute_on = 'TIMESTEP_END'
[]
[max_psi]
type = TensorExtremeValuePostprocessor
buffer = psi
value_type = MAX
execute_on = 'TIMESTEP_END'
[]
[Psi]
type = TensorIntegralPostprocessor
buffer = psi
[]
[]
# [TensorOutputs]
# [xdmf]
# type = XDMFTensorOutput
# buffer = 'psi'
# output_mode = 'Node'
# enable_hdf5 = true
# []
# []
[Outputs]
exodus = true
perf_graph = true
execute_on = 'TIMESTEP_END'
[]
(test/tests/real_space/laplacian.i)
[Domain]
dim = 2
nx = 80
ny = 60
parallel_mode = REAL_SPACE
periodic_directions = 'X Y'
xmin = -1
ymin = -1
xmax = 1
ymax = 1
[]
[TensorBuffers]
[u]
type = PlainTensorBuffer
[]
[u_gold]
type = PlainTensorBuffer
[]
[lap]
type = PlainTensorBuffer
[]
[]
[TensorComputes]
[Initialize]
[u_ic]
type = ParsedCompute
buffer = u
expression = 'sin(pi*(x+0.5))*sin(pi*(y+0.5))'
extra_symbols = true
[]
[lap_gold_ic]
type = ParsedCompute
buffer = lap_gold
#expression = '0'
expression = '-2*pi*pi*sin(pi*(x+0.5))*sin(pi*(y+0.5))'
extra_symbols = true
expand = REAL
[]
[]
[Solve]
[lap_compute]
type = FiniteDifferenceLaplacian
input = u
buffer = lap
[]
[diff]
type = ParsedCompute
buffer = diff
expression = 'abs(lap - lap_gold)'
inputs = 'lap lap_gold'
[]
[]
[]
[Postprocessors]
[max_error]
type = TensorExtremeValuePostprocessor
buffer = diff
value_type = MAX
[]
[]
[TensorOutputs]
active = ''
[lap]
type = XDMFTensorOutput
buffer = 'lap lap_gold diff'
enable_hdf5 = true
[]
[]
[Executioner]
type = Transient
num_steps = 1
[]
[Outputs]
[out]
type = CSV
[]
[]
(examples/degeus_mechanics/mech.i)
[Domain]
dim = 3
nx = 32
ny = 32
nz = 32
xmax = ${fparse 2*pi}
ymax = ${fparse 2*pi}
zmax = ${fparse 2*pi}
mesh_mode = DUMMY
[]
[TensorComputes]
[Initialize]
[Finit]
type = RankTwoIdentity
buffer = F
[]
[phase]
type = PhaseMechanicsTest
buffer = phase
[]
[K]
type = ParsedCompute
buffer = K
expression = '(1-phase)*Ka + phase*Kb'
inputs = phase
constant_names = 'Ka Kb'
constant_expressions = '0.833 8.33'
[]
[mu]
type = ParsedCompute
buffer = mu
expression = '(1-phase)*mua + phase*mub'
inputs = phase
constant_names = 'mua mub'
constant_expressions = '0.386 3.86'
[]
[]
[Solve]
[hyper_elasticity]
type = HyperElasticIsotropic
buffer = stress
F = Fnew
K = K
mu = mu
[]
[root]
[applied_strain]
type = MacroscopicShearTensor
buffer = applied_strain
[]
[mech]
type = FFTMechanics
buffer = Fnew
F = F
K = K
mu = mu
l_tol = 1e-2
nl_rel_tol = 2e-2
nl_abs_tol = 2e-2
constitutive_model = hyper_elasticity
stress = stress
applied_macroscopic_strain = applied_strain
[]
[]
[]
[Postprocess]
[displacements]
type = ComputeDisplacements
buffer = disp
F = F
[]
[vonmises]
type = ComputeVonMisesStress
buffer = sV
[]
[]
[]
[TensorSolver]
# no variables are integrated by this solver (FFTMechanics performs a steady state mechanics solve)
type = ForwardEulerSolver
root_compute = root
# deformation tensor is just forwarded Fnew -> F
forward_buffer = F
forward_buffer_new = Fnew
substeps = 10
[]
[TensorOutputs]
[deformation_tensor]
type = XDMFTensorOutput
buffer = 'disp sV F'
output_mode = 'OVERSIZED_NODAL CELL CELL'
enable_hdf5 = true
[]
[]
[Executioner]
type = Transient
num_steps = 100
dt = 0.01
[]
(examples/lbm/Phase-field/static_bubble.i)
#
# Static bubble test case
# PHYSICAL REVIEW E 97, 033309 (2018) - Section III.A
# Intended outcome is to have (spurious) velocity magnitude around 1.0e-10
#
# Domain
Nx = 200
Ny = 200
# Bubble parameters
Cx = '${Nx}/2.0'
Cy = '${Ny}/2.0'
R = 50
# Fluid properties
rho_l = 1000.0
rho_g = 1.0
nu_l = 0.1
nu_g = 0.1
sigma = 0.001
# Phase field parameters
tau_h = 0.7
D = 5
[Domain]
dim = 2
nx = '${Nx}'
ny = '${Ny}'
xmax = '${Nx}'
ymax = '${Ny}'
device_names='cpu'
parallel_mode = REAL_SPACE
periodic_directions = 'X Y'
[]
[Stencil]
[d2q9]
type = LBMD2Q9
[]
[]
[TensorBuffers]
# Macroscopic phase field variables
[phi]
type = LBMTensorBuffer
buffer_type = ms
[]
[grad_phi]
type = LBMTensorBuffer
buffer_type = mv
[]
[laplacian_phi]
type = LBMTensorBuffer
buffer_type = ms
[]
[mu]
type = LBMTensorBuffer
buffer_type = ms
[]
[forces]
type = LBMTensorBuffer
buffer_type = mv
[]
# Macroscopic hydrodynamic variables
[velocity]
type = LBMTensorBuffer
buffer_type = mv
[]
[pressure]
type = LBMTensorBuffer
buffer_type = ms
[]
[rho]
type = LBMTensorBuffer
buffer_type = ms
[]
# LBM phase field variabels
[h]
type = LBMTensorBuffer
buffer_type = df
[]
[h_post_collision]
type = LBMTensorBuffer
buffer_type = df
[]
[h_eq]
type = LBMTensorBuffer
buffer_type = df
[]
[relaxation_tensor]
type = LBMTensorBuffer
buffer_type = ms
[]
# LBM hydrodynamic variables
[fdummy]
type = LBMTensorBuffer
buffer_type = df
[]
[f]
type = LBMTensorBuffer
buffer_type = df
[]
[f_post_collision]
type = LBMTensorBuffer
buffer_type = df
[]
[f_eq]
type = LBMTensorBuffer
buffer_type = df
[]
[]
[TensorComputes/Initialize]
[phi_init]
type = ParsedCompute
buffer = phi
expression = '0.5 + 0.5 * tanh(2*(R - sqrt((x - Cx)^2 + (y - Cy)^2)) / D)'
constant_names = 'Cx Cy R D'
constant_expressions = '${Cx} ${Cy} ${R} ${D}'
extra_symbols = true
[]
[grad_phi_init]
type = LBMIsotropicGradient
buffer = grad_phi
scalar_field = phi
[]
[rho_init]
type = ParsedCompute
buffer = rho
extra_symbols = true
expression = 'phi*(rho_l - rho_g) + rho_g'
constant_names = 'rho_l rho_g'
constant_expressions = '${rho_l} ${rho_g}'
inputs = phi
[]
[pressure_init]
type = LBMConstantTensor
buffer = pressure
constants = 0.3
[]
# Phase field equilibrium distribution initialization
[h_eq_init]
type = LBMPhaseEquilibrium
buffer = h_eq
phi = phi
velocity = velocity
[]
[h_post_collision_init]
type = LBMPhaseEquilibrium
buffer = h_post_collision
phi = phi
velocity = velocity
[]
[h_init]
type = LBMPhaseEquilibrium
buffer = h
phi = phi
velocity = velocity
[]
# Hydrodynamic equilibrium distribution initialization
[f_eq_init]
type = LBMPressureCorrectedEquilibrium
buffer = f_eq
rho = rho
velocity = velocity
pressure = pressure
[]
[f_post_collision_init]
type = ParsedCompute
buffer = f_post_collision
expression = 'f_eq'
inputs = f_eq
[]
[f_init]
type = ParsedCompute
buffer = f
expression = 'f_eq'
inputs = f_eq
[]
[]
[TensorComputes/Solve]
# Phase Field
[compute_phi]
type = LBMComputeDensity
buffer = phi
f = h
[]
[grad_phi]
type = LBMIsotropicGradient
buffer = grad_phi
scalar_field = phi
[]
[laplacian_phi]
type = LBMIsotropicLaplacian
buffer = laplacian_phi
scalar_field = phi
[]
[potential]
type = LBMComputeChemicalPotential
buffer = mu
phi = phi
laplacian_phi = laplacian_phi
thickness = D
sigma = sigma
[]
[forces]
type = LBMComputeSurfaceForces
buffer = forces
chemical_potential = mu
grad_phi = grad_phi
[]
# Hydrodynamics
[density]
type = ParsedCompute
buffer = rho
extra_symbols = true
expression = 'phi*(rho_l - rho_g) + rho_g'
constant_names = 'rho_l rho_g'
constant_expressions = '${rho_l} ${rho_g}'
inputs = phi
[]
[velocity]
type = LBMComputeVelocity
buffer = velocity
f = f
rho = rho
enable_forces = true
forces = forces
[]
# Phase-field
[h_eq]
type = LBMPhaseEquilibrium
buffer = h_eq
phi = phi
velocity = velocity
[]
[phase_collision]
type = LBMBGKCollision
buffer = h_post_collision
f = h
feq = h_eq
tau0 = tau_h
[]
[apply_forces_phase]
type = LBMAllenCahnSource
buffer = h_post_collision
phi = phi
velocity = velocity
grad_phi = grad_phi
tau = tau_h
thickness = D
[]
# Hydrodynamics
[relaxation_tensor]
type = ParsedCompute
buffer = relaxation_tensor
extra_symbols = true
expression = '(phi*(nu_l - nu_g) + nu_g)/cs2+0.5'
constant_names = 'nu_l nu_g cs2'
constant_expressions = '${nu_l} ${nu_g} 0.3333'
inputs = phi
[]
[pressure]
type = LBMPhaseFieldPressure
buffer = pressure
f = f
velocity = velocity
grad_phi = grad_phi
rho = rho
rho_l = '${rho_l}'
rho_g = '${rho_g}'
[]
[f_eq]
type = LBMPressureCorrectedEquilibrium
buffer = f_eq
rho = rho
velocity = velocity
pressure = pressure
[]
[collision]
type = LBMBGKCollision
buffer = f_post_collision
f = f
feq = f_eq
tau0 = 1.0
is_dynamic_relaxation = true
tau_tensor = relaxation_tensor
[]
[apply_forces_hydro]
type = LBMForceDistribution
buffer = f_post_collision
grad_phi = grad_phi
velocity = velocity
forces = forces
tau_tensor = relaxation_tensor
tau = 1.0
rho_l = '${rho_l}'
rho_g = '${rho_g}'
is_dynamic_relaxation = true
[]
[residual]
type = LBMComputeResidual
buffer = phi
speed = phi
[]
[]
[TensorSolver]
type = LBMStream
buffer = 'h f'
f_old = 'h_post_collision f_post_collision'
root_compute = residual
[]
[Problem]
type = LatticeBoltzmannProblem
substeps = 50
print_debug_output = true
scalar_constant_names = 'tau_h D sigma'
scalar_constant_values = '${tau_h} ${D} ${sigma}'
[]
[Executioner]
type = Transient
num_steps = 100
[]
[TensorOutputs]
[xdmf]
type = XDMFTensorOutput
buffer = 'phi rho velocity forces'
output_mode = 'Cell Cell Cell Cell'
enable_hdf5 = true
# transpose = false
[]
[]
(test/tests/tensor_compute/parallel_roundtrip_3d.i)
[Domain]
# Test parallel FFT round-trip with slab decomposition in 3D
device_names = "cpu cpu cpu"
device_weights = "1 1 1"
dim = 3
nx = 64
ny = 64
nz = 64
xmax = ${fparse pi*4}
ymax = ${fparse pi*4}
zmax = ${fparse pi*4}
[]
[TensorBuffers]
[eta_gold]
[]
[eta]
[]
[eta_bar]
[]
[eta_roundtrip]
[]
[diff]
[]
[zero]
[]
[]
[TensorComputes]
[Initialize]
[eta_gold]
type = ParsedCompute
buffer = eta_gold
expression = 'sin(x)+sin(y)+sin(z)+cos(2*x)*sin(3*y)*cos(z)'
extra_symbols = true
[]
[eta]
type = ParsedCompute
buffer = eta
expression = eta_gold
inputs = eta_gold
[]
[zero]
type = ConstantReciprocalTensor
buffer = zero
real = 0
imaginary = 0
[]
[]
[Solve]
# Test: eta -> FFT -> iFFT -> eta_roundtrip
# eta_roundtrip should equal eta (within numerical precision)
[eta_bar]
type = ForwardFFT
buffer = eta_bar
input = eta
[]
[eta_roundtrip]
type = InverseFFT
buffer = eta_roundtrip
input = eta_bar
[]
[]
[Postprocess]
[diff]
type = ParsedCompute
buffer = diff
expression = 'abs(eta - eta_roundtrip) + abs(eta - eta_gold)'
inputs = 'eta eta_roundtrip eta_gold'
[]
[]
[]
[Postprocessors]
[max_error]
type = TensorExtremeValuePostprocessor
buffer = diff
value_type = MAX
[]
[l2_error]
type = TensorIntegralPostprocessor
buffer = diff
[]
[]
[TensorSolver]
type = AdamsBashforthMoulton
buffer = eta
reciprocal_buffer = eta_bar
linear_reciprocal = zero
nonlinear_reciprocal = zero
[]
[TensorOutputs]
[eta]
type = XDMFTensorOutput
buffer = 'eta'
output_mode = 'CELL'
enable_hdf5 = true
[]
[]
[Problem]
type = TensorProblem
[]
[Executioner]
type = Transient
num_steps = 1
[]
[Outputs]
csv = true
execute_on = 'INITIAL TIMESTEP_END'
[]
(benchmarks/02_oswald_ripening/2a_secant.i)
[Domain]
dim = 2
nx = 120
ny = 120
xmax = 200
ymax = 200
device_names = 'cuda:1'
mesh_mode = DOMAIN
[]
fchem='fa:=rho^2*(c-ca)^2;
fb:=rho^2*(cb-c)^2;
h:=n1^3*(6*n1^2-15*n1+10) +
n2^3*(6*n2^2-15*n2+10) +
n3^3*(6*n3^2-15*n3+10) +
n4^3*(6*n4^2-15*n4+10);
g:=n1^2*(1-n1)^2 +
n2^2*(1-n2)^2 +
n3^2*(1-n3)^2 +
n4^2*(1-n4)^2 +
alpha*(
n1^2*n2^2 + n1^2*n3^2 + n1^2*n4^2 +
n2^2*n1^2 + n2^2*n3^2 + n2^2*n4^2 +
n3^2*n1^2 + n3^2*n2^2 + n3^2*n4^2 +
n4^2*n1^2 + n4^2*n2^2 + n4^2*n3^2);
(fa*(1-h) + fb*h + w*g)'
nic = 'epsilon*(cos((0.01*idx)*x-4)*cos((0.007+0.01*idx)*y)
+cos((0.11+0.01*idx)*x)*cos((0.11+0.01*idx)*y)
+psi*(cos((0.046+0.001*idx)*x+(0.0405+0.001*idx)*y)
*cos((0.031+0.001*idx)*x-(0.004+0.001*idx)*y))^2)^2'
cnames = 'rho ca cb alpha w L M'
cvalues= 'sqrt(2) 0.3 0.7 5 1 5 5'
[TensorBuffers]
# variables
[c]
[]
[n1]
[]
[n2]
[]
[n3]
[]
[n4]
[]
[c_bar]
[]
[n1_bar]
[]
[n2_bar]
[]
[n3_bar]
[]
[n4_bar]
[]
[mu_c]
[]
[mu_n1]
[]
[mu_n2]
[]
[mu_n3]
[]
[mu_n4]
[]
[mu_c_bar]
[]
[mu_n1_bar]
[]
[mu_n2_bar]
[]
[mu_n3_bar]
[]
[mu_n4_bar]
[]
[Mbar_mu_c_bar]
[]
# constant tensors
[Lbar] # FFT(M*laplacian)
[]
[MkappaL2bar] # FFT(-M*kappa*laplacian^2)
[]
[kappaLbar] # FFT(L*kappa*laplacian)
[]
# postprocessing
[F]
[]
[Fgrad_c]
[]
[Fgrad_n1]
[]
[Fgrad_n2]
[]
[Fgrad_n3]
[]
[Fgrad_n4]
[]
[bnds]
[]
[]
[TensorComputes]
[Initialize]
[c]
type = ParsedCompute
buffer = c
extra_symbols = true
expression = 'c0+epsilon*(cos(0.105*x)*cos(0.11*y)+(cos(0.13*x)*cos(0.087*y))^2+cos(0.025*x-0.15*y)*cos(0.07*x-0.02*y))'
constant_names = 'c0 epsilon'
constant_expressions = '0.5 0.01'
[]
[Lbar]
type = ReciprocalLaplacianFactor
# Mobility is pulled into the chemical potential below
buffer = Lbar
[]
[MkappaL2bar]
type = ReciprocalLaplacianSquareFactor
factor = -15 # -kappa_c*M
buffer = MkappaL2bar
[]
[kappaLbar]
type = ReciprocalLaplacianFactor
buffer = kappaLbar
factor = 15 # kappa_ni*L
[]
[n1]
type = ParsedCompute
buffer = n1
expression = ${nic}
extra_symbols = true
constant_names = 'idx epsilon psi'
constant_expressions = ' 1 0.1 1.5'
[]
[n2]
type = ParsedCompute
buffer = n2
expression = ${nic}
extra_symbols = true
constant_names = 'idx epsilon psi'
constant_expressions = ' 2 0.1 1.5'
[]
[n3]
type = ParsedCompute
buffer = n3
expression = ${nic}
extra_symbols = true
constant_names = 'idx epsilon psi'
constant_expressions = ' 3 0.1 1.5'
[]
[n4]
type = ParsedCompute
buffer = n4
expression = ${nic}
extra_symbols = true
constant_names = 'idx epsilon psi'
constant_expressions = ' 4 0.1 1.5'
[]
[]
[Solve]
[mu_c]
type = ParsedCompute
buffer = mu_c
expression = '${fchem}*M'
constant_names = ${cnames}
constant_expressions = ${cvalues}
derivatives = c
inputs = 'c n1 n2 n3 n4'
[]
[mu_n1]
type = ParsedCompute
buffer = mu_n1
expression = '${fchem}*(-L)'
constant_names = ${cnames}
constant_expressions = ${cvalues}
derivatives = n1
inputs = 'c n1 n2 n3 n4'
[]
[mu_n2]
type = ParsedCompute
buffer = mu_n2
expression = '${fchem}*(-L)'
constant_names = ${cnames}
constant_expressions = ${cvalues}
derivatives = n2
inputs = 'c n1 n2 n3 n4'
[]
[mu_n3]
type = ParsedCompute
buffer = mu_n3
expression = '${fchem}*(-L)'
constant_names = ${cnames}
constant_expressions = ${cvalues}
derivatives = n3
inputs = 'c n1 n2 n3 n4'
[]
[mu_n4]
type = ParsedCompute
buffer = mu_n4
expression = '${fchem}*(-L)'
constant_names = ${cnames}
constant_expressions = ${cvalues}
derivatives = n4
inputs = 'c n1 n2 n3 n4'
[]
[mu_c_bar]
type = ForwardFFT
buffer = mu_c_bar
input = mu_c
[]
[mu_n1_bar]
type = ForwardFFT
buffer = mu_n1_bar
input = mu_n1
[]
[mu_n2_bar]
type = ForwardFFT
buffer = mu_n2_bar
input = mu_n2
[]
[mu_n3_bar]
type = ForwardFFT
buffer = mu_n3_bar
input = mu_n3
[]
[mu_n4_bar]
type = ForwardFFT
buffer = mu_n4_bar
input = mu_n4
[]
[Mbar_mu_c_bar]
type = ParsedCompute
buffer = Mbar_mu_c_bar
expression = 'Lbar*mu_c_bar'
inputs = 'Lbar mu_c_bar'
[]
[c_bar]
type = ForwardFFT
buffer = c_bar
input = c
[]
[n1_bar]
type = ForwardFFT
buffer = n1_bar
input = n1
[]
[n2_bar]
type = ForwardFFT
buffer = n2_bar
input = n2
[]
[n3_bar]
type = ForwardFFT
buffer = n3_bar
input = n3
[]
[n4_bar]
type = ForwardFFT
buffer = n4_bar
input = n4
[]
[]
[Postprocess]
[Fgrad_c]
type = FFTGradientSquare
buffer = Fgrad_c
input = c
factor = 1.5 # kappa/2
[]
[Fgrad_n1]
type = FFTGradientSquare
buffer = Fgrad_n1
input = n1
factor = 1.5 # kappa/2
[]
[Fgrad_n2]
type = FFTGradientSquare
buffer = Fgrad_n2
input = n2
factor = 1.5 # kappa/2
[]
[Fgrad_n3]
type = FFTGradientSquare
buffer = Fgrad_n3
input = n3
factor = 1.5 # kappa/2
[]
[Fgrad_n4]
type = FFTGradientSquare
buffer = Fgrad_n4
input = n4
factor = 1.5 # kappa/2
[]
[F]
type = ParsedCompute
buffer = F
expression = '${fchem} + Fgrad_c + Fgrad_n1 + Fgrad_n2 + Fgrad_n3 + Fgrad_n4'
constant_names = ${cnames}
constant_expressions = ${cvalues}
inputs = 'c n1 n2 n3 n4 Fgrad_c Fgrad_n1 Fgrad_n2 Fgrad_n3 Fgrad_n4'
[]
[bnds]
type = ParsedCompute
buffer = bnds
expression = 'n1^2 + n2^2 + n3^2 + n4^2'
inputs = 'n1 n2 n3 n4'
[]
[]
[]
[TensorSolver]
type = SecantSolver
substeps = 1
max_iterations = 1000
# damping = 0.75
relative_tolerance = 1e-6
absolute_tolerance = 1e-6
buffer = 'c n1 n2 n3 n4'
dt_epsilon = 1e-7
reciprocal_buffer = 'c_bar n1_bar n2_bar n3_bar n4_bar'
linear_reciprocal = 'MkappaL2bar kappaLbar kappaLbar kappaLbar kappaLbar'
nonlinear_reciprocal = 'Mbar_mu_c_bar mu_n1_bar mu_n2_bar mu_n3_bar mu_n4_bar'
# verbose = true
[]
[Postprocessors]
[min_c]
type = TensorExtremeValuePostprocessor
buffer = c
value_type = MIN
execute_on = 'TIMESTEP_END'
[]
[max_c]
type = TensorExtremeValuePostprocessor
buffer = c
value_type = MAX
execute_on = 'TIMESTEP_END'
[]
[F]
type = TensorIntegralPostprocessor
buffer = F
[]
[]
[Problem]
type = TensorProblem
[]
[Executioner]
type = Transient
# num_steps = 2
end_time = 1e+5
[TimeStepper]
type = TensorSolveIterationAdaptiveDT
dt = 0.1
max_iterations = 500
min_iterations = 300
growth_factor = 1.1
cutback_factor = 0.9
[]
[]
[Outputs]
csv = true
perf_graph = true
execute_on = 'TIMESTEP_END'
[]
[TensorOutputs]
[c]
type = XDMFTensorOutput
buffer = 'c bnds'
output_mode = 'NODE NODE'
enable_hdf5 = true
[]
[]
(examples/cahn_hilliard/cahnhilliard2.i)
#
# The same simple Cahn-Hilliard solve as cahnhilliard.i, but on a 3D grid
# and using the faster TensorOutputs system.
#
[Domain]
dim = 3
nx = 200
ny = 200
nz = 200
xmax = ${fparse pi*8}
ymax = ${fparse pi*8}
zmax = ${fparse pi*8}
# run on a CUDA device (adjust this to `cpu` if not available)
device_names = 'cuda'
# create a single element dummy mesh. Output will use the custom XDMF output
# in the `TensorOutputs` system.
mesh_mode = DUMMY
[]
[TensorBuffers]
[c]
[]
[cbar]
[]
[mu]
[]
[mubar]
[]
[Mbarmubar]
[]
# constant tensors
[Mbar]
[]
[kappabarbar]
[]
[]
[TensorOutputs]
# the TensorOutouts system supports asynchronous threaded output.
# for GOU calculations a copy of the solution fields is moved to the CPU,
# and while the output files are written the next time step is already
# starting to compute.
[xdmf]
type = XDMFTensorOutput
buffer = 'c mu'
enable_hdf5 = true
[]
[]
[TensorComputes]
[Initialize]
[c]
type = RandomTensor
buffer = c
min = 0.44
max = 0.56
[]
[Mbar]
type = ReciprocalLaplacianFactor
factor = 0.2 # Mobility
buffer = Mbar
[]
[kappabarbar]
type = ReciprocalLaplacianSquareFactor
factor = -0.001 # kappa
buffer = kappabarbar
[]
[]
[Solve]
[mu]
type = ParsedCompute
buffer = mu
expression = '0.1*c^2*(c-1)^2'
derivatives = c
inputs = c
[]
[mubar]
type = ForwardFFT
buffer = mubar
input = mu
[]
[Mbarmubar]
type = ParsedCompute
buffer = Mbarmubar
expression = 'Mbar*mubar'
inputs = 'Mbar mubar'
[]
[cbar]
type = ForwardFFT
buffer = cbar
input = c
[]
[]
[]
[TensorSolver]
type = AdamsBashforthMoulton
buffer = c
reciprocal_buffer = cbar
linear_reciprocal = kappabarbar
nonlinear_reciprocal = Mbarmubar
substeps = 1000
[]
[Postprocessors]
[min_c]
type = TensorExtremeValuePostprocessor
buffer = c
value_type = MIN
execute_on = 'TIMESTEP_END'
[]
[max_c]
type = TensorExtremeValuePostprocessor
buffer = c
value_type = MAX
execute_on = 'TIMESTEP_END'
[]
[C]
type = TensorIntegralPostprocessor
buffer = c
execute_on = 'TIMESTEP_END'
[]
[cavg]
type = TensorAveragePostprocessor
buffer = c
execute_on = 'TIMESTEP_END'
[]
[]
[Problem]
type = TensorProblem
[]
[Executioner]
type = Transient
num_steps = 100
[TimeStepper]
type = IterationAdaptiveDT
growth_factor = 1.8
dt = 0.1
[]
dtmax = 1000
[]
[Outputs]
csv = true
perf_graph = true
execute_on = 'TIMESTEP_END'
[]
(test/tests/tensor_compute/group.i)
[Domain]
dim = 3
nx = 128
ny = 128
nz = 128
xmax = ${fparse pi*4}
ymax = ${fparse pi*4}
zmax = ${fparse pi*4}
mesh_mode = DUMMY
[]
[TensorBuffers]
# phase field
[c]
[]
[cbar]
[]
[mu]
[]
[mubar]
[]
[Mbarmubar]
[]
# mechanics
[disp_x]
[]
[disp_y]
[]
[disp_z]
[]
[mumechbar]
[]
[mumech]
[]
# constant tensors
[Mbar]
[]
[kappabarbar]
[]
[]
[TensorOutputs]
[xdmf]
type = XDMFTensorOutput
buffer = 'c disp_x disp_y disp_z mu mumech'
output_mode = 'Node Node Node Node Cell Cell'
enable_hdf5 = true
[]
[]
[TensorComputes]
[Initialize]
[c]
type = RandomTensor
buffer = c
min = 0.44
max = 0.56
[]
[disp_x]
type = RandomTensor
buffer = disp_x
min = 0
max = 0
[]
[disp_y]
type = RandomTensor
buffer = disp_y
min = 0
max = 0
[]
[disp_z]
type = RandomTensor
buffer = disp_z
min = 0
max = 0
[]
[Mbar]
type = ReciprocalLaplacianFactor
factor = 0.2 # Mobility
buffer = Mbar
[]
[kappabarbar]
type = ReciprocalLaplacianSquareFactor
factor = -0.001 # kappa
buffer = kappabarbar
[]
[]
[Solve]
[mu]
# chemical potential (real space)
type = ParsedCompute
buffer = mu
expression = '0.1*c^2*(c-1)^2' # + c*sin(x/2)*0.005'
extra_symbols = true
derivatives = c
inputs = c
[]
[mubar]
# chemical potential (reciprocal space)
type = ForwardFFT
buffer = mubar
input = mu
[]
[mumechbar]
# mechanical chemical potential (reciprocal space)
type = FFTElasticChemicalPotential
buffer = mumechbar
cbar = cbar
displacements = 'disp_x disp_y disp_z'
lambda = 100
mu = 50
e0 = 0.02
[]
[mumech]
# chemical potential (reciprocal space)
type = InverseFFT
buffer = mumech
input = mumechbar
[]
[Mbarmubar]
type = ParsedCompute
buffer = Mbarmubar
expression = 'Mbar*(mubar+mumechbar)'
inputs = 'Mbar mubar mumechbar'
[]
[cbar]
type = ForwardFFT
buffer = cbar
input = c
[]
[qsmech]
type = FFTQuasistaticElasticity
displacements = 'disp_x disp_y disp_z'
cbar = cbar
lambda = 100
mu = 50
e0 = 0.02
[]
[group]
type = ComputeGroup
computes = 'cbar mumech mu mubar'
[]
[]
[]
[TensorSolver]
type = AdamsBashforthMoulton
buffer = c
reciprocal_buffer = cbar
linear_reciprocal = kappabarbar
nonlinear_reciprocal = Mbarmubar
[]
[Postprocessors]
[min_c]
type = TensorExtremeValuePostprocessor
buffer = c
value_type = MIN
execute_on = 'TIMESTEP_END'
[]
[max_c]
type = TensorExtremeValuePostprocessor
buffer = c
value_type = MAX
execute_on = 'TIMESTEP_END'
[]
[min_disp_x]
type = TensorExtremeValuePostprocessor
buffer = disp_x
value_type = MIN
execute_on = 'TIMESTEP_END'
[]
[max_disp_x]
type = TensorExtremeValuePostprocessor
buffer = disp_x
value_type = MAX
execute_on = 'TIMESTEP_END'
[]
[min_disp_y]
type = TensorExtremeValuePostprocessor
buffer = disp_y
value_type = MIN
execute_on = 'TIMESTEP_END'
[]
[max_disp_y]
type = TensorExtremeValuePostprocessor
buffer = disp_y
value_type = MAX
execute_on = 'TIMESTEP_END'
[]
[min_disp_z]
type = TensorExtremeValuePostprocessor
buffer = disp_z
value_type = MIN
execute_on = 'TIMESTEP_END'
[]
[max_disp_z]
type = TensorExtremeValuePostprocessor
buffer = disp_z
value_type = MAX
execute_on = 'TIMESTEP_END'
[]
[C]
type = TensorIntegralPostprocessor
buffer = c
execute_on = 'TIMESTEP_END'
[]
[cavg]
type = TensorAveragePostprocessor
buffer = c
execute_on = 'TIMESTEP_END'
[]
[]
[Problem]
type = TensorProblem
spectral_solve_substeps = 1000
print_debug_output = true
[]
[Executioner]
type = Transient
num_steps = 100
[TimeStepper]
type = IterationAdaptiveDT
growth_factor = 1.8
dt = 0.1
[]
dtmax = 1000
[]
[Outputs]
csv = true
perf_graph = true
execute_on = 'TIMESTEP_END'
[]
(examples/lbm/Formula1-aerodynamics/f1.i)
[Domain]
dim = 3
nx = 781
ny = 274
nz = 146
xmax = 781
ymax = 274
zmax = 146
device_names='cuda'
floating_precision = 'single'
parallel_mode = REAL_SPACE
periodic_directions = 'X Y Z'
[]
[Stencil]
[descriptor]
type = LBMD3Q27
[]
[]
[TensorBuffers]
[binary_media]
type = LBMTensorBuffer
buffer_type = ms
file = 'binary_media.h5'
is_integer = true
[]
[f]
type = LBMTensorBuffer
buffer_type = df
[]
[feq]
type = LBMTensorBuffer
buffer_type = df
[]
[fpc]
type = LBMTensorBuffer
buffer_type = df
[]
[u]
type = LBMTensorBuffer
buffer_type = mv
[]
[speed]
type=LBMTensorBuffer
buffer_type = ms
[]
[rho]
type = LBMTensorBuffer
buffer_type = ms
[]
[force]
type = LBMTensorBuffer
buffer_type = mv
[]
[]
[TensorComputes]
[Initialize]
[density_initial]
type = LBMConstantTensor
buffer = rho
constants = 1.0
[]
[velocity_initial]
type = LBMConstantTensor
buffer = u
constants = '0 0 0'
[]
[equilibrium_init]
type = LBMEquilibrium
buffer = feq
bulk = rho
velocity = u
[]
[equilibrium_f]
type = LBMEquilibrium
buffer = f
bulk = rho
velocity = u
[]
[equilibrium_pc]
type = LBMEquilibrium
buffer = fpc
bulk = rho
velocity = u
[]
[]
[Solve]
[density]
type = LBMComputeDensity
buffer = rho
f = f
[]
[velocity]
type = LBMComputeVelocity
buffer = u
f = f
rho = rho
[]
[equilibrium]
type = LBMEquilibrium
buffer = feq
bulk = rho
velocity = u
[]
[collision]
type = LBMSmagorinskyCollision
buffer = fpc
f = f
feq = feq
tau0 = 0.5001
Cs = 0.15
projection=true
[]
[speed]
type=LBMComputeVelocityMagnitude
buffer=speed
velocity=u
[]
[residual]
type = LBMComputeResidual
buffer = speed
speed = speed
[]
[]
[Boundary]
[wall]
type = LBMBounceBack
buffer = f
f_old = fpc
boundary = wall
[]
[left]
type = LBMFixedFirstOrderBC
buffer=f
f=f
value=0.01
boundary=left
# perturb=true
[]
[right]
type = LBMMicroscopicZeroGradientBC
buffer=f
boundary = right
[]
[]
[]
[TensorSolver]
type = LBMStream
root_compute = residual
buffer = f
f_old = fpc
[]
[Postprocessors]
[reynolds]
type = ComputeReynoldsNumber
buffer = speed
tau = 0.5001
diameter = 781
[]
[]
[Problem]
type = LatticeBoltzmannProblem
substeps = 100
print_debug_output = true
binary_media = binary_media
[]
[Executioner]
type = Transient
num_steps = 2000
[]
[TensorOutputs]
[xdmf2]
type = XDMFTensorOutput
buffer = 'rho u'
output_mode = 'Cell Cell'
enable_hdf5 = true
[]
[]
(test/tests/kks/KKS_libtorch.i)
#
# Kim-Kim-Suzuki with Gibbs energy supplied by a torch model, solved on a 2D grid.
#
# Constants for Initial Conditions
r = 30
l = 4.2
# Initial condition function for order parameter
eta_IC = '0.5*(1-tanh(2*(sqrt(x^2+y^2)-${r})/${l}))'
# Phase-field model parameters
kappa_eta = 5
w = 1
M = 5
L = 5
# Expressions for switching function and bulk Gibbs energy
h_eta = 'eta^3*(6*eta^2-15*eta+10)'
[Domain]
dim = 2
nx = 50
ny = 50
xmin = -50
xmax = 50
ymin = -50
ymax = 50
# automatically create a matching mesh
mesh_mode = DUMMY
[]
[TensorComputes]
[Initialize]
[c_IC]
type = ParsedCompute
buffer = c
expression = '0.7 + (0.3-0.6)*${eta_IC}'
extra_symbols = 'true'
[]
[eta_IC]
type = ParsedCompute
buffer = eta
expression = '${eta_IC}'
extra_symbols = 'true'
[]
[psi_init]
type = ConstantTensor
buffer = psi
real = 1
[]
[M]
type = ConstantTensor
buffer = M
real = ${M}
[]
[L]
type = ConstantTensor
buffer = L
real = ${L}
[]
[L_kappa]
type = ReciprocalLaplacianFactor
buffer = L_kappa
factor = ${fparse ${L} * ${kappa_eta} }
[]
[h_eta_IC]
type = ParsedCompute
buffer = h_eta
expression = '${h_eta}'
inputs = eta
[]
[G_func_IC]
type = LibtorchGibbsEnergy
buffer = 'G'
phase_fractions = 'h_eta'
concentrations = 'c'
domega_detas = 'dG_dh'
chem_pots = 'mu'
libtorch_model_file = 'marlin:libtorch_gibbs_energy/torch_NN_gibbs_model.pt'
[]
[]
[Solve]
[h_eta]
type = ParsedCompute
buffer = h_eta
expression = '${h_eta}'
inputs = eta
[]
[G_func]
type = LibtorchGibbsEnergy
buffer = 'G'
phase_fractions = 'h_eta'
concentrations = 'c'
domega_detas = 'dG_dh'
chem_pots = 'mu'
libtorch_model_file = 'marlin:libtorch_gibbs_energy/torch_NN_gibbs_model.pt'
[]
[dG_deta]
type = ParsedCompute
buffer = 'dG_deta'
inputs = 'eta dG_dh'
expression = 'dG_dh * ${h_eta} + ${w} * eta^2 * (1-eta^2)^2'
derivatives = 'eta'
[]
[etabar]
type = ForwardFFT
buffer = etabar
input = eta
[]
[AC_bulk]
type = ReciprocalAllenCahn
L = L
buffer = AC_bulk
dF_chem_deta = dG_deta
psi = psi
[]
[NL_eta]
type = ParsedCompute
buffer = NL_eta
expression = 'AC_bulk '
inputs = 'AC_bulk'
[]
[cbar]
type = ForwardFFT
buffer = cbar
input = c
[]
[div_J]
type = ReciprocalMatDiffusion
buffer = 'div_J'
chemical_potential = mu
mobility = M
psi = psi
[]
[]
[]
[TensorSolver]
type = AdamsBashforthMoulton
buffer = 'c eta'
reciprocal_buffer = 'cbar etabar'
linear_reciprocal = '0 L_kappa'
nonlinear_reciprocal = 'div_J NL_eta'
substeps = 1e3
predictor_order = 3
[]
[TensorOutputs]
[xdmf]
type = XDMFTensorOutput
buffer = 'eta c mu psi dG_deta dG_dh G'
enable_hdf5 = true
transpose = false
[]
[]
[Executioner]
type = Transient
dt = 0.1
num_steps = 10
[]
[Outputs]
csv = true
perf_graph = true
execute_on = 'INITIAL TIMESTEP_END'
[]
(examples/lbm/Rayleigh-Benard/rayleigh-benard.i)
Nx = 400
Ny = 200
TH = 1.1
TC = 1.0
frequency = '${Nx}/10.0'
amplitude = '${Ny}/100.0'
[Domain]
dim = 2
nx = '${Nx}'
ny = '${Ny}'
xmax = '${Nx}'
ymax = '${Ny}'
device_names='cpu'
mesh_mode=DUMMY
parallel_mode = REAL_SPACE
periodic_directions = 'X Y'
[]
[Stencil]
[d2q9]
type = LBMD2Q9
[]
[]
!include buffers.i
[TensorComputes]
#### Initialzie ####
[Initialize]
[density]
type = LBMConstantTensor
buffer = density
constants = 'rho0'
[]
[velocity]
type = LBMConstantTensor
buffer = velocity
constants = '0.0 0.0'
[]
[temperature]
type = ParsedCompute
buffer = T
expression = 'a:=abs(y - sin(x / (${frequency} * pi)) * ${amplitude}) + y - sin(x / (${frequency} * pi)) * ${amplitude};
b:= a / (a + 1.0e-14);
${TC} * b - b *${TH} + ${TH}'
extra_symbols = true
[]
[equilibrium_fluid]
type = LBMEquilibrium
buffer = feq
bulk = density
velocity = velocity
[]
[equilibrium_fluid_total]
type = LBMEquilibrium
buffer = f
bulk = density
velocity = velocity
[]
[equilibrium_fluid_pc]
type = LBMEquilibrium
buffer = fpc
bulk = density
velocity = velocity
[]
[equilibrium_temperature]
type = LBMEquilibrium
buffer = geq
bulk = T
velocity = velocity
[]
[equilibrium_temperature_total]
type = LBMEquilibrium
buffer = g
bulk = T
velocity = velocity
[]
[equilibrium_temperature_pc]
type = LBMEquilibrium
buffer = gpc
bulk = T
velocity = velocity
[]
[]
!include solve.i
!include boundary.i
[]
[TensorSolver]
type = LBMStream
buffer = 'f g'
f_old = 'fpc gpc'
root_compute = Residual
[]
[TensorOutputs]
[xdmf]
type = XDMFTensorOutput
buffer = 'T velocity density'
output_mode = 'Cell Cell Cell'
enable_hdf5 = true
[]
[]
[Problem]
type = LatticeBoltzmannProblem
scalar_constant_names = 'rho0 T_0 T_C T_H tau_f tau_T g'
scalar_constant_values = '1.0 1.05 1.0 1.1 0.7 0.7 0.0001'
substeps = 100
print_debug_output = true
[]
[Executioner]
type = Transient
num_steps = 10000
[]
(examples/lbm/Phase-field/layered_poiseuille.i)
#
# Layered Poiseuille Flow
# PHYSICAL REVIEW E 97, 033309 (2018) - Section III.B
#
# Domain
Nx = 10
Ny = 400
# Fluid properties
rho_l = 1000.0
rho_g = 1.0
# nu_l = 0.1
# nu_g = 1.0
sigma = 0.001
mu_l = 100.0 # rho_l * nu_l
mu_g = 1.0 # rho_g * nu_g
# Phase field parameters
# M = 0.1
# cs2 = 0.333333333333
tau_h = 0.8 # 0.5 + '${M}' / '${cs2}'
D = 5
# Driving force: Gx = uc * (mu_l + mu_g) / h^2
# uc = 1e-4
# h = # '${Ny} / 2'
Gx = 2.53e-07 # '${uc} * (${mu_l} + ${mu_g}) / (${h}^2)'
[Domain]
dim = 2
nx = '${Nx}'
ny = '${Ny}'
xmax = '${Nx}'
ymax = '${Ny}'
device_names = 'cpu'
parallel_mode = REAL_SPACE
periodic_directions = 'X Y'
[]
[Stencil]
[d2q9]
type = LBMD2Q9
[]
[]
[TensorBuffers]
# Macroscopic phase field variables
[phi]
type = LBMTensorBuffer
buffer_type = ms
file = phi_init.h5
[]
[grad_phi]
type = LBMTensorBuffer
buffer_type = mv
[]
[laplacian_phi]
type = LBMTensorBuffer
buffer_type = ms
[]
[mu]
type = LBMTensorBuffer
buffer_type = ms
[]
[forces]
type = LBMTensorBuffer
buffer_type = mv
[]
[body_force]
type = LBMTensorBuffer
buffer_type = mv
[]
# Macroscopic hydrodynamic variables
[velocity]
type = LBMTensorBuffer
buffer_type = mv
[]
[speed]
type = LBMTensorBuffer
buffer_type = ms
[]
[pressure]
type = LBMTensorBuffer
buffer_type = ms
[]
[rho]
type = LBMTensorBuffer
buffer_type = ms
[]
# LBM phase field variables
[h]
type = LBMTensorBuffer
buffer_type = df
[]
[h_post_collision]
type = LBMTensorBuffer
buffer_type = df
[]
[h_eq]
type = LBMTensorBuffer
buffer_type = df
[]
[relaxation_tensor]
type = LBMTensorBuffer
buffer_type = ms
[]
# LBM hydrodynamic variables
[f]
type = LBMTensorBuffer
buffer_type = df
[]
[f_post_collision]
type = LBMTensorBuffer
buffer_type = df
[]
[f_eq]
type = LBMTensorBuffer
buffer_type = df
[]
[]
[TensorComputes/Initialize]
[grad_phi_init]
type = LBMIsotropicGradient
buffer = grad_phi
scalar_field = phi
[]
[rho_init]
type = ParsedCompute
buffer = rho
expression = 'phi * (rho_l - rho_g) + rho_g'
constant_names = 'rho_l rho_g'
constant_expressions = '${rho_l} ${rho_g}'
inputs = phi
[]
[pressure_init]
type = LBMConstantTensor
buffer = pressure
constants = 0.3
[]
[body_force_init]
type = LBMConstantTensor
buffer = body_force
constants = '${Gx} 0.00'
[]
# Phase field equilibrium distribution initialization
[h_eq_init]
type = LBMPhaseEquilibrium
buffer = h_eq
phi = phi
velocity = velocity
[]
[h_post_collision_init]
type = LBMPhaseEquilibrium
buffer = h_post_collision
phi = phi
velocity = velocity
[]
[h_init]
type = LBMPhaseEquilibrium
buffer = h
phi = phi
velocity = velocity
[]
# Hydrodynamic equilibrium distribution initialization
[f_eq_init]
type = LBMPressureCorrectedEquilibrium
buffer = f_eq
rho = rho
velocity = velocity
pressure = pressure
[]
[f_post_collision_init]
type = ParsedCompute
buffer = f_post_collision
expression = 'f_eq'
inputs = f_eq
[]
[f_init]
type = ParsedCompute
buffer = f
expression = 'f_eq'
inputs = f_eq
[]
[]
[TensorComputes/Solve]
# Phase Field
[compute_phi]
type = LBMComputeDensity
buffer = phi
f = h
[]
[grad_phi]
type = LBMIsotropicGradient
buffer = grad_phi
scalar_field = phi
[]
[laplacian_phi]
type = LBMIsotropicLaplacian
buffer = laplacian_phi
scalar_field = phi
[]
[potential]
type = LBMComputeChemicalPotential
buffer = mu
phi = phi
laplacian_phi = laplacian_phi
thickness = D
sigma = sigma
[]
[compute_forces]
type = LBMComputeSurfaceForces
buffer = forces
chemical_potential = mu
grad_phi = grad_phi
[]
[add_body_force]
type = ParsedCompute
buffer = forces
expression = 'forces + body_force'
inputs = 'forces body_force'
[]
# Hydrodynamics
[density]
type = ParsedCompute
buffer = rho
expression = 'phi * (rho_l - rho_g) + rho_g'
constant_names = 'rho_l rho_g'
constant_expressions = '${rho_l} ${rho_g}'
inputs = phi
[]
[velocity]
type = LBMComputeVelocity
buffer = velocity
f = f
rho = rho
enable_forces = true
forces = forces
# add_body_force = true
# body_force_x = '${Gx}'
[]
# Phase-field
[h_eq]
type = LBMPhaseEquilibrium
buffer = h_eq
phi = phi
velocity = velocity
[]
[phase_collision]
type = LBMBGKCollision
buffer = h_post_collision
f = h
feq = h_eq
tau0 = tau_h
[]
[apply_forces_phase]
type = LBMAllenCahnSource
buffer = h_post_collision
phi = phi
velocity = velocity
grad_phi = grad_phi
tau = tau_h
thickness = D
[]
# Hydrodynamics
[relaxation_tensor]
type = ParsedCompute
buffer = relaxation_tensor
# Implements Eq 26: Sharp step-function for dynamic viscosity
expression = '(if(phi >= 0.5, mu_l, mu_g) / rho) / cs2 + 0.5'
constant_names = 'mu_l mu_g cs2'
constant_expressions = '${mu_l} ${mu_g} 0.333333333333'
inputs = 'phi rho'
[]
[pressure]
type = LBMPhaseFieldPressure
buffer = pressure
f = f
velocity = velocity
grad_phi = grad_phi
rho = rho
rho_l = '${rho_l}'
rho_g = '${rho_g}'
[]
[f_eq]
type = LBMPressureCorrectedEquilibrium
buffer = f_eq
rho = rho
velocity = velocity
pressure = pressure
[]
[collision]
type = LBMBGKCollision
buffer = f_post_collision
f = f
feq = f_eq
tau0 = 1.0
is_dynamic_relaxation = true
tau_tensor = relaxation_tensor
[]
[apply_forces_hydro]
type = LBMForceDistribution
buffer = f_post_collision
grad_phi = grad_phi
velocity = velocity
forces = forces
tau_tensor = relaxation_tensor
tau = 1.0
rho_l = '${rho_l}'
rho_g = '${rho_g}'
is_dynamic_relaxation = true
[]
[speed]
type = LBMComputeVelocityMagnitude
buffer = speed
velocity = velocity
[]
[residual]
type = LBMComputeResidual
buffer = speed
speed = speed
[]
[]
[TensorComputes/Boundary]
[top_fluid]
type = LBMBounceBack
buffer = f
f_old = f_post_collision
boundary = top
[]
[bottom_fluid]
type = LBMBounceBack
buffer = f
f_old = f_post_collision
boundary = bottom
[]
[top_phase]
type = LBMBounceBack
buffer = h
f_old = h_post_collision
boundary = top
[]
[bottom_phase]
type = LBMBounceBack
buffer = h
f_old = h_post_collision
boundary = bottom
[]
[]
[TensorSolver]
type = LBMStream
buffer = 'h f'
f_old = 'h_post_collision f_post_collision'
root_compute = residual
[]
[Problem]
type = LatticeBoltzmannProblem
# Keep this low for this setup: high substeps with top/bottom bounce-back can blow up to NaN.
substeps = 100000
print_debug_output = true
scalar_constant_names = 'tau_h D sigma'
scalar_constant_values = '${tau_h} ${D} ${sigma}'
[]
[Executioner]
type = Transient
num_steps = 2
[]
[TensorOutputs]
[xdmf]
type = XDMFTensorOutput
buffer = 'phi velocity rho'
output_mode = 'Cell Cell Cell'
enable_hdf5 = true
transpose = false
[]
[]
(examples/libtorch_kks/KKS_libtorch.i)
#
# Kim-Kim-Suzuki with Gibbs energy supplied by a torch model, solved on a 2D grid.
#
# Constants for Initial Conditions
r = 30
l = 4.2
# Initial condition function for order parameter
eta_IC = '0.5*(1-tanh(2*(sqrt(x^2+y^2)-${r})/${l}))'
# Phase-field model parameters
kappa_eta = 5
w = 1
M = 5
L = 5
# Expressions for switching function and bulk Gibbs energy
h_eta = 'eta^3*(6*eta^2-15*eta+10)'
[Domain]
dim = 2
nx = 100
ny = 100
xmin = -50
xmax = 50
ymin = -50
ymax = 50
# automatically create a matching mesh
mesh_mode = DUMMY
[]
[TensorComputes]
[Initialize]
[c_IC]
type = ParsedCompute
buffer = c
expression = '0.6 + (0.3-0.6)*${eta_IC}'
extra_symbols = 'true'
[]
[eta_IC]
type = ParsedCompute
buffer = eta
expression = '${eta_IC}'
extra_symbols = 'true'
[]
[psi_init]
type = ConstantTensor
buffer = psi
real = 1
[]
[M]
type = ConstantTensor
buffer = M
real = ${M}
[]
[L]
type = ConstantTensor
buffer = L
real = ${L}
[]
[L_kappa]
type = ReciprocalLaplacianFactor
buffer = L_kappa
factor = ${fparse ${L} * ${kappa_eta} }
[]
[h_eta_IC]
type = ParsedCompute
buffer = h_eta
expression = '${h_eta}'
inputs = eta
[]
[G_func_IC]
type = LibtorchGibbsEnergy
buffer = 'G'
phase_fractions = 'h_eta'
concentrations = 'c'
domega_detas = 'dG_dh'
chem_pots = 'mu'
libtorch_model_file = 'torch_NN_gibbs_model.pt'
[]
[smooth]
type = DeAliasingTensor
method = HOULI
buffer = smooth
[]
[]
[Solve]
[h_eta]
type = ParsedCompute
buffer = h_eta
expression = '${h_eta}'
inputs = eta
[]
[G_func]
type = LibtorchGibbsEnergy
buffer = 'G'
phase_fractions = 'h_eta'
concentrations = 'c'
domega_detas = 'dG_dh'
chem_pots = 'mu'
libtorch_model_file = 'torch_NN_gibbs_model.pt'
[]
[dG_deta]
type = ParsedCompute
buffer = 'dG_deta'
inputs = 'eta dG_dh'
expression = 'dG_dh * ${h_eta} + ${w} * eta^2 * (1-eta^2)^2'
derivatives = 'eta'
[]
[etabar]
type = ForwardFFT
buffer = etabar
input = eta
[]
[AC_bulk]
type = ReciprocalAllenCahn
L = L
buffer = AC_bulk
dF_chem_deta = dG_deta
psi = psi
[]
[NL_eta]
type = ParsedCompute
buffer = NL_eta
expression = 'AC_bulk '
inputs = 'AC_bulk'
[]
[cbar]
type = ForwardFFT
buffer = cbar
input = c
[]
[div_J]
type = ReciprocalMatDiffusion
buffer = 'div_J'
chemical_potential = mu
mobility = M
psi = psi
[]
[NL_c]
type = ParsedCompute
buffer = 'NL_c'
inputs = 'div_J smooth'
expression = 'smooth * div_J'
[]
[]
[]
[TensorSolver]
type = AdamsBashforthMoulton
buffer = 'c eta'
reciprocal_buffer = 'cbar etabar'
linear_reciprocal = '0 L_kappa'
nonlinear_reciprocal = 'NL_c NL_eta'
substeps = 1e3
predictor_order = 3
corrector_order = 1
corrector_steps = 1
[]
[Postprocessors]
[total_c]
type = TensorIntegralPostprocessor
buffer = c
[]
[]
[TensorOutputs]
[xdmf]
type = XDMFTensorOutput
buffer = 'eta c mu psi dG_deta dG_dh G'
enable_hdf5 = true
transpose = false
[]
[]
[Executioner]
type = Transient
num_steps = 100
[TimeStepper]
type = IterationAdaptiveDT
growth_factor = 1.25
dt = 0.1
[]
dtmax = 10
[]
[Outputs]
csv = true
perf_graph = true
execute_on = 'INITIAL TIMESTEP_END'
[]
(test/tests/tensor_compute/pfc_fcc.i)
# FCC PFC test designed to clearly show atomic-scale density fluctuations
# Using larger epsilon for stronger density modulations
# Based on PhysRevE.81.061601 two-mode FCC PFC model
# Grid parameters - fine resolution to resolve atomic peaks
N = 1 # Grid points per dimension
# PFC model parameters - LARGER epsilon for clearer atomic structure
psi_mean = -0.2 # Mean density
epsilon = 0.15 # Larger undercooling for stronger modulations
R1_param = 0.0 # Two-mode coupling (0 for max FCC stability)
Q1_param = ${fparse sqrt(4.0/3.0)} # FCC wave number ratio
# Domain size: want several unit cells but fine enough resolution
# The (111) wavelength is 2*pi/q0 = 2*pi*sqrt(3/4) ≈ 5.44 (dimensionless)
# Let's fit about 'N' wavelengths in each direction
Lx = ${fparse N * 2 * pi / ${Q1_param}}
Ly = ${Lx}
[Domain]
dim = 2
nx = ${fparse ${N} * 8 }
ny = ${fparse ${N} * 8 }
xmax = ${Lx}
ymax = ${Ly}
[]
[TensorComputes]
[Initialize]
# Random perturbations to seed crystal growth
[psi]
type = RandomTensor
buffer = psi
max = ${fparse ${psi_mean} + 0.01}
min = ${fparse ${psi_mean} - 0.01}
seed = 12345
[]
# Linear operator for FCC
[linear]
type = FCCPFCLinear
buffer = 'linear'
eps = ${epsilon}
R1 = ${R1_param}
Q1 = ${Q1_param}
mobility = 1.0
[]
# Dealiasing for cubic nonlinearity
[smooth_operator]
type = DeAliasingTensor
buffer = smooth_operator
method = HOULI
[]
[]
[Solve]
# Nonlinear term
[nl_div_psi_cubed]
type = FCCPFCNonlinear
buffer = NL
psi = psi
dealiasing = smooth_operator
mobility = 1.0
[]
# FFT for spectral solver
[psi_hat]
type = ForwardFFT
buffer = psi_hat
input = psi
[]
[]
[]
[TensorSolver]
type = AdamsBashforthMoulton
buffer = 'psi'
linear_reciprocal = 'linear'
nonlinear_reciprocal = 'NL'
reciprocal_buffer = 'psi_hat'
corrector_order = 1
corrector_steps = 3
predictor_order = 1
substeps = 1000
[]
[Postprocessors]
[max_psi]
type = TensorExtremeValuePostprocessor
buffer = psi
value_type = MAX
execute_on = 'initial timestep_end'
[]
[min_psi]
type = TensorExtremeValuePostprocessor
buffer = psi
value_type = MIN
execute_on = 'initial timestep_end'
[]
[mean_psi]
type = TensorAveragePostprocessor
buffer = psi
execute_on = 'initial timestep_end'
[]
[]
[TensorOutputs]
[xdmf]
type = XDMFTensorOutput
buffer = 'psi'
enable_hdf5 = true
[]
[]
[Executioner]
type = Transient
num_steps = 100
dt = 0.2 # Larger timestep for faster evolution
[]
[Outputs]
perf_graph = true
csv = true
[]
(examples/lbm/Pebbles/pebbles.i)
[Domain]
dim = 3
nx = 240
ny = 50
nz = 50
xmax = 240
ymax = 50
zmax = 50
device_names='cpu'
# floating_precision = 'single'
parallel_mode = REAL_SPACE
periodic_directions = 'X Y'
[]
[Stencil]
[d3q19]
type = LBMD3Q19
[]
[]
[TensorBuffers]
# Density distribution functions
[f]
type = LBMTensorBuffer
buffer_type = df
[]
[feq]
type = LBMTensorBuffer
buffer_type = df
[]
[fpc]
type = LBMTensorBuffer
buffer_type = df
[]
# Temperature distribution functions
[g]
type = LBMTensorBuffer
buffer_type = df
[]
[geq]
type = LBMTensorBuffer
buffer_type = df
[]
[gpc]
type = LBMTensorBuffer
buffer_type = df
[]
# Fluid macroscopic variables: density and velocity
[density]
type = LBMTensorBuffer
buffer_type = ms
[]
[velocity]
type = LBMTensorBuffer
buffer_type = mv
[]
[speed]
type=LBMTensorBuffer
buffer_type = ms
[]
# Temperature macroscpic variables: temperature and 'velocity'
[T]
type = LBMTensorBuffer
buffer_type = ms
[]
# Forces
[F]
type = LBMTensorBuffer
buffer_type = mv
[]
# Simulation domain
[binary_media]
type = LBMTensorBuffer
buffer_type = ms
file = 'binary_media.h5'
is_integer = true
[]
[]
[TensorComputes]
#### Initialzie ####
[Initialize]
[density]
type = LBMConstantTensor
buffer = density
constants = 'rho0'
[]
[velocity]
type = LBMConstantTensor
buffer = velocity
constants = '0.0 0.0'
[]
[temperature]
type = LBMConstantTensor
buffer = T
constants = T_C
[]
[equilibrium_fluid]
type = LBMEquilibrium
buffer = feq
bulk = density
velocity = velocity
[]
[equilibrium_fluid_total]
type = LBMEquilibrium
buffer = f
bulk = density
velocity = velocity
[]
[equilibrium_fluid_pc]
type = LBMEquilibrium
buffer = fpc
bulk = density
velocity = velocity
[]
[equilibrium_temperature]
type = LBMEquilibrium
buffer = geq
bulk = T
velocity = velocity
[]
[equilibrium_temperature_total]
type = LBMEquilibrium
buffer = g
bulk = T
velocity = velocity
[]
[equilibrium_temperature_pc]
type = LBMEquilibrium
buffer = gpc
bulk = T
velocity = velocity
[]
# [t_wall_hot_init]
# type = LBMDirichletWallBC
# buffer = g
# f_old = gpc
# value = T_H
# velocity = velocity
# boundary = wall
# []
[]
#### Compute ####
[Solve]
# For temperature
[Temperature]
type = LBMComputeDensity
buffer = T
f = g
[]
# For fluid
[Fluid_density]
type = LBMComputeDensity
buffer = density
f = f
[]
[Fluid_velocity]
type = LBMComputeVelocity
buffer = velocity
f = f
rho = density
forces = F
enable_forces = true
[]
# For temperature
[Equilibrium_temperature]
type = LBMEquilibrium
buffer = geq
bulk = T
velocity = velocity
[]
[Collision_temperature]
type = LBMMRTCollision
buffer = gpc
f = g
feq = geq
tau0 = tau_T
[]
# For fluid
[Compute_forces]
type = LBMComputeForces
buffer = F
rho0 = 'rho0'
temperature = T
T0 = T_H
enable_buoyancy = true
gravity = g
gravity_direction=0
[]
[Equilibrium_fluid]
type = LBMEquilibrium
buffer = feq
bulk = density
velocity = velocity
[]
[Collision_fluid]
type = LBMMRTCollision
buffer = fpc
f = f
feq = feq
tau0 = tau_f
[]
[Apply_forces]
type = LBMApplyForces
buffer = fpc
velocity = velocity
rho = density
forces = F
tau0 = tau_f
[]
[speed]
type=LBMComputeVelocityMagnitude
buffer=speed
velocity=velocity
[]
[residual]
type = LBMComputeResidual
buffer = speed
speed = speed
[]
[]
#### Boundary ####
[Boundary]
##### for fluid
[inlet]
type = LBMFixedFirstOrderBC
buffer = f
f = f
value = u0
boundary = left
[]
[outlet]
type = LBMMicroscopicZeroGradientBC
buffer = f
boundary = right
[]
[top]
type = LBMBounceBack
buffer = f
f_old = fpc
boundary = top
# exclude_corners_x = true
[]
[bottom]
type = LBMBounceBack
buffer = f
f_old = fpc
boundary = bottom
# exclude_corners_x = true
[]
[front]
type = LBMBounceBack
buffer = f
f_old = fpc
boundary = front
# exclude_corners_x = true
[]
[back]
type = LBMBounceBack
buffer = f
f_old = fpc
boundary = back
# exclude_corners_x = true
[]
[wall]
type = LBMBounceBack
buffer = f
f_old = fpc
boundary = wall
[]
##### for temperature
[t_inlet]
type = LBMFixedZerothOrderBC
buffer = g
f = g
value = T_C
boundary = left
[]
[t_outlet]
type = LBMMicroscopicZeroGradientBC
buffer = g
boundary = right
[]
[t_top]
type = LBMBounceBack
buffer = g
f_old = gpc
boundary = top
[]
[t_bottom]
type = LBMBounceBack
buffer = g
f_old = gpc
boundary = bottom
[]
[t_front]
type = LBMBounceBack
buffer = g
f_old = gpc
boundary = front
[]
[t_back]
type = LBMBounceBack
buffer = g
f_old = gpc
boundary = back
[]
[t_wall_hot]
type = LBMDirichletBC
buffer = g
f_old = gpc
feq = geq
velocity = velocity
rho = T
value = 1.2
boundary = wall
[]
[]
[]
[TensorSolver]
type = LBMStream
buffer = 'f g'
f_old = 'fpc gpc'
root_compute = residual
[]
[Problem]
type = LatticeBoltzmannProblem
substeps = 20
scalar_constant_names = 'rho0 T_C T_H tau_f tau_T g u0'
scalar_constant_values = '1.0 1.0 1.2 0.9 0.9 0.001 0.001'
is_binary_media = true
binary_media = binary_media
[]
[Postprocessors]
[reynolds]
type = ComputeReynoldsNumber
buffer = speed
tau = tau_f
diameter = 15
[]
[]
[Executioner]
type = Transient
num_steps = 2000
[]
# [TensorOutputs]
# [xdmf2]
# type = XDMFTensorOutput
# buffer = 'binary_media'
# output_mode = 'Cell'
# enable_hdf5 = true
# []
# []
[TensorOutputs]
[xdmf2]
type = XDMFTensorOutput
buffer = 'T velocity density binary_media'
output_mode = 'Cell Cell Cell Cell'
enable_hdf5 = true
[]
[]