- variableThe variable this initial condition is supposed to provide values for.
C++ Type:VariableName
Controllable:No
Description:The variable this initial condition is supposed to provide values for.
- x1The x coordinate of the lower left-hand corner of the box
C++ Type:double
Controllable:No
Description:The x coordinate of the lower left-hand corner of the box
- x2The x coordinate of the upper right-hand corner of the box
C++ Type:double
Controllable:No
Description:The x coordinate of the upper right-hand corner of the box
- y1The y coordinate of the lower left-hand corner of the box
C++ Type:double
Controllable:No
Description:The y coordinate of the lower left-hand corner of the box
- y2The y coordinate of the upper right-hand corner of the box
C++ Type:double
Controllable:No
Description:The y coordinate of the upper right-hand corner of the box
BoundingBoxIC
BoundingBoxIC allows setting the initial condition of a value inside and outside of a specified box. The box is aligned with the x, y, z axes and is specified by passing in the x, y, z coordinates of the bottom left point and the top right point. Each of the coordinates of the "bottom_left" point MUST be less than those coordinates in the "top_right" point.
When setting the initial condition, if bottom_left <= Point <= top_right then the "inside" value is used. Otherwise the "outside" value is used.
commentnote
When using this IC, only a single bounding box my be specified within the domain. If multiple bounding boxes are needed, this capability is implemented in the phase_field module as MultiBoundingBoxIC.
Class Description
BoundingBoxIC allows setting the initial condition of a value inside and outside of a specified box. The box is aligned with the x, y, z axes
Input Parameters
- blockThe list of blocks (ids or names) that this object will be applied
C++ Type:std::vector<SubdomainName>
Controllable:No
Description:The list of blocks (ids or names) that this object will be applied
- boundaryThe list of boundaries (ids or names) from the mesh where this object applies
C++ Type:std::vector<BoundaryName>
Controllable:No
Description:The list of boundaries (ids or names) from the mesh where this object applies
- inside0The value of the variable inside the box
Default:0
C++ Type:double
Controllable:No
Description:The value of the variable inside the box
- int_width0The width of the diffuse interface. Set to 0 for sharp interface.
Default:0
C++ Type:double
Controllable:No
Description:The width of the diffuse interface. Set to 0 for sharp interface.
- outside0The value of the variable outside the box
Default:0
C++ Type:double
Controllable:No
Description:The value of the variable outside the box
- prop_getter_suffixAn optional suffix parameter that can be appended to any attempt to retrieve/get material properties. The suffix will be prepended with a '_' character.
C++ Type:MaterialPropertyName
Controllable:No
Description:An optional suffix parameter that can be appended to any attempt to retrieve/get material properties. The suffix will be prepended with a '_' character.
- use_interpolated_stateFalseFor the old and older state use projected material properties interpolated at the quadrature points. To set up projection use the ProjectedStatefulMaterialStorageAction.
Default:False
C++ Type:bool
Controllable:No
Description:For the old and older state use projected material properties interpolated at the quadrature points. To set up projection use the ProjectedStatefulMaterialStorageAction.
- z10The z coordinate of the lower left-hand corner of the box
Default:0
C++ Type:double
Controllable:No
Description:The z coordinate of the lower left-hand corner of the box
- z20The z coordinate of the upper right-hand corner of the box
Default:0
C++ Type:double
Controllable:No
Description:The z coordinate of the upper right-hand corner of the box
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.
- ignore_uo_dependencyFalseWhen set to true, a UserObject retrieved by this IC will not be executed before the this IC
Default:False
C++ Type:bool
Controllable:No
Description:When set to true, a UserObject retrieved by this IC will not be executed before the this IC
Advanced Parameters
Input Files
- (modules/phase_field/examples/anisotropic_interfaces/GrandPotentialPlanarGrowth.i)
- (test/tests/ics/bounding_box_ic/bounding_box_ic_test.i)
- (modules/phase_field/test/tests/rigidbodymotion/grain_motion2.i)
- (modules/chemical_reactions/test/tests/aqueous_equilibrium/2species_eqaux.i)
- (modules/misc/test/tests/dynamic_loading/dynamic_obj_registration/dynamic_wrong_lib.i)
- (modules/phase_field/examples/multiphase/GrandPotential3Phase_masscons.i)
- (modules/chemical_reactions/test/tests/aqueous_equilibrium/1species_without_action.i)
- (test/tests/indicators/value_jump_indicator/value_jump_indicator_fv.i)
- (modules/phase_field/test/tests/rigidbodymotion/update_orientation.i)
- (modules/phase_field/test/tests/feature_volume_vpp_test/centroid.i)
- (modules/chemical_reactions/test/tests/aqueous_equilibrium/2species_without_action.i)
- (modules/porous_flow/test/tests/chemistry/2species_equilibrium_2phase.i)
- (modules/phase_field/test/tests/phase_field_kernels/ADnonuniform_barrier_coefficient.i)
- (modules/phase_field/test/tests/actions/gpm_kernel.i)
- (modules/phase_field/test/tests/actions/both_split_2vars.i)
- (modules/chemical_reactions/test/tests/aqueous_equilibrium/1species.i)
- (modules/chemical_reactions/test/tests/parser/equilibrium_action.i)
- (modules/chemical_reactions/test/tests/parser/equilibrium_without_action.i)
- (modules/phase_field/test/tests/MultiPhase/switchingfunctionmultiphasematerial.i)
- (test/tests/ics/from_exodus_solution/nodal_part2.i)
- (modules/phase_field/test/tests/phase_field_kernels/nonuniform_barrier_coefficient.i)
- (modules/phase_field/test/tests/rigidbodymotion/update_orientation_verify.i)
- (modules/chemical_reactions/test/tests/aqueous_equilibrium/2species_with_density.i)
- (modules/porous_flow/examples/tutorial/13.i)
- (modules/phase_field/test/tests/mobility_derivative/mobility_derivative_direct_coupled_test.i)
- (modules/misc/test/tests/dynamic_loading/dynamic_obj_registration/dynamic_objects.i)
- (test/tests/mesh/adapt/initial_adaptivity_test.i)
- (modules/combined/test/tests/linear_elasticity/extra_stress.i)
- (modules/phase_field/examples/rigidbodymotion/AC_CH_advection_constforce_rect.i)
- (modules/phase_field/test/tests/mobility_derivative/AC_mobility_derivative_coupled_test.i)
- (modules/phase_field/test/tests/actions/both_direct_2vars.i)
- (modules/phase_field/test/tests/initial_conditions/BoundingBoxIC.i)
- (modules/chemical_reactions/examples/calcium_bicarbonate/calcium_bicarbonate.i)
- (modules/phase_field/tutorials/spinodal_decomposition/s2_fasttest.i)
- (modules/porous_flow/examples/lava_lamp/2phase_convection.i)
- (modules/misc/test/tests/dynamic_loading/dynamic_load_multiapp/phase_field_sub.i)
- (modules/misc/test/tests/dynamic_loading/dynamic_obj_registration/dynamic_objects2.i)
- (modules/phase_field/test/tests/mobility_derivative/mobility_derivative_split_coupled_test.i)
- (modules/porous_flow/test/tests/chemistry/2species_equilibrium.i)
- (modules/phase_field/test/tests/flood_counter_aux_test/boundary_intersection.i)
- (modules/phase_field/tutorials/spinodal_decomposition/s1_testmodel.i)
- (test/tests/indicators/value_jump_indicator/value_jump_indicator_test.i)
- (modules/chemical_reactions/test/tests/aqueous_equilibrium/2species.i)
- (test/tests/ics/bounding_box_ic/bounding_box_ic_diffuse_test.i)
- (modules/phase_field/test/tests/rigidbodymotion/grain_motion.i)
References
No citations exist within this document.(modules/phase_field/examples/anisotropic_interfaces/GrandPotentialPlanarGrowth.i)
[Mesh]
type = GeneratedMesh
dim = 2
nx = 10
ny = 10
xmin = -2
xmax = 2
ymin = -2
ymax = 2
uniform_refine = 2
[]
[GlobalParams]
x1 = -2
y1 = -2
x2 = 2
y2 = -1.5
derivative_order = 2
[]
[Variables]
[./w]
[../]
[./etaa0]
[../]
[./etab0]
[../]
[]
[AuxVariables]
[./bnds]
[../]
#Temperature
[./T]
[../]
[]
[AuxKernels]
[./bnds]
type = BndsCalcAux
variable = bnds
v = 'etaa0 etab0'
[../]
[./T]
type = FunctionAux
function = 95.0+2.0*(y-1.0*t)
variable = T
execute_on = 'initial timestep_begin'
[../]
[]
[ICs]
[./w]
type = BoundingBoxIC
variable = w
# note w = A*(c-cleq), A = 1.0, cleq = 0.0 ,i.e., w = c (in the matrix/liquid phase)
outside = -4.0
inside = 0.0
[../]
[./etaa0]
type = BoundingBoxIC
variable = etaa0
#Solid phase
outside = 0.0
inside = 1.0
[../]
[./etab0]
type = BoundingBoxIC
variable = etab0
#Liquid phase
outside = 1.0
inside = 0.0
[../]
[]
[Kernels]
# Order parameter eta_alpha0
[./ACa0_bulk]
type = ACGrGrMulti
variable = etaa0
v = 'etab0'
gamma_names = 'gab'
[../]
[./ACa0_sw]
type = ACSwitching
variable = etaa0
Fj_names = 'omegaa omegab'
hj_names = 'ha hb'
coupled_variables = 'etab0 w'
[../]
[./ACa0_int1]
type = ACInterface2DMultiPhase1
variable = etaa0
etas = 'etab0'
kappa_name = kappaa
dkappadgrad_etaa_name = dkappadgrad_etaa
d2kappadgrad_etaa_name = d2kappadgrad_etaa
[../]
[./ACa0_int2]
type = ACInterface2DMultiPhase2
variable = etaa0
kappa_name = kappaa
dkappadgrad_etaa_name = dkappadgrad_etaa
[../]
[./ea0_dot]
type = TimeDerivative
variable = etaa0
[../]
# Order parameter eta_beta0
[./ACb0_bulk]
type = ACGrGrMulti
variable = etab0
v = 'etaa0'
gamma_names = 'gab'
[../]
[./ACb0_sw]
type = ACSwitching
variable = etab0
Fj_names = 'omegaa omegab'
hj_names = 'ha hb'
coupled_variables = 'etaa0 w'
[../]
[./ACb0_int1]
type = ACInterface2DMultiPhase1
variable = etab0
etas = 'etaa0'
kappa_name = kappab
dkappadgrad_etaa_name = dkappadgrad_etab
d2kappadgrad_etaa_name = d2kappadgrad_etab
[../]
[./ACb0_int2]
type = ACInterface2DMultiPhase2
variable = etab0
kappa_name = kappab
dkappadgrad_etaa_name = dkappadgrad_etab
[../]
[./eb0_dot]
type = TimeDerivative
variable = etab0
[../]
#Chemical potential
[./w_dot]
type = SusceptibilityTimeDerivative
variable = w
f_name = chi
[../]
[./Diffusion]
type = MatDiffusion
variable = w
diffusivity = Dchi
[../]
[./coupled_etaa0dot]
type = CoupledSwitchingTimeDerivative
variable = w
v = etaa0
Fj_names = 'rhoa rhob'
hj_names = 'ha hb'
coupled_variables = 'etaa0 etab0'
[../]
[./coupled_etab0dot]
type = CoupledSwitchingTimeDerivative
variable = w
v = etab0
Fj_names = 'rhoa rhob'
hj_names = 'ha hb'
coupled_variables = 'etaa0 etab0'
[../]
[]
[Materials]
[./ha]
type = SwitchingFunctionMultiPhaseMaterial
h_name = ha
all_etas = 'etaa0 etab0'
phase_etas = 'etaa0'
[../]
[./hb]
type = SwitchingFunctionMultiPhaseMaterial
h_name = hb
all_etas = 'etaa0 etab0'
phase_etas = 'etab0'
[../]
[./omegaa]
type = DerivativeParsedMaterial
coupled_variables = 'w'
property_name = omegaa
material_property_names = 'Vm ka caeq'
expression = '-0.5*w^2/Vm^2/ka-w/Vm*caeq'
[../]
[./omegab]
type = DerivativeParsedMaterial
coupled_variables = 'w T'
property_name = omegab
material_property_names = 'Vm kb cbeq S Tm'
expression = '-0.5*w^2/Vm^2/kb-w/Vm*cbeq-S*(T-Tm)'
[../]
[./rhoa]
type = DerivativeParsedMaterial
coupled_variables = 'w'
property_name = rhoa
material_property_names = 'Vm ka caeq'
expression = 'w/Vm^2/ka + caeq/Vm'
[../]
[./rhob]
type = DerivativeParsedMaterial
coupled_variables = 'w'
property_name = rhob
material_property_names = 'Vm kb cbeq'
expression = 'w/Vm^2/kb + cbeq/Vm'
[../]
[./kappaa]
type = InterfaceOrientationMultiphaseMaterial
kappa_name = kappaa
dkappadgrad_etaa_name = dkappadgrad_etaa
d2kappadgrad_etaa_name = d2kappadgrad_etaa
etaa = etaa0
etab = etab0
outputs = exodus
output_properties = 'kappaa'
[../]
[./kappab]
type = InterfaceOrientationMultiphaseMaterial
kappa_name = kappab
dkappadgrad_etaa_name = dkappadgrad_etab
d2kappadgrad_etaa_name = d2kappadgrad_etab
etaa = etab0
etab = etaa0
outputs = exodus
output_properties = 'kappab'
[../]
[./const]
type = GenericConstantMaterial
prop_names = 'L D chi Vm ka caeq kb cbeq gab mu S Tm'
prop_values = '1.0 1.0 0.1 1.0 10.0 0.1 10.0 0.9 4.5 10.0 1.0 100.0'
[../]
[./Mobility]
type = ParsedMaterial
property_name = Dchi
material_property_names = 'D chi'
expression = 'D*chi'
[../]
[]
[Preconditioning]
[./SMP]
type = SMP
full = true
[../]
[]
[Executioner]
type = Transient
scheme = bdf2
solve_type = PJFNK
petsc_options_iname = '-pc_type -pc_hypre_type -ksp_gmres_restart'
petsc_options_value = 'hypre boomeramg 31'
l_tol = 1.0e-3
l_max_its = 30
nl_max_its = 15
nl_rel_tol = 1.0e-8
nl_abs_tol = 1e-8
end_time = 2.0
[./TimeStepper]
type = IterationAdaptiveDT
dt = 0.0005
cutback_factor = 0.7
growth_factor = 1.2
[../]
[]
[Adaptivity]
initial_steps = 3
max_h_level = 3
initial_marker = err_eta
marker = err_bnds
[./Markers]
[./err_eta]
type = ErrorFractionMarker
coarsen = 0.3
refine = 0.95
indicator = ind_eta
[../]
[./err_bnds]
type = ErrorFractionMarker
coarsen = 0.3
refine = 0.95
indicator = ind_bnds
[../]
[../]
[./Indicators]
[./ind_eta]
type = GradientJumpIndicator
variable = etaa0
[../]
[./ind_bnds]
type = GradientJumpIndicator
variable = bnds
[../]
[../]
[]
[Outputs]
time_step_interval = 10
exodus = true
[]
(test/tests/ics/bounding_box_ic/bounding_box_ic_test.i)
[Mesh]
[./square]
type = GeneratedMeshGenerator
nx = 2
ny = 2
dim = 2
[../]
uniform_refine = 3
[]
[Variables]
active = 'u'
[./u]
order = FIRST
family = LAGRANGE
[./InitialCondition]
type = BoundingBoxIC
x1 = 0.1
y1 = 0.1
x2 = 0.6
y2 = 0.6
inside = 2.3
outside = 4.6
[../]
[../]
[]
[AuxVariables]
active = 'u_aux'
[./u_aux]
order = FIRST
family = LAGRANGE
[./InitialCondition]
type = BoundingBoxIC
x1 = 0.1
y1 = 0.1
x2 = 0.6
y2 = 0.6
inside = 1.34
outside = 6.67
[../]
[../]
[]
[Kernels]
active = 'diff'
[./diff]
type = Diffusion
variable = u
[../]
[]
[BCs]
active = 'left right'
[./left]
type = DirichletBC
variable = u
boundary = 3
value = 0
[../]
[./right]
type = DirichletBC
variable = u
boundary = 1
value = 1
[../]
[]
[Executioner]
type = Steady
solve_type = 'PJFNK'
[]
[Outputs]
file_base = out
exodus = true
[]
(modules/phase_field/test/tests/rigidbodymotion/grain_motion2.i)
# test file for applyting advection term and observing rigid body motion of grains
[Mesh]
type = GeneratedMesh
dim = 2
nx = 25
ny = 15
nz = 0
xmax = 50
ymax = 25
zmax = 0
elem_type = QUAD4
[]
[Variables]
[./c]
order = FIRST
family = LAGRANGE
[../]
[./w]
order = FIRST
family = LAGRANGE
[../]
[./eta]
order = FIRST
family = LAGRANGE
[../]
[]
[AuxVariables]
[./vadvx]
order = CONSTANT
family = MONOMIAL
[../]
[./vadvy]
order = CONSTANT
family = MONOMIAL
[../]
[./unique_grains]
order = CONSTANT
family = MONOMIAL
[../]
[./centroids]
order = CONSTANT
family = MONOMIAL
[../]
[]
[Kernels]
[./c_res]
type = SplitCHParsed
variable = c
f_name = F
kappa_name = kappa_c
w = w
coupled_variables = eta
[../]
[./w_res]
type = SplitCHWRes
variable = w
mob_name = M
[../]
[./time]
type = CoupledTimeDerivative
variable = w
v = c
[../]
[./motion]
type = MultiGrainRigidBodyMotion
variable = w
c = c
v = eta
grain_tracker_object = grain_center
grain_force = grain_force
grain_volumes = grain_volumes
[../]
[./eta_dot]
type = TimeDerivative
variable = eta
[../]
[./vadv_eta]
type = SingleGrainRigidBodyMotion
variable = eta
c = c
v = eta
grain_tracker_object = grain_center
grain_force = grain_force
grain_volumes = grain_volumes
[../]
[./acint_eta]
type = ACInterface
variable = eta
mob_name = M
coupled_variables = c
kappa_name = kappa_eta
[../]
[./acbulk_eta]
type = AllenCahn
variable = eta
mob_name = M
f_name = F
coupled_variables = c
[../]
[]
[AuxKernels]
[./vadv_x]
type = GrainAdvectionAux
component = x
grain_tracker_object = grain_center
grain_force = grain_force
grain_volumes = grain_volumes
variable = vadvx
[../]
[./vadv_y]
type = GrainAdvectionAux
component = y
grain_tracker_object = grain_center
grain_force = grain_force
grain_volumes = grain_volumes
variable = vadvy
[../]
[./unique_grains]
type = FeatureFloodCountAux
variable = unique_grains
flood_counter = grain_center
field_display = UNIQUE_REGION
execute_on = 'initial timestep_begin'
[../]
[./centroids]
type = FeatureFloodCountAux
variable = centroids
execute_on = 'initial timestep_begin'
field_display = CENTROID
flood_counter = grain_center
[../]
[]
[Materials]
[./pfmobility]
type = GenericConstantMaterial
prop_names = 'M kappa_c kappa_eta'
prop_values = '5.0 2.0 0.1'
[../]
[./free_energy]
type = DerivativeParsedMaterial
coupled_variables = 'c eta'
constant_names = 'barr_height cv_eq'
constant_expressions = '0.1 1.0e-2'
expression = 16*barr_height*(c-cv_eq)^2*(1-cv_eq-c)^2+(c-eta)^2
derivative_order = 2
[../]
[]
[VectorPostprocessors]
[./forces]
type = GrainForcesPostprocessor
grain_force = grain_force
[../]
[./grain_volumes]
type = FeatureVolumeVectorPostprocessor
flood_counter = grain_center
execute_on = 'initial timestep_begin'
[../]
[]
[UserObjects]
[./grain_center]
type = FauxGrainTracker
variable = eta
outputs = none
compute_var_to_feature_map = true
execute_on = 'initial timestep_begin'
[../]
[./grain_force]
type = ConstantGrainForceAndTorque
execute_on = 'initial linear nonlinear'
force = '0.5 0.0 0.0 '
torque = '0.0 0.0 10.0 '
[../]
[]
[Preconditioning]
[./SMP]
type = SMP
full = true
[../]
[]
[Executioner]
type = Transient
nl_max_its = 30
scheme = bdf2
solve_type = NEWTON
petsc_options_iname = '-pc_type -ksp_gmres_restart -sub_ksp_type -sub_pc_type -pc_asm_overlap'
petsc_options_value = 'asm 31 preonly lu 1'
l_max_its = 30
l_tol = 1.0e-4
nl_rel_tol = 1.0e-10
start_time = 0.0
dt = 0.5
num_steps = 1
[]
[Outputs]
exodus = true
[]
[ICs]
[./rect_c]
y2 = 20.0
y1 = 5.0
inside = 1.0
x2 = 30.0
variable = c
x1 = 10.0
type = BoundingBoxIC
[../]
[./rect_eta]
y2 = 20.0
y1 = 5.0
inside = 1.0
x2 = 30.0
variable = eta
x1 = 10.0
type = BoundingBoxIC
[../]
[]
(modules/chemical_reactions/test/tests/aqueous_equilibrium/2species_eqaux.i)
# In this example, two primary species a and b are transported by diffusion and convection
# from the left of the porous medium, reacting to form two equilibrium species pa2 and pab
# according to the equilibrium reaction specified in the AqueousEquilibriumReactions block as:
#
# reactions = '2a = pa2 2
# a + b = pab -2'
#
# where the 2 is the weight of the equilibrium species, the 2 on the RHS of the first reaction
# refers to the equilibrium constant (log10(Keq) = 2), and the -2 on the RHS of the second
# reaction equates to log10(Keq) = -2.
#
# This example is identical to 2species.i, except that it explicitly includes all AuxKernels
# and Kernels that are set up by the action in 2species.i, and that the equilbrium constants
# are provided by AuxVariables
[Mesh]
type = GeneratedMesh
dim = 2
nx = 10
[]
[Variables]
[./a]
order = FIRST
family = LAGRANGE
[./InitialCondition]
type = BoundingBoxIC
x1 = 0.0
y1 = 0.0
x2 = 1.0e-10
y2 = 1
inside = 1.0e-2
outside = 1.0e-10
[../]
[../]
[./b]
order = FIRST
family = LAGRANGE
[./InitialCondition]
type = BoundingBoxIC
x1 = 0.0
y1 = 0.0
x2 = 1.0e-10
y2 = 1
inside = 1.0e-2
outside = 1.0e-10
[../]
[../]
[]
[AuxVariables]
[./pressure]
order = FIRST
family = LAGRANGE
[../]
[./pa2]
[../]
[./pab]
[../]
[./pa2_logk]
initial_condition = 2
[../]
[./pab_logk]
initial_condition = -2
[../]
[]
[AuxKernels]
[./pa2eq]
type = AqueousEquilibriumRxnAux
variable = pa2
v = a
sto_v = 2
log_k = pa2_logk
[../]
[./pabeq]
type = AqueousEquilibriumRxnAux
variable = pab
v = 'a b'
sto_v = '1 1'
log_k = pab_logk
[../]
[]
[ICs]
[./pressure]
type = FunctionIC
variable = pressure
function = 2-x
[../]
[]
[Kernels]
[./a_ie]
type = PrimaryTimeDerivative
variable = a
[../]
[./a_diff]
type = PrimaryDiffusion
variable = a
[../]
[./a_conv]
type = PrimaryConvection
variable = a
p = pressure
[../]
[./b_ie]
type = PrimaryTimeDerivative
variable = b
[../]
[./b_diff]
type = PrimaryDiffusion
variable = b
[../]
[./b_conv]
type = PrimaryConvection
variable = b
p = pressure
[../]
[./a1eq]
type = CoupledBEEquilibriumSub
variable = a
log_k = pa2_logk
weight = 2
sto_u = 2
[../]
[./a1diff]
type = CoupledDiffusionReactionSub
variable = a
log_k = pa2_logk
weight = 2
sto_u = 2
[../]
[./a1conv]
type = CoupledConvectionReactionSub
variable = a
log_k = pa2_logk
weight = 2
sto_u = 2
p = pressure
[../]
[./a2eq]
type = CoupledBEEquilibriumSub
variable = a
v = b
log_k = pab_logk
weight = 1
sto_v = 1
sto_u = 1
[../]
[./a2diff]
type = CoupledDiffusionReactionSub
variable = a
v = b
log_k = pab_logk
weight = 1
sto_v = 1
sto_u = 1
[../]
[./a2conv]
type = CoupledConvectionReactionSub
variable = a
v = b
log_k = pab_logk
weight = 1
sto_v = 1
sto_u = 1
p = pressure
[../]
[./b2eq]
type = CoupledBEEquilibriumSub
variable = b
v = a
log_k = pab_logk
weight = 1
sto_v = 1
sto_u = 1
[../]
[./b2diff]
type = CoupledDiffusionReactionSub
variable = b
v = a
log_k = pab_logk
weight = 1
sto_v = 1
sto_u = 1
[../]
[./b2conv]
type = CoupledConvectionReactionSub
variable = b
v = a
log_k = pab_logk
weight = 1
sto_v = 1
sto_u = 1
p = pressure
[../]
[]
[BCs]
[./a_left]
type = DirichletBC
variable = a
boundary = left
value = 1.0e-2
[../]
[./a_right]
type = ChemicalOutFlowBC
variable = a
boundary = right
[../]
[./b_left]
type = DirichletBC
variable = b
boundary = left
value = 1.0e-2
[../]
[./b_right]
type = ChemicalOutFlowBC
variable = b
boundary = right
[../]
[]
[Materials]
[./porous]
type = GenericConstantMaterial
prop_names = 'diffusivity conductivity porosity'
prop_values = '1e-4 1e-4 0.2'
[../]
[]
[Executioner]
type = Transient
solve_type = PJFNK
petsc_options_iname = '-pc_type -pc_hypre_type'
petsc_options_value = 'hypre boomeramg'
nl_abs_tol = 1e-12
start_time = 0.0
end_time = 100
dt = 10.0
[]
[Outputs]
file_base = 2species_out
exodus = true
perf_graph = true
print_linear_residuals = true
hide = 'pa2_logk pab_logk'
[]
[Preconditioning]
[./smp]
type = SMP
full = true
[../]
[]
(modules/misc/test/tests/dynamic_loading/dynamic_obj_registration/dynamic_wrong_lib.i)
# This input file contains objects only available in solid_mechanics
[Mesh]
type = GeneratedMesh
dim = 2
nx = 4
ny = 2
nz = 0
xmax = 50
ymax = 25
zmax = 0
elem_type = QUAD4
uniform_refine = 2
[]
[Variables]
[c]
order = THIRD
family = HERMITE
[InitialCondition]
type = BoundingBoxIC
x1 = 15.0
x2 = 35.0
y1 = 0.0
y2 = 25.0
inside = 1.0
outside = -0.8
variable = c
[]
[]
[]
[Kernels]
[ie_c]
type = TimeDerivative
variable = c
[]
[CHSolid]
type = CHMath
variable = c
mob_name = M
[]
[CHInterface]
type = CHInterface
variable = c
kappa_name = kappa_c
mob_name = M
[]
[]
[BCs]
[Periodic]
[all]
auto_direction = 'x y'
[]
[]
[]
[Materials]
[constant]
type = GenericConstantMaterial
prop_names = 'M kappa_c'
prop_values = '1.0 1.0'
block = 0
[]
[]
[Executioner]
type = Transient
scheme = bdf2
solve_type = PJFNK
petsc_options_iname = '-pc_type -pc_hypre_type -ksp_gmres_restart'
petsc_options_value = 'hypre boomeramg 101'
l_max_its = 15
nl_max_its = 10
start_time = 0.0
num_steps = 2
dt = 1.0
[]
[Outputs]
exodus = true
[]
# Here we'll load the wrong library and check for the correct error condition
[Problem]
register_objects_from = 'SolidMechanicsApp'
library_path = '../../../../../solid_mechanics/lib'
[]
(modules/phase_field/examples/multiphase/GrandPotential3Phase_masscons.i)
# This is an example of implementation of the multi-phase, multi-order parameter
# grand potential based phase-field model described in Phys. Rev. E, 98, 023309
# (2018). It includes 3 phases with 1 grain of each phase.
# This is a revised version of the model that eliminates small variations in mass
# that have been observed with the original formulation. In this version, rather
# than evolving the chemical potential as a field variable, we evolve the composition
# field using a normal Cahn-Hilliard equation, then relate chemical potential to
# composition using Eq. (22) from the paper (this relationship is derived from the
# grand potential functional and is valid only for parabolic free energies).
[Mesh]
type = GeneratedMesh
dim = 2
nx = 60
ny = 60
xmin = -15
xmax = 15
ymin = -15
ymax = 15
[]
[Variables]
[w]
[]
[c]
[]
[etaa0]
[]
[etab0]
[]
[etad0]
[]
[]
[ICs]
[IC_etaa0]
type = BoundingBoxIC
variable = etaa0
x1 = -10
y1 = -10
x2 = 10
y2 = 10
inside = 1.0
outside = 0.0
[]
[IC_etad0]
type = BoundingBoxIC
variable = etad0
x1 = -10
y1 = -10
x2 = 10
y2 = 10
inside = 0.0
outside = 1.0
[]
[IC_c]
type = BoundingBoxIC
variable = c
x1 = -10
y1 = -10
x2 = 10
y2 = 10
inside = 0.1
outside = 0.5
[]
[IC_w]
type = FunctionIC
variable = w
function = ic_func_w
[]
[]
[Functions]
[ic_func_w]
type = ConstantFunction
value = 0
[]
[]
[Kernels]
# Order parameter eta_alpha0
[ACa0_bulk]
type = ACGrGrMulti
variable = etaa0
v = 'etab0 etad0'
gamma_names = 'gab gad'
[]
[ACa0_sw]
type = ACSwitching
variable = etaa0
Fj_names = 'omegaa omegab omegad'
hj_names = 'ha hb hd'
coupled_variables = 'etab0 etad0 w'
[]
[ACa0_int]
type = ACInterface
variable = etaa0
kappa_name = kappa
[]
[ea0_dot]
type = TimeDerivative
variable = etaa0
[]
# Order parameter eta_beta0
[ACb0_bulk]
type = ACGrGrMulti
variable = etab0
v = 'etaa0 etad0'
gamma_names = 'gab gbd'
[]
[ACb0_sw]
type = ACSwitching
variable = etab0
Fj_names = 'omegaa omegab omegad'
hj_names = 'ha hb hd'
coupled_variables = 'etaa0 etad0 w'
[]
[ACb0_int]
type = ACInterface
variable = etab0
kappa_name = kappa
[]
[eb0_dot]
type = TimeDerivative
variable = etab0
[]
# Order parameter eta_delta0
[ACd0_bulk]
type = ACGrGrMulti
variable = etad0
v = 'etaa0 etab0'
gamma_names = 'gad gbd'
[]
[ACd0_sw]
type = ACSwitching
variable = etad0
Fj_names = 'omegaa omegab omegad'
hj_names = 'ha hb hd'
coupled_variables = 'etaa0 etab0 w'
[]
[ACd0_int]
type = ACInterface
variable = etad0
kappa_name = kappa
[]
[ed0_dot]
type = TimeDerivative
variable = etad0
[]
#Concentration
[c_dot]
type = TimeDerivative
variable = c
[]
[Diffusion]
type = MatDiffusion
variable = c
v = w
diffusivity = DchiVm
args = ''
[]
#The following relate chemical potential to composition using Eq. (22)
[w_rxn]
type = MatReaction
variable = w
v = c
mob_name = -1
[]
[ca_rxn]
type = MatReaction
variable = w
mob_name = 'hoverk_a'
args = 'etaa0 etab0 etad0'
[]
[ca_bodyforce]
type = MaskedBodyForce
variable = w
mask = ha
coupled_variables = 'etaa0 etab0 etad0'
value = 0.1 #caeq
[]
[cb_rxn]
type = MatReaction
variable = w
mob_name = 'hoverk_b'
args = 'etaa0 etab0 etad0'
[]
[cb_bodyforce]
type = MaskedBodyForce
variable = w
mask = hb
coupled_variables = 'etaa0 etab0 etad0'
value = 0.9 #cbeq
[]
[cd_rxn]
type = MatReaction
variable = w
mob_name = 'hoverk_d'
args = 'etaa0 etab0 etad0'
[]
[cd_bodyforce]
type = MaskedBodyForce
variable = w
mask = hd
coupled_variables = 'etaa0 etab0 etad0'
value = 0.5 #cdeq
[]
[]
[Materials]
[ha_test]
type = SwitchingFunctionMultiPhaseMaterial
h_name = ha
all_etas = 'etaa0 etab0 etad0'
phase_etas = 'etaa0'
[]
[hb_test]
type = SwitchingFunctionMultiPhaseMaterial
h_name = hb
all_etas = 'etaa0 etab0 etad0'
phase_etas = 'etab0'
[]
[hd_test]
type = SwitchingFunctionMultiPhaseMaterial
h_name = hd
all_etas = 'etaa0 etab0 etad0'
phase_etas = 'etad0'
[]
[omegaa]
type = DerivativeParsedMaterial
coupled_variables = 'w'
property_name = omegaa
material_property_names = 'Vm ka caeq'
expression = '-0.5*w^2/Vm^2/ka-w/Vm*caeq'
derivative_order = 2
[]
[omegab]
type = DerivativeParsedMaterial
coupled_variables = 'w'
property_name = omegab
material_property_names = 'Vm kb cbeq'
expression = '-0.5*w^2/Vm^2/kb-w/Vm*cbeq'
derivative_order = 2
[]
[omegad]
type = DerivativeParsedMaterial
coupled_variables = 'w'
property_name = omegad
material_property_names = 'Vm kd cdeq'
expression = '-0.5*w^2/Vm^2/kd-w/Vm*cdeq'
derivative_order = 2
[]
[rhoa]
type = DerivativeParsedMaterial
coupled_variables = 'w'
property_name = rhoa
material_property_names = 'Vm ka caeq'
expression = 'w/Vm^2/ka + caeq/Vm'
derivative_order = 2
[]
[rhob]
type = DerivativeParsedMaterial
coupled_variables = 'w'
property_name = rhob
material_property_names = 'Vm kb cbeq'
expression = 'w/Vm^2/kb + cbeq/Vm'
derivative_order = 2
[]
[rhod]
type = DerivativeParsedMaterial
coupled_variables = 'w'
property_name = rhod
material_property_names = 'Vm kd cdeq'
expression = 'w/Vm^2/kd + cdeq/Vm'
derivative_order = 2
[]
[const]
type = GenericConstantMaterial
prop_names = 'kappa_c kappa L D Vm ka caeq kb cbeq kd cdeq gab gad gbd mu tgrad_corr_mult'
prop_values = '0 1 1.0 1.0 1.0 10.0 0.1 10.0 0.9 10.0 0.5 1.5 1.5 1.5 1.0 0.0'
[]
[Mobility]
type = DerivativeParsedMaterial
property_name = DchiVm
material_property_names = 'D chi Vm' #Factor of Vm is needed to evolve c instead of rho
expression = 'D*chi*Vm'
derivative_order = 2
[]
[chi]
type = DerivativeParsedMaterial
property_name = chi
material_property_names = 'Vm ha(etaa0,etab0,etad0) ka hb(etaa0,etab0,etad0) kb hd(etaa0,etab0,etad0) kd'
expression = '(ha/ka + hb/kb + hd/kd) / Vm^2'
coupled_variables = 'etaa0 etab0 etad0'
derivative_order = 2
[]
[hoverk_a]
type = DerivativeParsedMaterial
material_property_names = 'ha(etaa0,etab0,etad0) Vm ka'
property_name = hoverk_a
expression = 'ha / Vm / ka'
[]
[hoverk_b]
type = DerivativeParsedMaterial
material_property_names = 'hb(etaa0,etab0,etad0) Vm kb'
property_name = hoverk_b
expression = 'hb / Vm / kb'
[]
[hoverk_d]
type = DerivativeParsedMaterial
material_property_names = 'hd(etaa0,etab0,etad0) Vm kd'
property_name = hoverk_d
expression = 'hd / Vm / kd'
[]
[]
[Postprocessors]
[c_total]
type = ElementIntegralVariablePostprocessor
variable = c
[]
[]
[Executioner]
type = Transient
nl_max_its = 15
scheme = bdf2
solve_type = NEWTON
petsc_options_iname = -pc_type
petsc_options_value = asm
l_max_its = 15
l_tol = 1.0e-3
nl_rel_tol = 1.0e-8
start_time = 0.0
num_steps = 20
nl_abs_tol = 1e-10
dt = 1.0
[]
[Outputs]
csv = true
exodus = true
[]
(modules/chemical_reactions/test/tests/aqueous_equilibrium/1species_without_action.i)
# Simple equilibrium reaction example.
# This simulation is identical to 1species.i, but explicitly includes the AuxVariables,
# AuxKernels, and Kernels that the action in 1species.i adds
[Mesh]
type = GeneratedMesh
dim = 2
nx = 10
[]
[Variables]
[./a]
order = FIRST
family = LAGRANGE
[./InitialCondition]
type = BoundingBoxIC
x1 = 0.0
y1 = 0.0
x2 = 1e-2
y2 = 1
inside = 1.0e-2
outside = 1.0e-10
variable = a
[../]
[../]
[]
[AuxVariables]
[./pressure]
order = FIRST
family = LAGRANGE
[../]
[./pa2]
[../]
[]
[AuxKernels]
[./pa2eq]
type = AqueousEquilibriumRxnAux
variable = pa2
v = a
sto_v = 2
log_k = 1
[../]
[]
[ICs]
[./pressure]
type = FunctionIC
variable = pressure
function = 2-x
[../]
[]
[Kernels]
[./a_ie]
type = PrimaryTimeDerivative
variable = a
[../]
[./a_diff]
type = PrimaryDiffusion
variable = a
[../]
[./a_conv]
type = PrimaryConvection
variable = a
p = pressure
[../]
[./aeq]
type = CoupledBEEquilibriumSub
variable = a
log_k = 1
weight = 2
sto_u = 2
[../]
[./adiff]
type = CoupledDiffusionReactionSub
variable = a
log_k = 1
weight = 2
sto_u = 2
[../]
[./aconv]
type = CoupledConvectionReactionSub
variable = a
log_k = 1
weight = 2
sto_u = 2
p = pressure
[../]
[]
[BCs]
[./a_right]
type = ChemicalOutFlowBC
variable = a
boundary = right
[../]
[]
[Materials]
[./porous]
type = GenericConstantMaterial
prop_names = 'diffusivity conductivity porosity'
prop_values = '1e-4 1e-4 0.2'
[../]
[]
[Executioner]
type = Transient
solve_type = PJFNK
petsc_options_iname = '-pc_type -pc_hypre_type'
petsc_options_value = 'hypre boomeramg'
nl_abs_tol = 1e-12
start_time = 0.0
end_time = 100
dt = 10.0
[]
[Outputs]
file_base = 1species_out
exodus = true
perf_graph = true
print_linear_residuals = true
[]
[Preconditioning]
[./smp]
type = SMP
full = true
[../]
[]
(test/tests/indicators/value_jump_indicator/value_jump_indicator_fv.i)
[Mesh]
[mesh]
type = GeneratedMeshGenerator
dim = 2
nx = 10
ny = 10
[]
[]
[Adaptivity]
[Indicators]
[error]
type = ValueJumpIndicator
variable = something
[]
[]
[]
[Variables]
[u]
order = CONSTANT
family = MONOMIAL
fv = true
[]
[]
[ICs]
[leftright]
type = BoundingBoxIC
variable = something
inside = 1
y2 = 1
y1 = 0
x2 = 0.5
x1 = 0
[]
[]
[AuxVariables]
[something]
order = CONSTANT
family = MONOMIAL
[]
[]
[FVKernels]
[diff]
type = FVDiffusion
variable = u
coeff = coeff
[]
[]
[Materials]
[diff]
type = ADGenericFunctorMaterial
prop_names = 'coeff'
prop_values = '1'
[]
[]
[FVBCs]
[left]
type = FVDirichletBC
variable = u
boundary = 'left'
value = 0
[]
[right]
type = FVDirichletBC
variable = u
boundary = 'right'
value = 1
[]
[]
[Executioner]
type = Steady
solve_type = Newton
[]
[Outputs]
exodus = true
[]
(modules/phase_field/test/tests/rigidbodymotion/update_orientation.i)
# test file for applyting advection term and observing rigid body motion of grains
[Mesh]
type = GeneratedMesh
dim = 2
nx = 25
ny = 15
nz = 0
xmax = 50
ymax = 25
zmax = 0
elem_type = QUAD4
[]
[Variables]
[./c]
order = FIRST
family = LAGRANGE
[../]
[./w]
order = FIRST
family = LAGRANGE
[../]
[./eta]
order = FIRST
family = LAGRANGE
[../]
[]
[Kernels]
[./c_res]
type = SplitCHParsed
variable = c
f_name = F
kappa_name = kappa_c
w = w
coupled_variables = eta
[../]
[./w_res]
type = SplitCHWRes
variable = w
mob_name = M
[../]
[./time]
type = CoupledTimeDerivative
variable = w
v = c
[../]
[./motion]
type = MultiGrainRigidBodyMotion
variable = w
c = c
v = eta
grain_tracker_object = grain_center
grain_force = grain_force
grain_volumes = grain_volumes
[../]
[./eta_dot]
type = TimeDerivative
variable = eta
[../]
[./vadv_eta]
type = SingleGrainRigidBodyMotion
variable = eta
c = c
v = eta
grain_tracker_object = grain_center
grain_force = grain_force
grain_volumes = grain_volumes
[../]
[./acint_eta]
type = ACInterface
variable = eta
mob_name = M
coupled_variables = c
kappa_name = kappa_eta
[../]
[./acbulk_eta]
type = AllenCahn
variable = eta
mob_name = M
f_name = F
coupled_variables = c
[../]
[]
[Materials]
[./pfmobility]
type = GenericConstantMaterial
prop_names = 'M kappa_c kappa_eta'
prop_values = '5.0 2.0 0.1'
[../]
[./free_energy]
type = DerivativeParsedMaterial
coupled_variables = 'c eta'
constant_names = 'barr_height cv_eq'
constant_expressions = '0.1 1.0e-2'
expression = 16*barr_height*(c-cv_eq)^2*(1-cv_eq-c)^2+(c-eta)^2
derivative_order = 2
[../]
[]
[AuxVariables]
[./unique_grains]
order = CONSTANT
family = MONOMIAL
[../]
[./var_indices]
order = CONSTANT
family = MONOMIAL
[../]
[./centroids]
order = CONSTANT
family = MONOMIAL
[../]
[./vadv_x]
order = CONSTANT
family = MONOMIAL
[../]
[./vadv_y]
order = CONSTANT
family = MONOMIAL
[../]
[./angle_initial]
order = CONSTANT
family = MONOMIAL
[../]
[./euler_angle]
order = CONSTANT
family = MONOMIAL
[../]
[]
[AuxKernels]
[./unique_grains]
type = FeatureFloodCountAux
variable = unique_grains
flood_counter = grain_center
field_display = UNIQUE_REGION
execute_on = timestep_begin
[../]
[./var_indices]
type = FeatureFloodCountAux
variable = var_indices
flood_counter = grain_center
field_display = VARIABLE_COLORING
execute_on = timestep_begin
[../]
[./centroids]
type = FeatureFloodCountAux
variable = centroids
execute_on = timestep_begin
field_display = CENTROID
flood_counter = grain_center
[../]
[./vadv_x]
type = GrainAdvectionAux
grain_force = grain_force
grain_volumes = grain_volumes
grain_tracker_object = grain_center
execute_on = timestep_begin
component = x
variable = vadv_x
[../]
[./vadv_y]
type = GrainAdvectionAux
grain_force = grain_force
grain_volumes = grain_volumes
grain_tracker_object = grain_center
execute_on = timestep_begin
component = y
variable = vadv_y
[../]
[./angle_initial]
type = OutputEulerAngles
variable = angle_initial
euler_angle_provider = euler_angle_initial
grain_tracker = grain_center
output_euler_angle = phi2
execute_on = timestep_begin
[../]
[./angle]
type = OutputEulerAngles
variable = euler_angle
euler_angle_provider = euler_angle
grain_tracker = grain_center
output_euler_angle = phi2
execute_on = timestep_begin
[../]
[]
[VectorPostprocessors]
[./forces]
type = GrainForcesPostprocessor
grain_force = grain_force
[../]
[./grain_volumes]
type = FeatureVolumeVectorPostprocessor
flood_counter = grain_center
execute_on = 'initial timestep_begin'
[../]
[]
[UserObjects]
[./grain_center]
type = GrainTracker
variable = eta
outputs = none
compute_var_to_feature_map = true
execute_on = 'initial timestep_begin'
[../]
[./grain_force]
type = ConstantGrainForceAndTorque
execute_on = 'initial timestep_begin linear nonlinear'
force = '0.5 0.0 0.0 '
torque = '0.0 0.0 10.0'
[../]
[./euler_angle_initial]
type = RandomEulerAngleProvider
grain_tracker_object = grain_center
execute_on = 'initial timestep_begin'
[../]
[./euler_angle]
type = EulerAngleUpdater
grain_tracker_object = grain_center
euler_angle_provider = euler_angle_initial
grain_torques_object = grain_force
grain_volumes = grain_volumes
execute_on = timestep_begin
[../]
[]
[Preconditioning]
[./SMP]
type = SMP
full = true
[../]
[]
[Executioner]
type = Transient
scheme = bdf2
solve_type = NEWTON
petsc_options_iname = '-pc_type -ksp_gmres_restart -sub_ksp_type -sub_pc_type -pc_asm_overlap'
petsc_options_value = 'asm 31 preonly lu 1'
nl_max_its = 30
l_max_its = 30
l_tol = 1.0e-4
nl_rel_tol = 1.0e-10
start_time = 0.0
dt = 0.2
num_steps = 5
[]
[Outputs]
exodus = true
[]
[ICs]
[./rect_c]
y2 = 20.0
y1 = 5.0
inside = 1.0
x2 = 30.0
variable = c
x1 = 10.0
type = BoundingBoxIC
[../]
[./rect_eta]
y2 = 20.0
y1 = 5.0
inside = 1.0
x2 = 30.0
variable = eta
x1 = 10.0
type = BoundingBoxIC
[../]
[]
(modules/phase_field/test/tests/feature_volume_vpp_test/centroid.i)
[Mesh]
type = GeneratedMesh
dim = 2
nx = 25
ny = 15
nz = 0
xmax = 50
ymax = 25
zmax = 0
elem_type = QUAD4
[]
[Variables]
[c]
[]
[w]
[]
[eta]
[]
[]
[ICs]
[rect_c]
y2 = 20.0
y1 = 5.0
inside = 1.0
x2 = 30.0
variable = c
x1 = 10.0
type = BoundingBoxIC
[]
[rect_eta]
y2 = 20.0
y1 = 5.0
inside = 1.0
x2 = 30.0
variable = eta
x1 = 10.0
type = BoundingBoxIC
[]
[]
[Kernels]
[c_res]
type = SplitCHParsed
variable = c
f_name = F
kappa_name = kappa_c
w = w
coupled_variables = eta
[]
[w_res]
type = SplitCHWRes
variable = w
mob_name = M
[]
[time]
type = CoupledTimeDerivative
variable = w
v = c
[]
[eta_dot]
type = TimeDerivative
variable = eta
[]
[acint_eta]
type = ACInterface
variable = eta
mob_name = M
coupled_variables = c
kappa_name = kappa_eta
[]
[acbulk_eta]
type = AllenCahn
variable = eta
mob_name = M
f_name = F
coupled_variables = c
[]
[]
[Materials]
[pfmobility]
type = GenericConstantMaterial
prop_names = 'M kappa_c kappa_eta'
prop_values = '5.0 2.0 0.1'
[]
[free_energy]
type = DerivativeParsedMaterial
coupled_variables = 'c eta'
constant_names = 'barr_height cv_eq'
constant_expressions = '0.1 1.0e-2'
expression = 16*barr_height*(c-cv_eq)^2*(1-cv_eq-c)^2+(c-eta)^2
derivative_order = 2
[]
[]
[Postprocessors]
[grain_center]
type = GrainTracker
variable = eta
outputs = none
compute_var_to_feature_map = true
execute_on = 'timestep_begin'
[]
[]
[VectorPostprocessors]
[grain_volumes]
type = FeatureVolumeVectorPostprocessor
flood_counter = grain_center
execute_on = 'timestep_begin'
output_centroids = true
[]
[]
[Executioner]
type = Transient
solve_type = NEWTON
dt = 0.2
num_steps = 4
[]
[Outputs]
csv = true
[]
(modules/chemical_reactions/test/tests/aqueous_equilibrium/2species_without_action.i)
# Simple equilibrium reaction example to illustrate the use of the AqueousEquilibriumReactions
# action.
# In this example, two primary species a and b are transported by diffusion and convection
# from the left of the porous medium, reacting to form two equilibrium species pa2 and pab
# according to the equilibrium reaction specified in the AqueousEquilibriumReactions block as:
#
# reactions = '2a = pa2 2
# a + b = pab -2'
#
# where the 2 is the weight of the equilibrium species, the 2 on the RHS of the first reaction
# refers to the equilibrium constant (log10(Keq) = 2), and the -2 on the RHS of the second
# reaction equates to log10(Keq) = -2.
#
# This example is identical to 2species.i, except that it explicitly includes all AuxKernels
# and Kernels that are set up by the action in 2species.i
[Mesh]
type = GeneratedMesh
dim = 2
nx = 10
[]
[Variables]
[./a]
order = FIRST
family = LAGRANGE
[./InitialCondition]
type = BoundingBoxIC
x1 = 0.0
y1 = 0.0
x2 = 1.0e-10
y2 = 1
inside = 1.0e-2
outside = 1.0e-10
[../]
[../]
[./b]
order = FIRST
family = LAGRANGE
[./InitialCondition]
type = BoundingBoxIC
x1 = 0.0
y1 = 0.0
x2 = 1.0e-10
y2 = 1
inside = 1.0e-2
outside = 1.0e-10
[../]
[../]
[]
[AuxVariables]
[./pressure]
order = FIRST
family = LAGRANGE
[../]
[./pa2]
[../]
[./pab]
[../]
[]
[AuxKernels]
[./pa2eq]
type = AqueousEquilibriumRxnAux
variable = pa2
v = a
sto_v = 2
log_k = 2
[../]
[./pabeq]
type = AqueousEquilibriumRxnAux
variable = pab
v = 'a b'
sto_v = '1 1'
log_k = -2
[../]
[]
[ICs]
[./pressure]
type = FunctionIC
variable = pressure
function = 2-x
[../]
[]
[Kernels]
[./a_ie]
type = PrimaryTimeDerivative
variable = a
[../]
[./a_diff]
type = PrimaryDiffusion
variable = a
[../]
[./a_conv]
type = PrimaryConvection
variable = a
p = pressure
[../]
[./b_ie]
type = PrimaryTimeDerivative
variable = b
[../]
[./b_diff]
type = PrimaryDiffusion
variable = b
[../]
[./b_conv]
type = PrimaryConvection
variable = b
p = pressure
[../]
[./a1eq]
type = CoupledBEEquilibriumSub
variable = a
log_k = 2
weight = 2
sto_u = 2
[../]
[./a1diff]
type = CoupledDiffusionReactionSub
variable = a
log_k = 2
weight = 2
sto_u = 2
[../]
[./a1conv]
type = CoupledConvectionReactionSub
variable = a
log_k = 2
weight = 2
sto_u = 2
p = pressure
[../]
[./a2eq]
type = CoupledBEEquilibriumSub
variable = a
v = b
log_k = -2
weight = 1
sto_v = 1
sto_u = 1
[../]
[./a2diff]
type = CoupledDiffusionReactionSub
variable = a
v = b
log_k = -2
weight = 1
sto_v = 1
sto_u = 1
[../]
[./a2conv]
type = CoupledConvectionReactionSub
variable = a
v = b
log_k = -2
weight = 1
sto_v = 1
sto_u = 1
p = pressure
[../]
[./b2eq]
type = CoupledBEEquilibriumSub
variable = b
v = a
log_k = -2
weight = 1
sto_v = 1
sto_u = 1
[../]
[./b2diff]
type = CoupledDiffusionReactionSub
variable = b
v = a
log_k = -2
weight = 1
sto_v = 1
sto_u = 1
[../]
[./b2conv]
type = CoupledConvectionReactionSub
variable = b
v = a
log_k = -2
weight = 1
sto_v = 1
sto_u = 1
p = pressure
[../]
[]
[BCs]
[./a_left]
type = DirichletBC
variable = a
boundary = left
value = 1.0e-2
[../]
[./a_right]
type = ChemicalOutFlowBC
variable = a
boundary = right
[../]
[./b_left]
type = DirichletBC
variable = b
boundary = left
value = 1.0e-2
[../]
[./b_right]
type = ChemicalOutFlowBC
variable = b
boundary = right
[../]
[]
[Materials]
[./porous]
type = GenericConstantMaterial
prop_names = 'diffusivity conductivity porosity'
prop_values = '1e-4 1e-4 0.2'
[../]
[]
[Executioner]
type = Transient
solve_type = PJFNK
petsc_options_iname = '-pc_type -pc_hypre_type'
petsc_options_value = 'hypre boomeramg'
nl_abs_tol = 1e-12
start_time = 0.0
end_time = 100
dt = 10.0
[]
[Outputs]
file_base = 2species_out
exodus = true
perf_graph = true
print_linear_residuals = true
[]
[Preconditioning]
[./smp]
type = SMP
full = true
[../]
[]
(modules/porous_flow/test/tests/chemistry/2species_equilibrium_2phase.i)
# Using a two-phase system (see 2species_equilibrium for the single-phase)
# The saturations, porosity, mass fractions, tortuosity and diffusion coefficients are chosen so that the results are identical to 2species_equilibrium
#
# PorousFlow analogy of chemical_reactions/test/tests/aqueous_equilibrium/2species.i
#
# Simple equilibrium reaction example to illustrate the use of PorousFlowMassFractionAqueousEquilibriumChemistry
#
# In this example, two primary species a and b are transported by diffusion and convection
# from the left of the porous medium, reacting to form two equilibrium species pa2 and pab
# according to the equilibrium reaction:
#
# reactions = '2a = pa2 rate = 10^2
# a + b = pab rate = 10^-2'
#
[Mesh]
type = GeneratedMesh
dim = 2
nx = 10
[]
[Variables]
[a]
order = FIRST
family = LAGRANGE
[InitialCondition]
type = BoundingBoxIC
x1 = 0.0
y1 = 0.0
x2 = 1.0e-10
y2 = 1
inside = 1.0e-2
outside = 1.0e-10
[]
[]
[b]
order = FIRST
family = LAGRANGE
[InitialCondition]
type = BoundingBoxIC
x1 = 0.0
y1 = 0.0
x2 = 1.0e-10
y2 = 1
inside = 1.0e-2
outside = 1.0e-10
[]
[]
[]
[AuxVariables]
[eqm_k0]
initial_condition = 1E2
[]
[eqm_k1]
initial_condition = 1E-2
[]
[pressure0]
[]
[saturation1]
initial_condition = 0.25
[]
[a_in_phase0]
initial_condition = 0.0
[]
[b_in_phase0]
initial_condition = 0.0
[]
[pa2]
family = MONOMIAL
order = CONSTANT
[]
[pab]
family = MONOMIAL
order = CONSTANT
[]
[]
[AuxKernels]
[pa2]
type = PorousFlowPropertyAux
property = secondary_concentration
secondary_species = 0
variable = pa2
[]
[pab]
type = PorousFlowPropertyAux
property = secondary_concentration
secondary_species = 1
variable = pab
[]
[]
[ICs]
[pressure0]
type = FunctionIC
variable = pressure0
function = 2-x
[]
[]
[GlobalParams]
PorousFlowDictator = dictator
gravity = '0 0 0'
[]
[Kernels]
[mass_a]
type = PorousFlowMassTimeDerivative
fluid_component = 0
variable = a
[]
[flux_a]
type = PorousFlowAdvectiveFlux
variable = a
fluid_component = 0
[]
[diff_a]
type = PorousFlowDispersiveFlux
variable = a
fluid_component = 0
disp_trans = '0 0'
disp_long = '0 0'
[]
[mass_b]
type = PorousFlowMassTimeDerivative
fluid_component = 1
variable = b
[]
[flux_b]
type = PorousFlowAdvectiveFlux
variable = b
fluid_component = 1
[]
[diff_b]
type = PorousFlowDispersiveFlux
variable = b
fluid_component = 1
disp_trans = '0 0'
disp_long = '0 0'
[]
[]
[UserObjects]
[dictator]
type = PorousFlowDictator
porous_flow_vars = 'a b'
number_fluid_phases = 2
number_fluid_components = 3
number_aqueous_equilibrium = 2
aqueous_phase_number = 1
[]
[pc]
type = PorousFlowCapillaryPressureConst
[]
[]
[FluidProperties]
[simple_fluid]
type = SimpleFluidProperties
bulk_modulus = 2e9 # huge, so mimic chemical_reactions
density0 = 1000
thermal_expansion = 0
viscosity = 1e-3
[]
[]
[Materials]
[temperature]
type = PorousFlowTemperature
[]
[ppss]
type = PorousFlow2PhasePS
capillary_pressure = pc
phase0_porepressure = pressure0
phase1_saturation = saturation1
[]
[massfrac]
type = PorousFlowMassFractionAqueousEquilibriumChemistry
mass_fraction_vars = 'a_in_phase0 b_in_phase0 a b'
num_reactions = 2
equilibrium_constants = 'eqm_k0 eqm_k1'
primary_activity_coefficients = '1 1'
secondary_activity_coefficients = '1 1'
reactions = '2 0
1 1'
[]
[simple_fluid0]
type = PorousFlowSingleComponentFluid
fp = simple_fluid
phase = 0
[]
[simple_fluid1]
type = PorousFlowSingleComponentFluid
fp = simple_fluid
phase = 1
[]
[porosity]
type = PorousFlowPorosityConst
porosity = 0.8
[]
[permeability]
type = PorousFlowPermeabilityConst
# porous_flow permeability / porous_flow viscosity = chemical_reactions conductivity = 1E-4
permeability = '1E-7 0 0 0 1E-7 0 0 0 1E-7'
[]
[relp0]
type = PorousFlowRelativePermeabilityConst
phase = 0
[]
[relp1]
type = PorousFlowRelativePermeabilityConst
phase = 1
[]
[diff]
type = PorousFlowDiffusivityConst
# porous_flow diffusion_coeff * tortuousity * porosity = chemical_reactions diffusivity = 1E-4
diffusion_coeff = '5E-4 5E-4 5E-4
5E-4 5E-4 5E-4'
tortuosity = '0.25 0.25'
[]
[]
[BCs]
[a_left]
type = DirichletBC
variable = a
boundary = left
value = 1.0e-2
[]
[b_left]
type = DirichletBC
variable = b
boundary = left
value = 1.0e-2
[]
[]
[Preconditioning]
[smp]
type = SMP
full = true
[]
[]
[Executioner]
type = Transient
solve_type = Newton
dt = 10
end_time = 100
[]
[Outputs]
print_linear_residuals = true
exodus = true
perf_graph = true
[]
(modules/phase_field/test/tests/phase_field_kernels/ADnonuniform_barrier_coefficient.i)
# This material tests the kernels ACBarrierFunction and ACKappaFunction for a
# multiphase system.
[Mesh]
type = GeneratedMesh
dim = 2
nx = 20
ny = 20
xmin = -200
xmax = 200
ymin = -200
ymax = 200
uniform_refine = 0
[]
[Variables]
[./gr0]
[../]
[./gr1]
[../]
[]
[ICs]
[./gr0_IC]
type = BoundingBoxIC
variable = gr0
x1 = -80
y1 = -80
x2 = 80
y2 = 80
inside = 0
outside = 1
[../]
[./gr1_IC]
type = BoundingBoxIC
variable = gr1
x1 = -80
y1 = -80
x2 = 80
y2 = 80
inside = 1
outside = 0
[../]
[]
[Materials]
[./constants]
type = ADGenericConstantMaterial
prop_names = 'L gamma E0 E1'
prop_values = '0.1 1.5 3 1'
[../]
[./h0]
type = ADDerivativeParsedMaterial
f_name = h0
args = 'gr0 gr1'
function = 'gr0^2 / (gr0^2 + gr1^2)'
derivative_order = 2
[../]
[./h1]
type = ADDerivativeParsedMaterial
f_name = h1
args = 'gr0 gr1'
function = 'gr1^2 / (gr0^2 + gr1^2)'
derivative_order = 2
[../]
[./mu]
type = ADDerivativeParsedMaterial
f_name = mu
args = 'gr0 gr1'
constant_names = 'mag'
constant_expressions = '16'
function = 'mag * (gr0^2 * gr1^2 + 0.1)'
derivative_order = 2
[../]
[./kappa]
type = ADDerivativeParsedMaterial
f_name = kappa
args = 'gr0 gr1'
material_property_names = 'h0(gr0,gr1) h1(gr0,gr1)'
constant_names = 'mag0 mag1'
constant_expressions = '200 100'
function = 'h0*mag0 + h1*mag1'
derivative_order = 2
[../]
[]
[Kernels]
[./gr0_time]
type = ADTimeDerivative
variable = gr0
[../]
[./gr0_interface]
type = ADACInterface
variable = gr0
args = 'gr1'
mob_name = L
kappa_name = 'kappa'
variable_L = false
[../]
[./gr0_switching]
type = ADACSwitching
variable = gr0
hj_names = 'h0 h1'
Fj_names = 'E0 E1'
mob_name = L
[../]
[./gr0_multi]
type = ADACGrGrMulti
variable = gr0
v = 'gr1'
mob_name = L
gamma_names = 'gamma'
[../]
[./gr0_barrier]
type = ADACBarrierFunction
variable = gr0
mob_name = L
gamma = gamma
v = 'gr1'
[../]
[./gr0_kappa]
type = ADACKappaFunction
variable = gr0
mob_name = L
kappa_name = kappa
v = 'gr1'
[../]
[./gr1_time]
type = ADTimeDerivative
variable = gr1
[../]
[./gr1_interface]
type = ADACInterface
variable = gr1
args = 'gr0'
mob_name = L
kappa_name = 'kappa'
variable_L = false
[../]
[./gr1_switching]
type = ADACSwitching
variable = gr1
hj_names = 'h0 h1'
Fj_names = 'E0 E1'
mob_name = L
[../]
[./gr1_multi]
type = ADACGrGrMulti
variable = gr1
v = 'gr0'
mob_name = L
gamma_names = 'gamma'
[../]
[./gr1_barrier]
type = ADACBarrierFunction
variable = gr1
mob_name = L
gamma = gamma
v = 'gr0'
[../]
[./gr1_kappa]
type = ADACKappaFunction
variable = gr1
mob_name = L
kappa_name = kappa
v = 'gr0'
[../]
[]
[Preconditioning]
[./SMP]
type = SMP
full = true
[../]
[]
[Executioner]
type = Transient
scheme = bdf2
solve_type = NEWTON
petsc_options_iname = '-pc_type '
petsc_options_value = ' lu '
nl_max_its = 20
l_max_its = 30
l_tol = 1e-4
nl_rel_tol = 1e-12
nl_abs_tol = 1e-12
start_time = 0
num_steps = 3
dt = 1
[]
[Outputs]
exodus = true
file_base = nonuniform_barrier_coefficient_out
[]
(modules/phase_field/test/tests/actions/gpm_kernel.i)
[Mesh]
type = GeneratedMesh
dim = 1
nx = 100
xmin = 0
xmax = 300
[]
[GlobalParams]
op_num = 1
var_name_base = eta
[]
[Variables]
[./w]
[../]
[./phi]
[../]
[./eta0]
[../]
[]
[AuxVariables]
[./bnds]
[../]
[]
[ICs]
[./IC_w]
type = BoundingBoxIC
variable = w
x1 = 150
x2 = 300
y1 = 0
y2 = 0
inside = 0.1
outside = 0
[../]
[./IC_phi]
type = BoundingBoxIC
variable = phi
x1 = 0
x2 = 150
y1 = 0
y2 = 0
inside = 1
outside = 0
[../]
[./IC_eta0]
type = BoundingBoxIC
variable = eta0
x1 = 150
x2 = 300
y1 = 0
y2 = 0
inside = 1
outside = 0
[../]
[]
[AuxKernels]
[./bnds_aux]
type = BndsCalcAux
variable = bnds
[../]
[]
[Modules]
[./PhaseField]
[./GrandPotential]
switching_function_names = 'hb hm'
chemical_potentials = 'w'
anisotropic = 'false'
mobilities = 'chiD'
susceptibilities = 'chi'
free_energies_w = 'rhob rhom'
gamma_gr = gamma
mobility_name_gr = L
kappa_gr = kappa
free_energies_gr = 'omegab omegam'
additional_ops = 'phi'
gamma_grxop = gamma
mobility_name_op = L_phi
kappa_op = kappa
free_energies_op = 'omegab omegam'
[../]
[../]
[]
[Materials]
#REFERENCES
[./constants]
type = GenericConstantMaterial
prop_names = 'Va cb_eq cm_eq kb km mu gamma L L_phi kappa kB'
prop_values = '0.04092 1.0 1e-5 1400 140 1.5 1.5 5.3e+3 2.3e+4 295.85 8.6173324e-5'
[../]
#SWITCHING FUNCTIONS
[./switchb]
type = SwitchingFunctionMultiPhaseMaterial
h_name = hb
all_etas = 'phi eta0'
phase_etas = 'phi'
[../]
[./switchm]
type = SwitchingFunctionMultiPhaseMaterial
h_name = hm
all_etas = 'phi eta0'
phase_etas = 'eta0'
[../]
[./omegab]
type = DerivativeParsedMaterial
property_name = omegab
coupled_variables = 'w phi'
material_property_names = 'Va kb cb_eq'
expression = '-0.5*w^2/Va^2/kb - w/Va*cb_eq'
derivative_order = 2
[../]
[./omegam]
type = DerivativeParsedMaterial
property_name = omegam
coupled_variables = 'w eta0'
material_property_names = 'Va km cm_eq'
expression = '-0.5*w^2/Va^2/km - w/Va*cm_eq'
derivative_order = 2
[../]
[./chi]
type = DerivativeParsedMaterial
property_name = chi
coupled_variables = 'w'
material_property_names = 'Va hb hm kb km'
expression = '(hm/km + hb/kb)/Va^2'
derivative_order = 2
[../]
#DENSITIES/CONCENTRATION
[./rhob]
type = DerivativeParsedMaterial
property_name = rhob
coupled_variables = 'w'
material_property_names = 'Va kb cb_eq'
expression = 'w/Va^2/kb + cb_eq/Va'
derivative_order = 1
[../]
[./rhom]
type = DerivativeParsedMaterial
property_name = rhom
coupled_variables = 'w eta0'
material_property_names = 'Va km cm_eq(eta0)'
expression = 'w/Va^2/km + cm_eq/Va'
derivative_order = 1
[../]
[./concentration]
type = ParsedMaterial
property_name = c
material_property_names = 'rhom hm rhob hb Va'
expression = 'Va*(hm*rhom + hb*rhob)'
outputs = exodus
[../]
[./mobility]
type = DerivativeParsedMaterial
material_property_names = 'chi kB'
constant_names = 'T Em D0'
constant_expressions = '1400 2.4 1.25e2'
property_name = chiD
expression = 'chi*D0*exp(-Em/kB/T)'
[../]
[]
[Preconditioning]
[./SMP]
type = SMP
full = true
[../]
[]
[Executioner]
type = Transient
scheme = bdf2
solve_type = NEWTON
petsc_options_iname = '-pc_type -sub_pc_type -pc_asm_overlap -ksp_gmres_restart -sub_ksp_type'
petsc_options_value = ' asm lu 1 31 preonly'
nl_max_its = 20
l_max_its = 30
l_tol = 1e-4
nl_rel_tol = 1e-7
nl_abs_tol = 1e-7
start_time = 0
dt = 2e-5
num_steps = 3
[]
[Outputs]
exodus = true
[]
(modules/phase_field/test/tests/actions/both_split_2vars.i)
[Mesh]
type = GeneratedMesh
dim = 2
nx = 28
ny = 20
xmin = 10
xmax = 40
ymin = 15
ymax = 35
elem_type = QUAD
[]
[Modules]
[./PhaseField]
[./Conserved]
[./c]
free_energy = F
mobility = 1.0
kappa = 20.0
coupled_variables = 'eta'
solve_type = REVERSE_SPLIT
[../]
[../]
[./Nonconserved]
[./eta]
free_energy = F
mobility = 1.0
kappa = 20
coupled_variables = 'c'
[../]
[../]
[../]
[]
[ICs]
[./c_IC]
type = BoundingBoxIC
variable = c
x1 = 10
x2 = 25
y1 = 15
y2 = 35
inside = 0.15
outside = 0.85
[../]
[./eta_IC]
type = ConstantIC
variable = eta
value = 0.5
[../]
[]
[Materials]
[./free_energy]
type = DerivativeParsedMaterial
property_name = F
coupled_variables = 'eta c'
expression = '(1 - eta)*10.0*(c - 0.1)^2 + eta*(8.0*(c - 0.9)^2) + 10.0*eta^2*(1-eta)^2'
outputs = exodus
[../]
[]
[Preconditioning]
[./SMP]
type = SMP
full = true
[../]
[]
[Executioner]
type = Transient
scheme = 'bdf2'
solve_type = 'NEWTON'
petsc_options_iname = '-pc_type -sub_pc_type'
petsc_options_value = 'asm lu'
l_max_its = 15
l_tol = 1.0e-4
nl_max_its = 10
nl_rel_tol = 1.0e-11
start_time = 0.0
num_steps = 10
dt = 0.05
[]
[Outputs]
perf_graph = true
exodus = true
[]
(modules/chemical_reactions/test/tests/aqueous_equilibrium/1species.i)
# Simple equilibrium reaction example to illustrate the use of the AqueousEquilibriumReactions
# action.
# In this example, a single primary species a is transported by diffusion and convection
# from the left of the porous medium, reacting to form an equilibrium species pa2 according to
# the equilibrium reaction specified in the AqueousEquilibriumReactions block as:
#
# reactions = '2a = pa2 1'
#
# where the 2 is the weight of the equilibrium species, and the 1 refers to the equilibrium
# constant (log10(Keq) = 1).
#
# The AqueousEquilibriumReactions action creates all the required kernels and auxkernels
# to compute the reaction given by the above equilibrium reaction equation.
#
# Specifically, it adds to following:
# * An AuxVariable named 'pa2' (given in the reactions equations)
# * A AqueousEquilibriumRxnAux AuxKernel for this AuxVariable with all parameters
# * A CoupledBEEquilibriumSub Kernel for each primary species with all parameters
# * A CoupledDiffusionReactionSub Kernel for each primary species with all parameters
# * A CoupledConvectionReactionSub Kernel for each primary species with all parameters if
# pressure is a coupled variable
[Mesh]
type = GeneratedMesh
dim = 2
nx = 10
[]
[Variables]
[./a]
order = FIRST
family = LAGRANGE
[./InitialCondition]
type = BoundingBoxIC
x1 = 0.0
y1 = 0.0
x2 = 1e-2
y2 = 1
inside = 1.0e-2
outside = 1.0e-10
variable = a
[../]
[../]
[]
[AuxVariables]
[./pressure]
order = FIRST
family = LAGRANGE
[../]
[]
[ICs]
[./pressure]
type = FunctionIC
variable = pressure
function = 2-x
[../]
[]
[ReactionNetwork]
[./AqueousEquilibriumReactions]
primary_species = a
reactions = '2a = pa2 1'
secondary_species = pa2
pressure = pressure
[../]
[]
[Kernels]
[./a_ie]
type = PrimaryTimeDerivative
variable = a
[../]
[./a_diff]
type = PrimaryDiffusion
variable = a
[../]
[./a_conv]
type = PrimaryConvection
variable = a
p = pressure
[../]
[]
[BCs]
[./a_right]
type = ChemicalOutFlowBC
variable = a
boundary = right
[../]
[]
[Materials]
[./porous]
type = GenericConstantMaterial
prop_names = 'diffusivity conductivity porosity'
prop_values = '1e-4 1e-4 0.2'
[../]
[]
[Executioner]
type = Transient
solve_type = PJFNK
petsc_options_iname = '-pc_type -pc_hypre_type'
petsc_options_value = 'hypre boomeramg'
nl_abs_tol = 1e-12
start_time = 0.0
end_time = 100
dt = 10.0
[]
[Outputs]
file_base = 1species_out
exodus = true
perf_graph = true
print_linear_residuals = true
[]
[Preconditioning]
[./smp]
type = SMP
full = true
[../]
[]
(modules/chemical_reactions/test/tests/parser/equilibrium_action.i)
# Test AqueousEquilibriumReactions parser
[Mesh]
type = GeneratedMesh
dim = 2
[]
[Variables]
[./a]
[../]
[./b]
[../]
[]
[AuxVariables]
[./pressure]
[../]
[]
[ICs]
[./a]
type = BoundingBoxIC
variable = a
x1 = 0.0
y1 = 0.0
x2 = 1.0e-10
y2 = 1
inside = 1.0e-2
outside = 1.0e-10
[../]
[./b]
type = BoundingBoxIC
variable = b
x1 = 0.0
y1 = 0.0
x2 = 1.0e-10
y2 = 1
inside = 1.0e-2
outside = 1.0e-10
[../]
[./pressure]
type = FunctionIC
variable = pressure
function = 2-x
[../]
[]
[ReactionNetwork]
[./AqueousEquilibriumReactions]
primary_species = 'a b'
reactions = '2a = pa2 2,
(1.0)a + (1.0)b = pab -2'
secondary_species = 'pa2 pab'
pressure = pressure
[../]
[]
[Kernels]
[./a_ie]
type = PrimaryTimeDerivative
variable = a
[../]
[./a_diff]
type = PrimaryDiffusion
variable = a
[../]
[./a_conv]
type = PrimaryConvection
variable = a
p = pressure
[../]
[./b_ie]
type = PrimaryTimeDerivative
variable = b
[../]
[./b_diff]
type = PrimaryDiffusion
variable = b
[../]
[./b_conv]
type = PrimaryConvection
variable = b
p = pressure
[../]
[]
[BCs]
[./a_left]
type = DirichletBC
variable = a
boundary = left
value = 1.0e-2
[../]
[./a_right]
type = ChemicalOutFlowBC
variable = a
boundary = right
[../]
[./b_left]
type = DirichletBC
variable = b
boundary = left
value = 1.0e-2
[../]
[./b_right]
type = ChemicalOutFlowBC
variable = b
boundary = right
[../]
[]
[Materials]
[./porous]
type = GenericConstantMaterial
prop_names = 'diffusivity conductivity porosity'
prop_values = '1e-4 1e-4 0.2'
[../]
[]
[Executioner]
type = Transient
solve_type = PJFNK
nl_abs_tol = 1e-12
end_time = 10
dt = 10
[]
[Outputs]
file_base = equilibrium_out
exodus = true
perf_graph = true
print_linear_residuals = true
[]
[Preconditioning]
[./smp]
type = SMP
full = true
[../]
[]
(modules/chemical_reactions/test/tests/parser/equilibrium_without_action.i)
# Test AqueousEquilibriumReactions parser
[Mesh]
type = GeneratedMesh
dim = 2
[]
[Variables]
[./a]
[../]
[./b]
[../]
[]
[AuxVariables]
[./pressure]
[../]
[./pa2]
[../]
[./pab]
[../]
[]
[AuxKernels]
[./pa2]
type = AqueousEquilibriumRxnAux
variable = pa2
v = a
log_k = 2
sto_v = 2
[../]
[./pab]
type = AqueousEquilibriumRxnAux
variable = pab
v = 'a b'
log_k = -2
sto_v = '1 1'
[../]
[]
[ICs]
[./a]
type = BoundingBoxIC
variable = a
x1 = 0.0
y1 = 0.0
x2 = 1.0e-10
y2 = 1
inside = 1.0e-2
outside = 1.0e-10
[../]
[./b]
type = BoundingBoxIC
variable = b
x1 = 0.0
y1 = 0.0
x2 = 1.0e-10
y2 = 1
inside = 1.0e-2
outside = 1.0e-10
[../]
[./pressure]
type = FunctionIC
variable = pressure
function = 2-x
[../]
[]
[Kernels]
[./a_ie]
type = PrimaryTimeDerivative
variable = a
[../]
[./a_diff]
type = PrimaryDiffusion
variable = a
[../]
[./a_conv]
type = PrimaryConvection
variable = a
p = pressure
[../]
[./b_ie]
type = PrimaryTimeDerivative
variable = b
[../]
[./b_diff]
type = PrimaryDiffusion
variable = b
[../]
[./b_conv]
type = PrimaryConvection
variable = b
p = pressure
[../]
[./a1_eq]
type = CoupledBEEquilibriumSub
variable = a
log_k = 2
weight = 2
sto_u = 2
[../]
[./a1_diff]
type = CoupledDiffusionReactionSub
variable = a
log_k = 2
weight = 2
sto_u = 2
[../]
[./a1_conv]
type = CoupledConvectionReactionSub
variable = a
log_k = 2
weight = 2
sto_u = 2
p = pressure
[../]
[./a2_eq]
type = CoupledBEEquilibriumSub
variable = a
v = b
log_k = -2
weight = 1
sto_v = 1
sto_u = 1
[../]
[./a2_diff]
type = CoupledDiffusionReactionSub
variable = a
v = b
log_k = -2
weight = 1
sto_v = 1
sto_u = 1
[../]
[./a2_conv]
type = CoupledConvectionReactionSub
variable = a
v = b
log_k = -2
weight = 1
sto_v = 1
sto_u = 1
p = pressure
[../]
[./b2_eq]
type = CoupledBEEquilibriumSub
variable = b
v = a
log_k = -2
weight = 1
sto_v = 1
sto_u = 1
[../]
[./b2_diff]
type = CoupledDiffusionReactionSub
variable = b
v = a
log_k = -2
weight = 1
sto_v = 1
sto_u = 1
[../]
[./b2_conv]
type = CoupledConvectionReactionSub
variable = b
v = a
log_k = -2
weight = 1
sto_v = 1
sto_u = 1
p = pressure
[../]
[]
[BCs]
[./a_left]
type = DirichletBC
variable = a
boundary = left
value = 1.0e-2
[../]
[./a_right]
type = ChemicalOutFlowBC
variable = a
boundary = right
[../]
[./b_left]
type = DirichletBC
variable = b
boundary = left
value = 1.0e-2
[../]
[./b_right]
type = ChemicalOutFlowBC
variable = b
boundary = right
[../]
[]
[Materials]
[./porous]
type = GenericConstantMaterial
prop_names = 'diffusivity conductivity porosity'
prop_values = '1e-4 1e-4 0.2'
[../]
[]
[Executioner]
type = Transient
solve_type = PJFNK
nl_abs_tol = 1e-12
end_time = 10
dt = 10
[]
[Outputs]
file_base = equilibrium_out
exodus = true
perf_graph = true
print_linear_residuals = true
[]
[Preconditioning]
[./smp]
type = SMP
full = true
[../]
[]
(modules/phase_field/test/tests/MultiPhase/switchingfunctionmultiphasematerial.i)
[Mesh]
type = GeneratedMesh
dim = 2
nx = 30
ny = 30
xmin = 0
xmax = 30
ymin = 0
ymax = 30
[]
[Variables]
[./c]
[../]
[./w]
[../]
[./eta1]
[../]
[./eta2]
[../]
[./eta3]
[../]
[./eta0]
[../]
[]
[ICs]
[./IC_eta2]
x1 = 0
y1 = 15
x2 = 30
y2 = 30
inside = 1.0
outside = 0.0
type = BoundingBoxIC
variable = eta2
int_width = 0
[../]
[./IC_eta3]
x1 = 15
y1 = 0
x2 = 30
y2 = 15
inside = 1.0
outside = 0.0
type = BoundingBoxIC
variable = eta3
int_width = 0
[../]
[./IC_eta4]
x1 = 0
y1 = 0
x2 = 15
y2 = 15
inside = 1.0
outside = 0.0
type = BoundingBoxIC
variable = eta0
int_width = 0
[../]
[./IC_c]
x1 = 15
y1 = 15
radius = 8.0
outvalue = 0.05
variable = c
invalue = 1.0
type = SmoothCircleIC
int_width = 3.0
[../]
[./IC_eta1]
x1 = 15
y1 = 15
radius = 8.0
outvalue = 0.0
variable = eta1
invalue = 1.0
type = SmoothCircleIC
int_width = 3.0
[../]
[]
# Not evalulating time evolution to improve test performance, since we are only testing
# the material property. However, the kernel and free energy are left in place to allow
# this test to be easily turned in to a working example
#[Kernels]
# [./c_dot]
# type = CoupledTimeDerivative
# variable = w
# v = c
# [../]
# [./c_res]
# type = SplitCHParsed
# variable = c
# f_name = F
# kappa_name = kappa_c
# w = w
# coupled_variables = 'eta1 eta2 eta3 eta0'
# [../]
# [./w_res]
# # coupled_variables = 'c'
# type = SplitCHWRes
# variable = w
# mob_name = M
# [../]
# [./AC1_bulk]
# type = AllenCahn
# variable = eta1
# f_name = F
# coupled_variables = 'c eta2 eta3 eta0'
# [../]
# [./AC1_int]
# type = ACInterface
# variable = eta1
# kappa_name = kappa_s
# [../]
# [./e1_dot]
# type = TimeDerivative
# variable = eta1
# [../]
# [./AC2_bulk]
# type = AllenCahn
# variable = eta2
# f_name = F
# coupled_variables = 'c eta1 eta3 eta0'
# [../]
# [./AC2_int]
# type = ACInterface
# variable = eta2
# [../]
# [./e2_dot]
# type = TimeDerivative
# variable = eta2
# [../]
# [./AC3_bulk]
# type = AllenCahn
# variable = eta3
# f_name = F
# coupled_variables = 'c eta2 eta1 eta0'
# [../]
# [./AC3_int]
# type = ACInterface
# variable = eta3
# [../]
# [./e3_dot]
# type = TimeDerivative
# variable = eta3
# [../]
# [./AC4_bulk]
# type = AllenCahn
# variable = eta0
# f_name = F
# coupled_variables = 'c eta2 eta3 eta1'
# [../]
# [./AC4_int]
# type = ACInterface
# variable = eta0
# [../]
# [./e4_dot]
# type = TimeDerivative
# variable = eta0
# [../]
#[]
[Materials]
[./ha_test]
type = SwitchingFunctionMultiPhaseMaterial
h_name = ha
all_etas = 'eta0 eta1 eta2 eta3'
phase_etas = 'eta1'
outputs = exodus
[../]
[./hb_test]
type = SwitchingFunctionMultiPhaseMaterial
h_name = hb
all_etas = 'eta0 eta1 eta2 eta3'
phase_etas = 'eta0 eta2 eta3'
outputs = exodus
[../]
#[./ha]
# type = DerivativeParsedMaterial
# coupled_variables = 'eta1 eta2 eta3 eta0'
# property_name = ha_parsed
# expression = 'eta1^2/(eta1^2+eta2^2+eta3^2+eta0^2)'
# derivative_order = 2
# outputs = exodus
#[../]
#[./hb]
# type = DerivativeParsedMaterial
# coupled_variables = 'eta1 eta2 eta3 eta0'
# property_name = hb_parsed
# expression = '(eta2^2+eta3^2+eta0^2)/(eta1^2+eta2^2+eta3^2+eta0^2)'
# derivative_order = 2
# outputs = exodus
#[../]
#[./FreeEng]
# type = DerivativeParsedMaterial
# coupled_variables = 'c eta1 eta2 eta3 eta0'
# property_name = F
# constant_names = 'c1 c2 s g d e h z'
# constant_expressions = '1.0 0.0 1.5 1.5 1.0 1.0 1 1.0'
# material_property_names = 'ha(eta1,eta2,eta3,eta0) hb(eta1,eta2,eta3,eta0)'
# expression = 'a:=eta1^2/(eta1^2+eta2^2+eta3^2+eta0^2);f1:=ha*(c-c1)^2;b:=(eta2^2+eta3^2+eta0^2)/(eta1^2+eta2^2+eta3^2+eta0^2);f2:=hb*(c-c2)^2
# ;f3:=1/4*eta1^4-1/2*eta1^2+1/4*eta2^4-1/2*eta2^2+1/4*eta3^4-1/2*eta3^2+1/4*eta0^4-1/2*eta0^2
# ;f4:=z*s*(eta1^2*eta2^2+eta1^2*eta3^2+eta1^2*eta0^2)+g*(eta2^2*eta3^2+eta2^2*eta0^2+eta3^2*eta0^2);f:=1/4+e*f1+d*f2+h*(f3+f4);f'
# derivative_order = 2
#[../]
[./const]
type = GenericConstantMaterial
prop_names = 'kappa_c kappa_s kappa_op L M'
prop_values = '0 3 3 1.0 1.0'
outputs = exodus
[../]
[]
[Executioner]
type = Transient
num_steps = 1
[]
[Problem]
solve = false
kernel_coverage_check = false
[]
[Outputs]
exodus = true
[]
(test/tests/ics/from_exodus_solution/nodal_part2.i)
# Use the exodus file for restarting the problem:
# - restart one variable
# - and have one extra variable with IC
#
[Mesh]
file = out_nodal_part1.e
[]
[Functions]
[exact_fn]
type = ParsedFunction
expression = ((x*x)+(y*y))
[]
[forcing_fn]
type = ParsedFunction
expression = -4
[]
[]
[Variables]
active = 'u v'
[u]
order = FIRST
family = LAGRANGE
initial_from_file_var = u
initial_from_file_timestep = 6
[]
[v]
order = FIRST
family = LAGRANGE
[InitialCondition]
type = BoundingBoxIC
x1 = 0.0
x2 = 1.0
y1 = 0.0
y2 = 1.0
inside = 3.0
outside = 1.0
[]
[]
[]
[Problem]
allow_initial_conditions_with_restart = true
[]
[Kernels]
[diff]
type = Diffusion
variable = u
[]
[ffn]
type = BodyForce
variable = u
function = forcing_fn
[]
[diff_v]
type = Diffusion
variable = v
[]
[]
[BCs]
[all]
type = FunctionDirichletBC
variable = u
boundary = '0 1 2 3'
function = exact_fn
[]
[left_v]
type = DirichletBC
variable = v
boundary = '3'
value = 0
[]
[right_v]
type = DirichletBC
variable = v
boundary = '1'
value = 1
[]
[]
[Executioner]
type = Steady
solve_type = 'PJFNK'
[]
[Outputs]
file_base = out_nodal_var_restart
exodus = true
[]
(modules/phase_field/test/tests/phase_field_kernels/nonuniform_barrier_coefficient.i)
# This material tests the kernels ACBarrierFunction and ACKappaFunction for a
# multiphase system.
[Mesh]
type = GeneratedMesh
dim = 2
nx = 20
ny = 20
xmin = -200
xmax = 200
ymin = -200
ymax = 200
uniform_refine = 0
[]
[Variables]
[./gr0]
[../]
[./gr1]
[../]
[]
[ICs]
[./gr0_IC]
type = BoundingBoxIC
variable = gr0
x1 = -80
y1 = -80
x2 = 80
y2 = 80
inside = 0
outside = 1
[../]
[./gr1_IC]
type = BoundingBoxIC
variable = gr1
x1 = -80
y1 = -80
x2 = 80
y2 = 80
inside = 1
outside = 0
[../]
[]
[Materials]
[./constants]
type = GenericConstantMaterial
prop_names = 'L gamma E0 E1'
prop_values = '0.1 1.5 3 1'
[../]
[./h0]
type = DerivativeParsedMaterial
property_name = h0
coupled_variables = 'gr0 gr1'
expression = 'gr0^2 / (gr0^2 + gr1^2)'
derivative_order = 2
[../]
[./h1]
type = DerivativeParsedMaterial
property_name = h1
coupled_variables = 'gr0 gr1'
expression = 'gr1^2 / (gr0^2 + gr1^2)'
derivative_order = 2
[../]
[./mu]
type = DerivativeParsedMaterial
property_name = mu
coupled_variables = 'gr0 gr1'
constant_names = 'mag'
constant_expressions = '16'
expression = 'mag * (gr0^2 * gr1^2 + 0.1)'
derivative_order = 2
[../]
[./kappa]
type = DerivativeParsedMaterial
property_name = kappa
coupled_variables = 'gr0 gr1'
material_property_names = 'h0(gr0,gr1) h1(gr0,gr1)'
constant_names = 'mag0 mag1'
constant_expressions = '200 100'
expression = 'h0*mag0 + h1*mag1'
derivative_order = 2
[../]
[]
[Kernels]
[./gr0_time]
type = TimeDerivative
variable = gr0
[../]
[./gr0_interface]
type = ACInterface
variable = gr0
coupled_variables = 'gr1'
mob_name = L
kappa_name = 'kappa'
[../]
[./gr0_switching]
type = ACSwitching
variable = gr0
coupled_variables = 'gr1'
hj_names = 'h0 h1'
Fj_names = 'E0 E1'
mob_name = L
[../]
[./gr0_multi]
type = ACGrGrMulti
variable = gr0
v = 'gr1'
mob_name = L
gamma_names = 'gamma'
[../]
[./gr0_barrier]
type = ACBarrierFunction
variable = gr0
mob_name = L
gamma = gamma
v = 'gr1'
[../]
[./gr0_kappa]
type = ACKappaFunction
variable = gr0
mob_name = L
kappa_name = kappa
v = 'gr1'
[../]
[./gr1_time]
type = TimeDerivative
variable = gr1
[../]
[./gr1_interface]
type = ACInterface
variable = gr1
coupled_variables = 'gr0'
mob_name = L
kappa_name = 'kappa'
[../]
[./gr1_switching]
type = ACSwitching
variable = gr1
coupled_variables = 'gr0'
hj_names = 'h0 h1'
Fj_names = 'E0 E1'
mob_name = L
[../]
[./gr1_multi]
type = ACGrGrMulti
variable = gr1
v = 'gr0'
mob_name = L
gamma_names = 'gamma'
[../]
[./gr1_barrier]
type = ACBarrierFunction
variable = gr1
mob_name = L
gamma = gamma
v = 'gr0'
[../]
[./gr1_kappa]
type = ACKappaFunction
variable = gr1
mob_name = L
kappa_name = kappa
v = 'gr0'
[../]
[]
[Preconditioning]
[./SMP]
type = SMP
full = true
[../]
[]
[Executioner]
type = Transient
scheme = bdf2
solve_type = NEWTON
petsc_options_iname = '-pc_type -sub_pc_type -pc_asm_overlap -ksp_gmres_restart -sub_ksp_type'
petsc_options_value = ' asm ilu 1 31 preonly'
nl_max_its = 20
l_max_its = 30
l_tol = 1e-4
nl_rel_tol = 1e-12
nl_abs_tol = 1e-12
start_time = 0
num_steps = 3
dt = 1
[]
[Outputs]
exodus = true
[]
(modules/phase_field/test/tests/rigidbodymotion/update_orientation_verify.i)
# test file for applyting advection term and observing rigid body motion of grains
[Mesh]
type = GeneratedMesh
dim = 3
nx = 14
ny = 7
nz = 7
xmax = 40
ymax = 25
zmax = 25
elem_type = HEX8
[]
[Variables]
[./c]
order = FIRST
family = LAGRANGE
[../]
[./w]
order = FIRST
family = LAGRANGE
[../]
[./eta]
order = FIRST
family = LAGRANGE
[../]
[]
[Kernels]
[./c_res]
type = SplitCHParsed
variable = c
f_name = F
kappa_name = kappa_c
w = w
coupled_variables = eta
[../]
[./w_res]
type = SplitCHWRes
variable = w
mob_name = M
[../]
[./time]
type = CoupledTimeDerivative
variable = w
v = c
[../]
[./motion]
type = MultiGrainRigidBodyMotion
variable = w
c = c
v = eta
grain_tracker_object = grain_center
grain_force = grain_force
grain_volumes = grain_volumes
[../]
[./eta_dot]
type = TimeDerivative
variable = eta
[../]
[./vadv_eta]
type = SingleGrainRigidBodyMotion
variable = eta
c = c
v = eta
grain_tracker_object = grain_center
grain_force = grain_force
grain_volumes = grain_volumes
[../]
[./acint_eta]
type = ACInterface
variable = eta
mob_name = M
coupled_variables = c
kappa_name = kappa_eta
[../]
[./acbulk_eta]
type = AllenCahn
variable = eta
mob_name = M
f_name = F
coupled_variables = c
[../]
[]
[Materials]
[./pfmobility]
type = GenericConstantMaterial
prop_names = 'M kappa_c kappa_eta'
prop_values = '5.0 2.0 0.1'
[../]
[./free_energy]
type = DerivativeParsedMaterial
coupled_variables = 'c eta'
constant_names = 'barr_height cv_eq'
constant_expressions = '0.1 1.0e-2'
expression = 16*barr_height*(c-cv_eq)^2*(1-cv_eq-c)^2+(c-eta)^2
derivative_order = 2
[../]
[]
[AuxVariables]
[./unique_grains]
order = CONSTANT
family = MONOMIAL
[../]
[./var_indices]
order = CONSTANT
family = MONOMIAL
[../]
[./centroids]
order = CONSTANT
family = MONOMIAL
[../]
[./vadv_x]
order = CONSTANT
family = MONOMIAL
[../]
[./vadv_y]
order = CONSTANT
family = MONOMIAL
[../]
[./angle_initial]
order = CONSTANT
family = MONOMIAL
[../]
[./euler_angle]
order = CONSTANT
family = MONOMIAL
[../]
[]
[AuxKernels]
[./unique_grains]
type = FeatureFloodCountAux
variable = unique_grains
flood_counter = grain_center
field_display = UNIQUE_REGION
execute_on = timestep_begin
[../]
[./var_indices]
type = FeatureFloodCountAux
variable = var_indices
flood_counter = grain_center
field_display = VARIABLE_COLORING
execute_on = timestep_begin
[../]
[./centroids]
type = FeatureFloodCountAux
variable = centroids
execute_on = timestep_begin
field_display = CENTROID
flood_counter = grain_center
[../]
[./vadv_x]
type = GrainAdvectionAux
grain_force = grain_force
grain_volumes = grain_volumes
grain_tracker_object = grain_center
execute_on = timestep_begin
component = x
variable = vadv_x
[../]
[./vadv_y]
type = GrainAdvectionAux
grain_force = grain_force
grain_volumes = grain_volumes
grain_tracker_object = grain_center
execute_on = timestep_begin
component = y
variable = vadv_y
[../]
[./angle_initial]
type = OutputEulerAngles
variable = angle_initial
euler_angle_provider = euler_angle_initial
grain_tracker = grain_center
output_euler_angle = phi2
execute_on = timestep_begin
[../]
[./angle]
type = OutputEulerAngles
variable = euler_angle
euler_angle_provider = euler_angle
grain_tracker = grain_center
output_euler_angle = phi2
execute_on = timestep_begin
[../]
[]
[VectorPostprocessors]
[./forces]
type = GrainForcesPostprocessor
grain_force = grain_force
[../]
[./grain_volumes]
type = FeatureVolumeVectorPostprocessor
flood_counter = grain_center
execute_on = 'initial timestep_begin'
[../]
[./angle_check]
type = EulerAngleUpdaterCheck
grain_tracker_object = grain_center
euler_angle_updater = euler_angle
grain_torques_object = grain_force
grain_volumes = grain_volumes
execute_on = timestep_begin
[../]
[]
[UserObjects]
[./grain_center]
type = GrainTracker
variable = eta
outputs = none
compute_var_to_feature_map = true
execute_on = 'initial timestep_begin'
[../]
[./grain_force]
type = ConstantGrainForceAndTorque
execute_on = 'initial timestep_begin linear nonlinear'
force = '0.5 0.0 0.0 '
torque = '-200.0 -120.0 1000.0'
[../]
[./euler_angle_initial]
type = RandomEulerAngleProvider
grain_tracker_object = grain_center
seed = 12356
execute_on = 'initial timestep_begin'
[../]
[./euler_angle]
type = EulerAngleUpdater
grain_tracker_object = grain_center
euler_angle_provider = euler_angle_initial
grain_torques_object = grain_force
grain_volumes = grain_volumes
execute_on = timestep_begin
[../]
[]
[Preconditioning]
[./SMP]
type = SMP
full = true
[../]
[]
[Executioner]
type = Transient
scheme = bdf2
solve_type = NEWTON
petsc_options_iname = '-pc_type -ksp_gmres_restart -sub_ksp_type -sub_pc_type -pc_asm_overlap'
petsc_options_value = 'asm 31 preonly lu 1'
nl_max_its = 30
l_max_its = 30
l_tol = 1.0e-4
nl_rel_tol = 1.0e-10
start_time = 0.0
dt = 0.2
num_steps = 2
[]
[Outputs]
csv = true
exodus = true
[]
[ICs]
[./rect_c]
y2 = 20.0
y1 = 5.0
z1 = 5.0
z2 = 20.0
inside = 1.0
x2 = 30.0
variable = c
x1 = 10.0
type = BoundingBoxIC
[../]
[./rect_eta]
y2 = 20.0
y1 = 5.0
inside = 1.0
x2 = 30.0
variable = eta
x1 = 10.0
z1 = 5.0
z2 = 20.0
type = BoundingBoxIC
[../]
[]
(modules/chemical_reactions/test/tests/aqueous_equilibrium/2species_with_density.i)
# Simple equilibrium reaction example with fluid density and gravity included
# in calculation of the Darcy velocity. For details about reaction network,
# see documentation in 2species.i
[Mesh]
type = GeneratedMesh
dim = 2
nx = 10
[]
[Variables]
[./a]
order = FIRST
family = LAGRANGE
[./InitialCondition]
type = BoundingBoxIC
x1 = 0.0
y1 = 0.0
x2 = 1.0e-10
y2 = 1
inside = 1.0e-2
outside = 1.0e-10
[../]
[../]
[./b]
order = FIRST
family = LAGRANGE
[./InitialCondition]
type = BoundingBoxIC
x1 = 0.0
y1 = 0.0
x2 = 1.0e-10
y2 = 1
inside = 1.0e-2
outside = 1.0e-10
[../]
[../]
[./pressure]
order = FIRST
family = LAGRANGE
initial_condition = 1
[../]
[]
[ReactionNetwork]
[./AqueousEquilibriumReactions]
primary_species = 'a b'
reactions = '2a = pa2 2,
a + b = pab -2'
secondary_species = 'pa2 pab'
pressure = pressure
gravity = '-1 0 0'
[../]
[]
[Kernels]
[./a_ie]
type = PrimaryTimeDerivative
variable = a
[../]
[./a_diff]
type = PrimaryDiffusion
variable = a
[../]
[./a_conv]
type = PrimaryConvection
variable = a
p = pressure
gravity = '-1 0 0'
[../]
[./b_ie]
type = PrimaryTimeDerivative
variable = b
[../]
[./b_diff]
type = PrimaryDiffusion
variable = b
[../]
[./b_conv]
type = PrimaryConvection
variable = b
p = pressure
gravity = '-1 0 0'
[../]
[./p]
type = DarcyFluxPressure
variable = pressure
gravity = '-1 0 0'
[../]
[]
[BCs]
[./a_left]
type = DirichletBC
variable = a
preset = false
boundary = left
value = 1.0e-2
[../]
[./a_right]
type = ChemicalOutFlowBC
variable = a
boundary = right
[../]
[./b_left]
type = DirichletBC
variable = b
preset = false
boundary = left
value = 1.0e-2
[../]
[./b_right]
type = ChemicalOutFlowBC
variable = b
boundary = right
[../]
[./pleft]
type = DirichletBC
variable = pressure
preset = false
value = 2
boundary = left
[../]
[./pright]
type = DirichletBC
variable = pressure
preset = false
value = 1
boundary = right
[../]
[]
[Materials]
[./porous]
type = GenericConstantMaterial
prop_names = 'diffusivity conductivity porosity density'
prop_values = '1e-4 1e-4 0.2 4'
[../]
[]
[Executioner]
type = Transient
solve_type = PJFNK
petsc_options_iname = '-pc_type -pc_hypre_type'
petsc_options_value = 'hypre boomeramg'
nl_rel_tol = 1e-12
start_time = 0.0
end_time = 100
dt = 10.0
[]
[Outputs]
exodus = true
perf_graph = true
print_linear_residuals = true
[]
[Preconditioning]
[./smp]
type = SMP
full = true
[../]
[]
(modules/porous_flow/examples/tutorial/13.i)
# Example of reactive transport model with dissolution of dolomite
#
# The equilibrium system has 5 primary species (Variables) and
# 5 secondary species (PorousFlowMassFractionAqueousEquilibrium).
# Some of the equilibrium constants have been chosen rather arbitrarily.
#
# Equilibrium reactions
# H+ + HCO3- = CO2(aq)
# -H+ + HCO3- = CO32-
# HCO3- + Ca2+ = CaHCO3+
# HCO3- + Mg2+ = MgHCO3+
# HCO3- + Fe2+ = FeHCO3+
#
# The kinetic reaction that dissolves dolomite involves all 5 primary species.
#
# -2H+ + 2HCO3- + Ca2+ + 0.8Mg2+ + 0.2Fe2+ = CaMg0.8Fe0.2(CO3)2
#
# The initial concentration of precipitated dolomite is high, so it starts
# to dissolve immediately, increasing the concentrations of the primary species.
#
# Only single-phase, fully saturated physics is used.
# The pressure gradient is fixed, so that the Darcy velocity is 0.1m/s.
#
# Primary species are injected from the left side, and they flow to the right.
# Less dolomite dissolution therefore occurs on the left side (where
# the primary species have higher concentration).
#
# This test is more fully documented in tutorial_13
[Mesh]
type = GeneratedMesh
dim = 1
nx = 100
xmax = 1
[]
[Variables]
[h+]
[]
[hco3-]
[]
[ca2+]
[]
[mg2+]
[]
[fe2+]
[]
[]
[AuxVariables]
[eqm_k0]
initial_condition = 2.19E6
[]
[eqm_k1]
initial_condition = 4.73E-11
[]
[eqm_k2]
initial_condition = 0.222
[]
[eqm_k3]
initial_condition = 1E-2
[]
[eqm_k4]
initial_condition = 1E-3
[]
[kinetic_k]
initial_condition = 326.2
[]
[pressure]
[]
[dolomite]
family = MONOMIAL
order = CONSTANT
[]
[dolomite_initial]
initial_condition = 1E-7
[]
[]
[AuxKernels]
[dolomite]
type = PorousFlowPropertyAux
property = mineral_concentration
mineral_species = 0
variable = dolomite
[]
[]
[GlobalParams]
PorousFlowDictator = dictator
gravity = '0 0 0'
[]
[ICs]
[pressure_ic]
type = FunctionIC
variable = pressure
function = '(1 - x) * 1E6'
[]
[h+_ic]
type = BoundingBoxIC
variable = h+
x1 = 0.0
y1 = 0.0
x2 = 1.0e-10
y2 = 0.25
inside = 5.0e-2
outside = 1.0e-6
[]
[hco3_ic]
type = BoundingBoxIC
variable = hco3-
x1 = 0.0
y1 = 0.0
x2 = 1.0e-10
y2 = 0.25
inside = 5.0e-2
outside = 1.0e-6
[]
[ca2_ic]
type = BoundingBoxIC
variable = ca2+
x1 = 0.0
y1 = 0.0
x2 = 1.0e-10
y2 = 0.25
inside = 5.0e-2
outside = 1.0e-6
[]
[mg2_ic]
type = BoundingBoxIC
variable = mg2+
x1 = 0.0
y1 = 0.0
x2 = 1.0e-10
y2 = 0.25
inside = 5.0e-2
outside = 1.0e-6
[]
[fe2_ic]
type = BoundingBoxIC
variable = fe2+
x1 = 0.0
y1 = 0.0
x2 = 1.0e-10
y2 = 0.25
inside = 5.0e-2
outside = 1.0e-6
[]
[]
[Kernels]
[h+_ie]
type = PorousFlowMassTimeDerivative
fluid_component = 0
variable = h+
[]
[h+_conv]
type = PorousFlowAdvectiveFlux
fluid_component = 0
variable = h+
[]
[predis_h+]
type = PorousFlowPreDis
variable = h+
mineral_density = 2875.0
stoichiometry = -2
[]
[hco3-_ie]
type = PorousFlowMassTimeDerivative
fluid_component = 1
variable = hco3-
[]
[hco3-_conv]
type = PorousFlowAdvectiveFlux
fluid_component = 1
variable = hco3-
[]
[predis_hco3-]
type = PorousFlowPreDis
variable = hco3-
mineral_density = 2875.0
stoichiometry = 2
[]
[ca2+_ie]
type = PorousFlowMassTimeDerivative
fluid_component = 2
variable = ca2+
[]
[ca2+_conv]
type = PorousFlowAdvectiveFlux
fluid_component = 2
variable = ca2+
[]
[predis_ca2+]
type = PorousFlowPreDis
variable = ca2+
mineral_density = 2875.0
stoichiometry = 1
[]
[mg2+_ie]
type = PorousFlowMassTimeDerivative
fluid_component = 3
variable = mg2+
[]
[mg2+_conv]
type = PorousFlowAdvectiveFlux
fluid_component = 3
variable = mg2+
[]
[predis_mg2+]
type = PorousFlowPreDis
variable = mg2+
mineral_density = 2875.0
stoichiometry = 0.8
[]
[fe2+_ie]
type = PorousFlowMassTimeDerivative
fluid_component = 4
variable = fe2+
[]
[fe2+_conv]
type = PorousFlowAdvectiveFlux
fluid_component = 4
variable = fe2+
[]
[predis_fe2+]
type = PorousFlowPreDis
variable = fe2+
mineral_density = 2875.0
stoichiometry = 0.2
[]
[]
[UserObjects]
[dictator]
type = PorousFlowDictator
porous_flow_vars = 'h+ hco3- ca2+ mg2+ fe2+'
number_fluid_phases = 1
number_fluid_components = 6
number_aqueous_equilibrium = 5
number_aqueous_kinetic = 1
[]
[]
[FluidProperties]
[simple_fluid]
type = SimpleFluidProperties
viscosity = 1E-3
[]
[]
[BCs]
[hco3-_left]
type = DirichletBC
variable = hco3-
boundary = left
value = 5E-2
[]
[h+_left]
type = DirichletBC
variable = h+
boundary = left
value = 5E-2
[]
[ca2+_left]
type = DirichletBC
variable = ca2+
boundary = left
value = 5E-2
[]
[mg2+_left]
type = DirichletBC
variable = mg2+
boundary = left
value = 5E-2
[]
[fe2+_left]
type = DirichletBC
variable = fe2+
boundary = left
value = 5E-2
[]
[hco3-_right]
type = DirichletBC
variable = hco3-
boundary = right
value = 1E-6
[]
[h+_right]
type = DirichletBC
variable = h+
boundary = right
value = 1e-6
[]
[ca2+_right]
type = DirichletBC
variable = ca2+
boundary = right
value = 1E-6
[]
[mg2+_right]
type = DirichletBC
variable = mg2+
boundary = right
value = 1E-6
[]
[fe2+_right]
type = DirichletBC
variable = fe2+
boundary = right
value = 1E-6
[]
[]
[Materials]
[temperature]
type = PorousFlowTemperature
temperature = 298.15
[]
[ppss]
type = PorousFlow1PhaseFullySaturated
porepressure = pressure
[]
[equilibrium_massfrac]
type = PorousFlowMassFractionAqueousEquilibriumChemistry
mass_fraction_vars = 'h+ hco3- ca2+ mg2+ fe2+'
num_reactions = 5
equilibrium_constants = 'eqm_k0 eqm_k1 eqm_k2 eqm_k3 eqm_k4'
primary_activity_coefficients = '1 1 1 1 1'
secondary_activity_coefficients = '1 1 1 1 1'
reactions = '1 1 0 0 0
-1 1 0 0 0
0 1 1 0 0
0 1 0 1 0
0 1 0 0 1'
[]
[kinetic]
type = PorousFlowAqueousPreDisChemistry
primary_concentrations = 'h+ hco3- ca2+ mg2+ fe2+'
num_reactions = 1
equilibrium_constants = kinetic_k
primary_activity_coefficients = '1 1 1 1 1'
reactions = '-2 2 1 0.8 0.2'
specific_reactive_surface_area = '1.2E-8'
kinetic_rate_constant = '3E-4'
activation_energy = '1.5e4'
molar_volume = 64365.0
gas_constant = 8.314
reference_temperature = 298.15
[]
[dolomite_conc]
type = PorousFlowAqueousPreDisMineral
initial_concentrations = dolomite_initial
[]
[simple_fluid]
type = PorousFlowSingleComponentFluid
fp = simple_fluid
phase = 0
[]
[porosity]
type = PorousFlowPorosityConst
porosity = 0.2
[]
[permeability]
type = PorousFlowPermeabilityConst
permeability = '1E-10 0 0 0 1E-10 0 0 0 1E-10'
[]
[relp]
type = PorousFlowRelativePermeabilityConst
phase = 0
[]
[]
[Executioner]
type = Transient
solve_type = Newton
end_time = 1
[TimeStepper]
type = IterationAdaptiveDT
dt = 0.1
[]
[]
[Preconditioning]
active = basic
[basic]
type = SMP
full = true
petsc_options = '-ksp_diagonal_scale -ksp_diagonal_scale_fix'
petsc_options_iname = '-pc_type -sub_pc_type -sub_pc_factor_shift_type -pc_asm_overlap'
petsc_options_value = ' asm lu NONZERO 2'
[]
[preferred_but_might_not_be_installed]
type = SMP
full = true
petsc_options_iname = '-pc_type -pc_factor_mat_solver_package'
petsc_options_value = ' lu mumps'
[]
[]
[Outputs]
print_linear_residuals = false
perf_graph = true
exodus = true
[]
(modules/phase_field/test/tests/mobility_derivative/mobility_derivative_direct_coupled_test.i)
[Mesh]
type = GeneratedMesh
dim = 2
nx = 10
ny = 10
xmax = 30
ymax = 30
elem_type = QUAD4
[]
[Variables]
[./c]
family = HERMITE
order = THIRD
[../]
[./d]
[../]
[]
[ICs]
[./c_IC]
type = SmoothCircleIC
x1 = 15
y1 = 15
radius = 12
variable = c
int_width = 3
invalue = 1
outvalue = 0
[../]
[./d_IC]
type = BoundingBoxIC
x1 = 0
x2 = 15
y1 = 0
y2 = 30
inside = 1.0
outside = 0.0
variable = d
[../]
[]
[Kernels]
[./c_bulk]
type = CahnHilliard
variable = c
mob_name = M
f_name = F
coupled_variables = d
[../]
[./c_int]
type = CHInterface
variable = c
kappa_name = kappa_c
mob_name = M
coupled_variables = d
[../]
[./c_dot]
type = TimeDerivative
variable = c
[../]
[./d_dot]
type = TimeDerivative
variable = d
[../]
[./d_diff]
type = MatDiffusion
variable = d
diffusivity = diffusivity
[../]
[]
[Materials]
[./kappa]
type = GenericConstantMaterial
prop_names = kappa_c
prop_values = 2.0
[../]
[./mob]
type = DerivativeParsedMaterial
property_name = M
coupled_variables = 'c d'
expression = if(d>0.001,d,0.001)*if(c<0,0.5,if(c>1,0.5,1-0.5*c^2))
derivative_order = 2
[../]
[./free_energy]
type = MathEBFreeEnergy
property_name = F
c = c
[../]
[./d_diff]
type = GenericConstantMaterial
prop_names = diffusivity
prop_values = 1.0
[../]
[]
[Preconditioning]
[./SMP]
type = SMP
full = true
[../]
[]
[Executioner]
type = Transient
scheme = BDF2
solve_type = NEWTON
petsc_options_iname = '-pc_type -ksp_gmres_restart -sub_pc_type -pc_asm_overlap'
petsc_options_value = 'asm 31 lu 1'
l_max_its = 30
l_tol = 1.0e-4
nl_max_its = 50
nl_rel_tol = 1.0e-10
dt = 0.25
num_steps = 2
[]
[Outputs]
execute_on = 'timestep_end'
[./oversample]
refinements = 2
type = Exodus
[../]
[]
(modules/misc/test/tests/dynamic_loading/dynamic_obj_registration/dynamic_objects.i)
# This input file contains objects only available in phase_field
[Mesh]
type = GeneratedMesh
dim = 2
nx = 4
ny = 2
xmax = 50
ymax = 25
elem_type = QUAD4
uniform_refine = 2
[]
[Variables]
[./c]
order = THIRD
family = HERMITE
[../]
[]
[ICs]
[./c_IC]
type = BoundingBoxIC
x1 = 15.0
x2 = 35.0
y1 = 0.0
y2 = 25.0
inside = 1.0
outside = -0.8
variable = c
[../]
[]
[Kernels]
[./ie_c]
type = TimeDerivative
variable = c
[../]
[./CHSolid]
type = CHMath
variable = c
mob_name = M
[../]
[./CHInterface]
type = CHInterface
variable = c
kappa_name = kappa_c
mob_name = M
[../]
[]
[BCs]
[./Periodic]
[./all]
auto_direction = 'x y'
[../]
[../]
[]
[Materials]
[./constant]
type = GenericConstantMaterial
prop_names = 'M kappa_c'
prop_values = '1.0 1.0'
block = 0
[../]
[]
[Executioner]
type = Transient
scheme = bdf2
solve_type = NEWTON
petsc_options_iname = '-pc_type -pc_hypre_type -ksp_gmres_restart'
petsc_options_value = 'hypre boomeramg 31'
l_max_its = 15
nl_max_its = 10
start_time = 0.0
num_steps = 2
dt = 1.0
[]
[Outputs]
exodus = true
[]
[Problem]
register_objects_from = 'PhaseFieldApp'
library_path = '../../../../../phase_field/lib'
[]
(test/tests/mesh/adapt/initial_adaptivity_test.i)
[Mesh]
type = GeneratedMesh
dim = 2
xmin = -1
xmax = 1
ymin = -1
ymax = 1
nx = 2
ny = 2
elem_type = QUAD9
[]
[Functions]
[./exact_fn]
type = ParsedFunction
expression = x*x+y*y
[../]
[./ffn]
type = ParsedFunction
expression = -4
[../]
[]
[Variables]
[./u]
order = SECOND
family = LAGRANGE
[./InitialCondition]
type = BoundingBoxIC
x1 = -2
y1 = -2
x2 = 0
y2 = 2
inside = 1
outside = 0
[../]
[../]
[]
[Kernels]
[./udiff]
type = Diffusion
variable = u
[../]
[./forcing_fn]
type = BodyForce
variable = u
function = ffn
[../]
[]
[BCs]
[./all]
type = FunctionDirichletBC
variable = u
boundary = '0 1 2 3'
function = exact_fn
[../]
[]
[Executioner]
type = Steady
solve_type = 'PJFNK'
[./Adaptivity]
initial_adaptivity = 5
refine_fraction = 0.2
coarsen_fraction = 0.3
max_h_level = 4
[../]
[]
[Outputs]
exodus = true
[]
(modules/combined/test/tests/linear_elasticity/extra_stress.i)
[GlobalParams]
displacements = 'disp_x disp_y'
[]
[Mesh]
type = GeneratedMesh
dim = 2
nx = 128
ny = 1
xmax = 3.2
ymax = 0.025
elem_type = QUAD4
[]
[Modules/TensorMechanics/Master/All]
add_variables = true
generate_output = 'stress_xx stress_xy stress_yy stress_zz strain_xx strain_xy strain_yy'
[]
[AuxVariables]
[./c]
[../]
[]
[ICs]
[./c_IC]
type = BoundingBoxIC
variable = c
x1 = -1
y1 = -1
x2 = 1.6
y2 = 1
inside = 0
outside = 1
block = 0
[../]
[]
[Materials]
[./elasticity_tensor]
type = ComputeElasticityTensor
block = 0
C_ijkl = '104 74 74 104 74 104 47.65 47.65 47.65'
fill_method = symmetric9
base_name = matrix
[../]
[./stress]
type = ComputeLinearElasticStress
block = 0
base_name = matrix
[../]
[./strain]
type = ComputeSmallStrain
block = 0
base_name = matrix
[../]
[./elasticity_tensor_ppt]
type = ComputeElasticityTensor
block = 0
C_ijkl = '0.104 0.074 0.074 0.104 0.074 0.104 0.04765 0.04765 0.04765'
fill_method = symmetric9
base_name = ppt
[../]
[./stress_ppt]
type = ComputeLinearElasticStress
block = 0
base_name = ppt
[../]
[./strain_ppt]
type = ComputeSmallStrain
block = 0
base_name = ppt
[../]
[./const_stress]
type = ComputeExtraStressConstant
block = 0
base_name = ppt
extra_stress_tensor = '-0.288 -0.373 -0.2747 0 0 0'
[../]
[./global_stress]
type = TwoPhaseStressMaterial
base_A = matrix
base_B = ppt
[../]
[./switching]
type = SwitchingFunctionMaterial
eta = c
[../]
[]
[BCs]
active = 'left_x right_x bottom_y top_y'
[./bottom_y]
type = DirichletBC
variable = disp_y
boundary = bottom
value = 0
[../]
[./left_x]
type = DirichletBC
variable = disp_x
boundary = left
value = 0
[../]
[./right_x]
type = DirichletBC
variable = disp_x
boundary = right
value = 0
[../]
[./top_y]
type = DirichletBC
variable = disp_y
boundary = top
value = 0
[../]
[]
[Preconditioning]
[./SMP]
type = SMP
full = true
[../]
[]
[Executioner]
type = Steady
solve_type = 'NEWTON'
[]
[Outputs]
exodus = true
[]
(modules/phase_field/examples/rigidbodymotion/AC_CH_advection_constforce_rect.i)
#
# Tests the Rigid Body Motion of grains due to applied forces.
# Concenterated forces and torques have been applied and corresponding
# advection velocities are calculated.
# Grain motion kernels make the grains translate and rotate as a rigidbody,
# applicable to grain movement in porous media
#
[Mesh]
type = GeneratedMesh
dim = 2
nx = 50
ny = 25
nz = 0
xmax = 50
ymax = 25
zmax = 0
elem_type = QUAD4
[]
[Variables]
[./c]
order = FIRST
family = LAGRANGE
[../]
[./w]
order = FIRST
family = LAGRANGE
[../]
[./eta]
order = FIRST
family = LAGRANGE
[../]
[]
[AuxVariables]
[./vadvx]
order = CONSTANT
family = MONOMIAL
[../]
[./vadvy]
order = CONSTANT
family = MONOMIAL
[../]
[]
[Kernels]
[./c_res]
type = SplitCHParsed
variable = c
f_name = F
kappa_name = kappa_c
w = w
coupled_variables = eta
[../]
[./w_res]
type = SplitCHWRes
variable = w
mob_name = M
[../]
[./time]
type = CoupledTimeDerivative
variable = w
v = c
[../]
[./motion]
# advection kernel corrsponding to CH equation
type = MultiGrainRigidBodyMotion
variable = w
c = c
v = eta
grain_tracker_object = grain_center
grain_force = grain_force
grain_volumes = grain_volumes
[../]
[./eta_dot]
type = TimeDerivative
variable = eta
[../]
[./vadv_eta]
# advection kernel corrsponding to AC equation
type = SingleGrainRigidBodyMotion
variable = eta
c = c
v = eta
grain_tracker_object = grain_center
grain_force = grain_force
grain_volumes = grain_volumes
[../]
[./acint_eta]
type = ACInterface
variable = eta
mob_name = M
coupled_variables = c
kappa_name = kappa_eta
[../]
[./acbulk_eta]
type = AllenCahn
variable = eta
mob_name = M
f_name = F
coupled_variables = c
[../]
[]
[AuxKernels]
[./vadv_x]
type = GrainAdvectionAux
component = x
grain_tracker_object = grain_center
grain_force = grain_force
grain_volumes = grain_volumes
variable = vadvx
[../]
[./vadv_y]
type = GrainAdvectionAux
component = y
grain_tracker_object = grain_center
grain_force = grain_force
grain_volumes = grain_volumes
variable = vadvy
[../]
[]
[Materials]
[./pfmobility]
type = GenericConstantMaterial
prop_names = 'M kappa_c kappa_eta'
prop_values = '1.0 2.0 0.1'
[../]
[./free_energy]
type = DerivativeParsedMaterial
coupled_variables = 'c eta'
constant_names = 'barr_height cv_eq'
constant_expressions = '0.1 1.0e-2'
expression = 16*barr_height*(c-cv_eq)^2*(1-cv_eq-c)^2+(c-eta)^2
derivative_order = 2
[../]
[]
[VectorPostprocessors]
[./forces]
# VectorPostprocessor for outputting grain forces and torques
type = GrainForcesPostprocessor
grain_force = grain_force
[../]
[./grain_volumes]
type = FeatureVolumeVectorPostprocessor
flood_counter = grain_center
execute_on = 'initial timestep_begin'
[../]
[]
[UserObjects]
[./grain_center]
type = GrainTracker
variable = eta
outputs = none
compute_var_to_feature_map = true
execute_on = 'initial timestep_begin'
[../]
[./grain_force]
type = ConstantGrainForceAndTorque
execute_on = 'linear nonlinear'
force = '0.2 0.0 0.0 ' # size should be 3 * no. of grains
torque = '0.0 0.0 5.0 ' # size should be 3 * no. of grains
[../]
[]
[Preconditioning]
[./SMP]
type = SMP
full = true
[../]
[]
[Executioner]
type = Transient
nl_max_its = 30
scheme = bdf2
solve_type = NEWTON
petsc_options_iname = '-pc_type -ksp_gmres_restart -sub_ksp_type -sub_pc_type -pc_asm_overlap'
petsc_options_value = 'asm 31 preonly lu 1'
l_max_its = 30
l_tol = 1.0e-4
nl_rel_tol = 1.0e-10
start_time = 0.0
dt = 0.1
end_time = 10
[]
[Outputs]
exodus = true
[]
[ICs]
[./rect_c]
y2 = 20.0
y1 = 5.0
inside = 1.0
x2 = 30.0
variable = c
x1 = 10.0
type = BoundingBoxIC
[../]
[./rect_eta]
y2 = 20.0
y1 = 5.0
inside = 1.0
x2 = 30.0
variable = eta
x1 = 10.0
type = BoundingBoxIC
[../]
[]
(modules/phase_field/test/tests/mobility_derivative/AC_mobility_derivative_coupled_test.i)
[Mesh]
type = GeneratedMesh
dim = 2
nx = 20
ny = 10
xmax = 50
ymin = 25
ymax = 50
[]
[Variables]
[./op]
[../]
[./v]
[../]
[]
[ICs]
[./op_IC]
type = SmoothCircleIC
x1 = 25.0
y1 = 25.0
radius = 15.0
invalue = 0.9
outvalue = 0.1
int_width = 3.0
variable = op
[../]
[./v_IC]
type = BoundingBoxIC
x1 = 0.0
x2 = 25.0
y1 = 0.0
y2 = 50.0
inside = 1.0
outside = 0.0
variable = v
[../]
[]
[Kernels]
[./op_dot]
type = TimeDerivative
variable = op
[../]
[./op_bulk]
type = AllenCahn
variable = op
f_name = F
mob_name = L
coupled_variables = v
[../]
[./op_interface]
type = ACInterface
variable = op
kappa_name = 1
mob_name = L
coupled_variables = v
[../]
[./v_dot]
type = TimeDerivative
variable = v
[../]
[./v_diff]
type = MatDiffusion
variable = v
diffusivity = 50.0
[../]
[]
[Materials]
[./consts]
type = DerivativeParsedMaterial
property_name = L
expression = 'l:=0.1+1*(v+op)^2; if(l<0.01, 0.01, l)'
coupled_variables = 'op v'
outputs = exodus
output_properties = 'L dL/dop dL/dv'
derivative_order = 2
[../]
[./free_energy]
type = DerivativeParsedMaterial
property_name = F
coupled_variables = 'op'
expression = '2*op^2*(1-op)^2 - 0.2*op'
derivative_order = 2
[../]
[]
[Preconditioning]
[./SMP]
type = SMP
full = true
[../]
[]
[Executioner]
type = Transient
scheme = 'bdf2'
solve_type = 'NEWTON'
petsc_options_iname = '-pc_type'
petsc_options_value = 'lu'
l_max_its = 15
l_tol = 1.0e-4
nl_max_its = 15
nl_rel_tol = 1.0e-9
start_time = 0.0
num_steps = 10
dt = 0.2
[]
[Outputs]
time_step_interval = 5
print_linear_residuals = false
exodus = true
[]
(modules/phase_field/test/tests/actions/both_direct_2vars.i)
[Mesh]
type = GeneratedMesh
dim = 2
nx = 9
ny = 6
xmin = 10
xmax = 40
ymin = 15
ymax = 35
elem_type = QUAD
[]
[Modules]
[./PhaseField]
[./Conserved]
[./c]
free_energy = F
mobility = 1.0
kappa = 20.0
coupled_variables = 'eta'
solve_type = direct
[../]
[../]
[./Nonconserved]
[./eta]
free_energy = F
mobility = 1.0
kappa = 20
coupled_variables = 'c'
family = HERMITE
order = THIRD
[../]
[../]
[../]
[]
[ICs]
[./c_IC]
type = BoundingBoxIC
variable = c
x1 = 10
x2 = 25
y1 = 15
y2 = 35
inside = 0.1
outside = 0.9
[../]
[./eta_IC]
type = ConstantIC
variable = eta
value = 0.5
[../]
[]
[Materials]
[./free_energy]
type = DerivativeParsedMaterial
property_name = F
coupled_variables = 'eta c'
expression = '(1 - eta)*10.0*(c - 0.1)^2 + eta*(8.0*(c - 0.9)^2) + 10.0*eta^2*(1-eta)^2'
[../]
[]
[Preconditioning]
[./SMP]
type = SMP
full = true
[../]
[]
[Executioner]
type = Transient
scheme = 'bdf2'
solve_type = 'NEWTON'
petsc_options_iname = '-pc_type -sub_pc_type'
petsc_options_value = 'asm lu'
l_max_its = 15
l_tol = 1.0e-4
nl_max_its = 10
nl_rel_tol = 1.0e-11
start_time = 0.0
num_steps = 5
dt = 0.05
[]
[Outputs]
perf_graph = true
[./out]
type = Exodus
refinements = 2
[../]
[]
(modules/phase_field/test/tests/initial_conditions/BoundingBoxIC.i)
[Mesh]
type = GeneratedMesh
dim = 2
nx = 4
ny = 2
xmax = 50
ymax = 25
elem_type = QUAD4
uniform_refine = 2
[]
[Variables]
[./c]
order = THIRD
family = HERMITE
[../]
[]
[ICs]
[./c_IC]
type = BoundingBoxIC
x1 = 15.0
x2 = 35.0
y1 = 0.0
y2 = 25.0
inside = 1.0
outside = -0.8
variable = c
[../]
[]
[Kernels]
[./ie_c]
type = TimeDerivative
variable = c
[../]
[./CHSolid]
type = CHMath
variable = c
mob_name = M
[../]
[./CHInterface]
type = CHInterface
variable = c
kappa_name = kappa_c
mob_name = M
[../]
[]
[BCs]
[./Periodic]
[./all]
auto_direction = 'x y'
[../]
[../]
[]
[Materials]
[./constant]
type = GenericConstantMaterial
prop_names = 'M kappa_c'
prop_values = '1.0 1.0'
[../]
[]
[Executioner]
type = Transient
scheme = bdf2
solve_type = NEWTON
petsc_options_iname = '-pc_type -pc_hypre_type -ksp_gmres_restart'
petsc_options_value = 'hypre boomeramg 31'
l_max_its = 15
nl_max_its = 10
start_time = 0.0
num_steps = 2
dt = 1.0
[]
[Outputs]
exodus = true
[]
(modules/chemical_reactions/examples/calcium_bicarbonate/calcium_bicarbonate.i)
# Example of reactive transport model with precipitation and dissolution.
# Calcium (ca2) and bicarbonate (hco3) reaction to form calcite (CaCO3).
# Models bicarbonate injection following calcium injection, so that a
# moving reaction front forms a calcite precipitation zone. As the front moves,
# the upstream side of the front continues to form calcite via precipitation,
# while at the downstream side, dissolution of the solid calcite occurs.
#
# The reaction network considered is as follows:
# Aqueous equilibrium reactions:
# a) h+ + hco3- = CO2(aq), Keq = 10^(6.341)
# b) hco3- = h+ + CO23-, Keq = 10^(-10.325)
# c) ca2+ + hco3- = h+ + CaCO3(aq), Keq = 10^(-7.009)
# d) ca2+ + hco3- = cahco3+, Keq = 10^(-0.653)
# e) ca2+ = h+ + CaOh+, Keq = 10^(-12.85)
# f) - h+ = oh-, Keq = 10^(-13.991)
#
# Kinetic reactions
# g) ca2+ + hco3- = h+ + CaCO3(s), A = 0.461 m^2/L, k = 6.456542e-2 mol/m^2 s,
# Keq = 10^(1.8487)
#
# The primary chemical species are h+, hco3- and ca2+. The pressure gradient is fixed,
# and a conservative tracer is also included.
#
# This example is taken from:
# Guo et al, A parallel, fully coupled, fully implicit solution to reactive
# transport in porous media using the preconditioned Jacobian-Free Newton-Krylov
# Method, Advances in Water Resources, 53, 101-108 (2013).
[Mesh]
type = GeneratedMesh
dim = 2
nx = 100
xmax = 1
ymax = 0.25
[]
[Variables]
[./tracer]
[../]
[./ca2+]
[../]
[./h+]
initial_condition = 1.0e-7
scaling = 1e6
[../]
[./hco3-]
[../]
[]
[AuxVariables]
[./pressure]
order = FIRST
family = LAGRANGE
[../]
[]
[ICs]
[./pressure_ic]
type = FunctionIC
variable = pressure
function = pic
[../]
[./hco3_ic]
type = BoundingBoxIC
variable = hco3-
x1 = 0.0
y1 = 0.0
x2 = 1.0e-10
y2 = 0.25
inside = 5.0e-2
outside = 1.0e-6
[../]
[./ca2_ic]
type = BoundingBoxIC
variable = ca2+
x1 = 0.0
y1 = 0.0
x2 = 1.0e-10
y2 = 0.25
inside = 1.0e-6
outside = 5.0e-2
[../]
[./tracer_ic]
type = BoundingBoxIC
variable = tracer
x1 = 0.0
y1 = 0.0
x2 = 1.0e-10
y2 = 0.25
inside = 1.0
outside = 0.0
[../]
[]
[Functions]
[./pic]
type = ParsedFunction
expression = 60-50*x
[../]
[]
[ReactionNetwork]
[./AqueousEquilibriumReactions]
primary_species = 'ca2+ hco3- h+'
secondary_species = 'co2_aq co32- caco3_aq cahco3+ caoh+ oh-'
pressure = pressure
reactions = 'h+ + hco3- = co2_aq 6.341,
hco3- - h+ = co32- -10.325,
ca2+ + hco3- - h+ = caco3_aq -7.009,
ca2+ + hco3- = cahco3+ -0.653,
ca2+ - h+ = caoh+ -12.85,
- h+ = oh- -13.991'
[../]
[./SolidKineticReactions]
primary_species = 'ca2+ hco3- h+'
kin_reactions = 'ca2+ + hco3- - h+ = caco3_s'
secondary_species = caco3_s
log10_keq = 1.8487
reference_temperature = 298.15
system_temperature = 298.15
gas_constant = 8.314
specific_reactive_surface_area = 4.61e-4
kinetic_rate_constant = 6.456542e-7
activation_energy = 1.5e4
[../]
[]
[Kernels]
[./tracer_ie]
type = PrimaryTimeDerivative
variable = tracer
[../]
[./tracer_pd]
type = PrimaryDiffusion
variable = tracer
[../]
[./tracer_conv]
type = PrimaryConvection
variable = tracer
p = pressure
[../]
[./ca2+_ie]
type = PrimaryTimeDerivative
variable = ca2+
[../]
[./ca2+_pd]
type = PrimaryDiffusion
variable = ca2+
[../]
[./ca2+_conv]
type = PrimaryConvection
variable = ca2+
p = pressure
[../]
[./h+_ie]
type = PrimaryTimeDerivative
variable = h+
[../]
[./h+_pd]
type = PrimaryDiffusion
variable = h+
[../]
[./h+_conv]
type = PrimaryConvection
variable = h+
p = pressure
[../]
[./hco3-_ie]
type = PrimaryTimeDerivative
variable = hco3-
[../]
[./hco3-_pd]
type = PrimaryDiffusion
variable = hco3-
[../]
[./hco3-_conv]
type = PrimaryConvection
variable = hco3-
p = pressure
[../]
[]
[BCs]
[./tracer_left]
type = DirichletBC
variable = tracer
boundary = left
value = 1.0
[../]
[./tracer_right]
type = ChemicalOutFlowBC
variable = tracer
boundary = right
[../]
[./ca2+_left]
type = SinDirichletBC
variable = ca2+
boundary = left
initial = 5.0e-2
final = 1.0e-6
duration = 1
[../]
[./ca2+_right]
type = ChemicalOutFlowBC
variable = ca2+
boundary = right
[../]
[./hco3-_left]
type = SinDirichletBC
variable = hco3-
boundary = left
initial = 1.0e-6
final = 5.0e-2
duration = 1
[../]
[./hco3-_right]
type = ChemicalOutFlowBC
variable = hco3-
boundary = right
[../]
[./h+_left]
type = DirichletBC
variable = h+
boundary = left
value = 1.0e-7
[../]
[./h+_right]
type = ChemicalOutFlowBC
variable = h+
boundary = right
[../]
[]
[Materials]
[./porous]
type = GenericConstantMaterial
prop_names = 'diffusivity conductivity porosity'
prop_values = '1e-7 2e-4 0.2'
[../]
[]
[Executioner]
type = Transient
solve_type = PJFNK
l_max_its = 50
l_tol = 1e-5
nl_max_its = 10
nl_rel_tol = 1e-5
end_time = 10
[./TimeStepper]
type = ConstantDT
dt = 0.1
[../]
[]
[Preconditioning]
[./smp]
type = SMP
full = true
[../]
[]
[Outputs]
perf_graph = true
exodus = true
[]
(modules/phase_field/tutorials/spinodal_decomposition/s2_fasttest.i)
#
# Simulation of an iron-chromium alloy using simple code and a test set of
# initial conditions.
#
[Mesh]
# generate a 2D, 25nm x 25nm mesh
type = GeneratedMesh
dim = 2
elem_type = QUAD4
nx = 100
ny = 100
nz = 0
xmin = 0
xmax = 25
ymin = 0
ymax = 25
zmin = 0
zmax = 0
[]
[Variables]
[./c] # Mole fraction of Cr (unitless)
order = FIRST
family = LAGRANGE
[../]
[./w] # Chemical potential (eV/mol)
order = FIRST
family = LAGRANGE
[../]
[]
[ICs]
# Use a bounding box IC at equilibrium concentrations to make sure the
# model behaves as expected.
[./testIC]
type = BoundingBoxIC
variable = c
x1 = 5
x2 = 20
y1 = 5
y2 = 20
inside = 0.823
outside = 0.236
[../]
[]
[BCs]
# periodic BC as is usually done on phase-field models
[./Periodic]
[./c_bcs]
auto_direction = 'x y'
[../]
[../]
[]
[Kernels]
# See wiki page "Developing Phase Field Models" for more information on Split
# Cahn-Hilliard equation kernels.
# http://mooseframework.org/wiki/PhysicsModules/PhaseField/DevelopingModels/
[./w_dot]
variable = w
v = c
type = CoupledTimeDerivative
[../]
[./coupled_res]
variable = w
type = SplitCHWRes
mob_name = M
[../]
[./coupled_parsed]
variable = c
type = SplitCHParsed
f_name = f_loc
kappa_name = kappa_c
w = w
[../]
[]
[Materials]
# d is a scaling factor that makes it easier for the solution to converge
# without changing the results. It is defined in each of the materials and
# must have the same value in each one.
[./constants]
# Define constant values kappa_c and M. Eventually M will be replaced with
# an equation rather than a constant.
type = GenericFunctionMaterial
prop_names = 'kappa_c M'
prop_values = '8.125e-16*6.24150934e+18*1e+09^2*1e-27
2.2841e-26*1e+09^2/6.24150934e+18/1e-27'
# kappa_c*eV_J*nm_m^2*d
# M*nm_m^2/eV_J/d
[../]
[./local_energy]
# Defines the function for the local free energy density as given in the
# problem, then converts units and adds scaling factor.
type = DerivativeParsedMaterial
property_name = f_loc
coupled_variables = c
constant_names = 'A B C D E F G eV_J d'
constant_expressions = '-2.446831e+04 -2.827533e+04 4.167994e+03 7.052907e+03
1.208993e+04 2.568625e+03 -2.354293e+03
6.24150934e+18 1e-27'
expression = 'eV_J*d*(A*c+B*(1-c)+C*c*log(c)+D*(1-c)*log(1-c)+
E*c*(1-c)+F*c*(1-c)*(2*c-1)+G*c*(1-c)*(2*c-1)^2)'
derivative_order = 2
[../]
[]
[Postprocessors]
[./evaluations] # Cumulative residual calculations for simulation
type = NumResidualEvaluations
[../]
[./elapsed]
type = PerfGraphData
section_name = "Root"
data_type = total
[../]
[]
[Preconditioning]
# Preconditioning is required for Newton's method. See wiki page "Solving
# Phase Field Models" for more information.
# http://mooseframework.org/wiki/PhysicsModules/PhaseField/SolvingModels/
[./coupled]
type = SMP
full = true
[../]
[]
[Executioner]
type = Transient
solve_type = NEWTON
l_max_its = 30
l_tol = 1e-6
nl_max_its = 50
nl_abs_tol = 1e-9
end_time = 86400 # 1 day. We only need to run this long enough to verify
# the model is working properly.
petsc_options_iname = '-pc_type -ksp_gmres_restart -sub_ksp_type
-sub_pc_type -pc_asm_overlap'
petsc_options_value = 'asm 31 preonly
ilu 1'
[./TimeStepper]
# Turn on time stepping
type = IterationAdaptiveDT
dt = 10
cutback_factor = 0.8
growth_factor = 1.5
optimal_iterations = 7
[../]
[]
[Debug]
show_var_residual_norms = true
[]
[Outputs]
exodus = true
console = true
csv = true
[./console]
type = Console
max_rows = 10
[../]
[]
(modules/porous_flow/examples/lava_lamp/2phase_convection.i)
# Two phase density-driven convection of dissolved CO2 in brine
#
# Initially, the model has a gas phase at the top with a saturation of 0.29
# (which corresponds to an initial value of zi = 0.2).
# Diffusion of the dissolved CO2
# component from the saturated liquid to the unsaturated liquid below reduces the
# amount of CO2 in the gas phase. As the density of the CO2-saturated brine is greater
# than the unsaturated brine, a gravitational instability arises and density-driven
# convection of CO2-rich fingers descend into the unsaturated brine.
#
# The instability is seeded by a random perturbation to the porosity field.
# Mesh adaptivity is used to refine the mesh as the fingers form.
#
# Note: this model is computationally expensive, so should be run with multiple cores,
# preferably on a cluster.
[GlobalParams]
PorousFlowDictator = 'dictator'
gravity = '0 -9.81 0'
[]
[Adaptivity]
max_h_level = 2
marker = marker
initial_marker = initial
initial_steps = 2
[Indicators]
[indicator]
type = GradientJumpIndicator
variable = zi
[]
[]
[Markers]
[marker]
type = ErrorFractionMarker
indicator = indicator
refine = 0.8
[]
[initial]
type = BoxMarker
bottom_left = '0 1.95 0'
top_right = '2 2 0'
inside = REFINE
outside = DO_NOTHING
[]
[]
[]
[Mesh]
type = GeneratedMesh
dim = 2
ymax = 2
xmax = 2
ny = 40
nx = 40
bias_y = 0.95
[]
[Kernels]
[mass0]
type = PorousFlowMassTimeDerivative
fluid_component = 0
variable = pgas
[]
[flux0]
type = PorousFlowAdvectiveFlux
fluid_component = 0
variable = pgas
[]
[diff0]
type = PorousFlowDispersiveFlux
fluid_component = 0
variable = pgas
disp_long = '0 0'
disp_trans = '0 0'
[]
[mass1]
type = PorousFlowMassTimeDerivative
fluid_component = 1
variable = zi
[]
[flux1]
type = PorousFlowAdvectiveFlux
fluid_component = 1
variable = zi
[]
[diff1]
type = PorousFlowDispersiveFlux
fluid_component = 1
variable = zi
disp_long = '0 0'
disp_trans = '0 0'
[]
[]
[AuxVariables]
[xnacl]
initial_condition = 0.01
[]
[saturation_gas]
order = FIRST
family = MONOMIAL
[]
[xco2l]
order = FIRST
family = MONOMIAL
[]
[density_liquid]
order = FIRST
family = MONOMIAL
[]
[porosity]
order = CONSTANT
family = MONOMIAL
[]
[]
[AuxKernels]
[saturation_gas]
type = PorousFlowPropertyAux
variable = saturation_gas
property = saturation
phase = 1
execute_on = 'timestep_end'
[]
[xco2l]
type = PorousFlowPropertyAux
variable = xco2l
property = mass_fraction
phase = 0
fluid_component = 1
execute_on = 'timestep_end'
[]
[density_liquid]
type = PorousFlowPropertyAux
variable = density_liquid
property = density
phase = 0
execute_on = 'timestep_end'
[]
[]
[Variables]
[pgas]
[]
[zi]
scaling = 1e4
[]
[]
[ICs]
[pressure]
type = FunctionIC
function = 10e6-9.81*1000*y
variable = pgas
[]
[zi]
type = BoundingBoxIC
variable = zi
x1 = 0
x2 = 2
y1 = 1.95
y2 = 2
inside = 0.2
outside = 0
[]
[porosity]
type = RandomIC
variable = porosity
min = 0.25
max = 0.275
seed = 0
[]
[]
[UserObjects]
[dictator]
type = PorousFlowDictator
porous_flow_vars = 'pgas zi'
number_fluid_phases = 2
number_fluid_components = 2
[]
[pc]
type = PorousFlowCapillaryPressureConst
pc = 0
[]
[fs]
type = PorousFlowBrineCO2
brine_fp = brine
co2_fp = co2
capillary_pressure = pc
[]
[]
[FluidProperties]
[co2sw]
type = CO2FluidProperties
[]
[co2]
type = TabulatedBicubicFluidProperties
fp = co2sw
[]
[brine]
type = BrineFluidProperties
[]
[]
[Materials]
[temperature]
type = PorousFlowTemperature
temperature = '45'
[]
[brineco2]
type = PorousFlowFluidState
gas_porepressure = 'pgas'
z = 'zi'
temperature_unit = Celsius
xnacl = 'xnacl'
capillary_pressure = pc
fluid_state = fs
[]
[porosity]
type = PorousFlowPorosityConst
porosity = porosity
[]
[permeability]
type = PorousFlowPermeabilityConst
permeability = '1e-11 0 0 0 1e-11 0 0 0 1e-11'
[]
[relperm_water]
type = PorousFlowRelativePermeabilityCorey
phase = 0
n = 2
s_res = 0.1
sum_s_res = 0.2
[]
[relperm_gas]
type = PorousFlowRelativePermeabilityCorey
phase = 1
n = 2
s_res = 0.1
sum_s_res = 0.2
[]
[diffusivity]
type = PorousFlowDiffusivityConst
diffusion_coeff = '2e-9 2e-9 2e-9 2e-9'
tortuosity = '1 1'
[]
[]
[Preconditioning]
active = basic
[mumps_is_best_for_parallel_jobs]
type = SMP
full = true
petsc_options_iname = '-pc_type -pc_factor_mat_solver_package'
petsc_options_value = ' lu mumps'
[]
[basic]
type = SMP
full = true
petsc_options_iname = '-ksp_type -pc_type -sub_pc_type -sub_pc_factor_shift_type -pc_asm_overlap'
petsc_options_value = 'gmres asm lu NONZERO 2 '
[]
[]
[Executioner]
type = Transient
solve_type = NEWTON
end_time = 1e6
nl_max_its = 25
l_max_its = 100
dtmax = 1e4
nl_abs_tol = 1e-6
[TimeStepper]
type = IterationAdaptiveDT
dt = 10
growth_factor = 2
cutback_factor = 0.5
[]
[]
[Functions]
[flux]
type = ParsedFunction
symbol_values = 'delta_xco2 dt'
symbol_names = 'dx dt'
expression = 'dx/dt'
[]
[]
[Postprocessors]
[total_co2_in_gas]
type = PorousFlowFluidMass
phase = 1
fluid_component = 1
[]
[total_co2_in_liquid]
type = PorousFlowFluidMass
phase = 0
fluid_component = 1
[]
[numdofs]
type = NumDOFs
[]
[delta_xco2]
type = ChangeOverTimePostprocessor
postprocessor = total_co2_in_liquid
[]
[dt]
type = TimestepSize
[]
[flux]
type = FunctionValuePostprocessor
function = flux
[]
[]
[Outputs]
print_linear_residuals = false
perf_graph = true
exodus = true
csv = true
[]
(modules/misc/test/tests/dynamic_loading/dynamic_load_multiapp/phase_field_sub.i)
# This input file contains objects only available in phase_field
[Mesh]
type = GeneratedMesh
dim = 2
nx = 4
ny = 2
nz = 0
xmax = 50
ymax = 25
zmax = 0
elem_type = QUAD4
uniform_refine = 2
[]
[Variables]
[./c]
order = THIRD
family = HERMITE
[./InitialCondition]
type = BoundingBoxIC
x1 = 15.0
x2 = 35.0
y1 = 0.0
y2 = 25.0
inside = 1.0
outside = -0.8
variable = c
[../]
[../]
[]
[Kernels]
[./ie_c]
type = TimeDerivative
variable = c
[../]
[./CHSolid]
type = CHMath
variable = c
mob_name = M
[../]
[./CHInterface]
type = CHInterface
variable = c
kappa_name = kappa_c
mob_name = M
[../]
[]
[BCs]
[./Periodic]
[./all]
auto_direction = 'x y'
[../]
[../]
[]
[Materials]
[./constant]
type = GenericConstantMaterial
prop_names = 'M kappa_c'
prop_values = '1.0 1.0'
block = 0
[../]
[]
[Executioner]
type = Transient
scheme = bdf2
solve_type = PJFNK
petsc_options_iname = '-pc_type -pc_hypre_type -ksp_gmres_restart'
petsc_options_value = 'hypre boomeramg 101'
l_max_its = 15
nl_max_its = 10
start_time = 0.0
num_steps = 2
dt = 1.0
[]
[Outputs]
exodus = true
[]
(modules/misc/test/tests/dynamic_loading/dynamic_obj_registration/dynamic_objects2.i)
# This input file contains some objects only available through heat_transfer
[Mesh]
type = GeneratedMesh
dim = 2
nx = 4
ny = 2
xmax = 50
ymax = 25
elem_type = QUAD4
uniform_refine = 2
[]
[Variables]
[c]
order = THIRD
family = HERMITE
[]
[]
[ICs]
[c_IC]
type = BoundingBoxIC
x1 = 15.0
x2 = 35.0
y1 = 0.0
y2 = 25.0
inside = 1.0
outside = -0.8
variable = c
[]
[]
[Kernels]
[ie_c]
type = TimeDerivative
variable = c
[]
[d]
type = Diffusion
variable = c
[]
[s]
type = HeatSource
variable = c
[]
[]
[BCs]
[Periodic]
[all]
auto_direction = 'x y'
[]
[]
[]
[Executioner]
type = Transient
scheme = bdf2
solve_type = NEWTON
petsc_options_iname = '-pc_type -pc_hypre_type -ksp_gmres_restart'
petsc_options_value = 'hypre boomeramg 31'
l_max_its = 15
nl_max_its = 10
start_time = 0.0
num_steps = 2
dt = 1.0
[]
[Problem]
register_objects_from = 'HeatTransferApp'
library_path = '../../../../../heat_transfer/lib'
[]
(modules/phase_field/test/tests/mobility_derivative/mobility_derivative_split_coupled_test.i)
[Mesh]
type = GeneratedMesh
dim = 2
nx = 30
ny = 30
xmax = 30.0
ymax = 30.0
elem_type = QUAD4
[]
[Variables]
[./c]
[../]
[./w]
[../]
[./d]
[../]
[]
[ICs]
[./c_IC]
type = CrossIC
x1 = 0.0
x2 = 30.0
y1 = 0.0
y2 = 30.0
variable = c
[../]
[./d_IC]
type = BoundingBoxIC
x1 = 0.0
x2 = 15.0
y1 = 0.0
y2 = 30.0
inside = 1.0
outside = 0.0
variable = d
[../]
[]
[Kernels]
[./cres]
type = SplitCHParsed
variable = c
kappa_name = kappa_c
w = w
f_name = F
[../]
[./wres]
type = SplitCHWRes
variable = w
mob_name = M
coupled_variables = 'c d'
[../]
[./time]
type = CoupledTimeDerivative
variable = w
v = c
[../]
[./d_dot]
type = TimeDerivative
variable = d
[../]
[./d_diff]
type = MatDiffusion
variable = d
diffusivity = diffusivity
[../]
[]
[BCs]
[./Periodic]
[./all]
auto_direction = 'x y'
[../]
[../]
[]
[Materials]
[./kappa]
type = GenericConstantMaterial
prop_names = 'kappa_c'
prop_values = '2.0'
[../]
[./mob]
type = DerivativeParsedMaterial
property_name = M
coupled_variables = 'c d'
expression = 'if(d>0.001,d,0.001)*(1-0.5*c^2)'
outputs = exodus
derivative_order = 1
[../]
[./free_energy]
type = MathEBFreeEnergy
property_name = F
c = c
[../]
[./d_diff]
type = GenericConstantMaterial
prop_names = diffusivity
prop_values = 0.1
[../]
[]
[Preconditioning]
[./SMP]
type = SMP
full = true
[../]
[]
[Executioner]
type = Transient
scheme = 'BDF2'
solve_type = 'NEWTON'
petsc_options_iname = '-pc_type -ksp_gmres_restart -sub_pc_type -pc_asm_overlap'
petsc_options_value = 'asm 31 lu 1'
l_max_its = 30
l_tol = 1.0e-4
nl_max_its = 50
nl_rel_tol = 1.0e-10
dt = 10.0
num_steps = 2
[]
[Outputs]
exodus = true
[]
(modules/porous_flow/test/tests/chemistry/2species_equilibrium.i)
# PorousFlow analogy of chemical_reactions/test/tests/aqueous_equilibrium/2species.i
#
# Simple equilibrium reaction example to illustrate the use of PorousFlowMassFractionAqueousEquilibriumChemistry
#
# In this example, two primary species a and b are transported by diffusion and convection
# from the left of the porous medium, reacting to form two equilibrium species pa2 and pab
# according to the equilibrium reaction:
#
# reactions = '2a = pa2 rate = 10^2
# a + b = pab rate = 10^-2'
#
[Mesh]
type = GeneratedMesh
dim = 2
nx = 10
[]
[Variables]
[a]
order = FIRST
family = LAGRANGE
[InitialCondition]
type = BoundingBoxIC
x1 = 0.0
y1 = 0.0
x2 = 1.0e-10
y2 = 1
inside = 1.0e-2
outside = 1.0e-10
[]
[]
[b]
order = FIRST
family = LAGRANGE
[InitialCondition]
type = BoundingBoxIC
x1 = 0.0
y1 = 0.0
x2 = 1.0e-10
y2 = 1
inside = 1.0e-2
outside = 1.0e-10
[]
[]
[]
[AuxVariables]
[eqm_k0]
initial_condition = 1E2
[]
[eqm_k1]
initial_condition = 1E-2
[]
[pressure]
[]
[pa2]
family = MONOMIAL
order = CONSTANT
[]
[pab]
family = MONOMIAL
order = CONSTANT
[]
[]
[AuxKernels]
[pa2]
type = PorousFlowPropertyAux
property = secondary_concentration
secondary_species = 0
variable = pa2
[]
[pab]
type = PorousFlowPropertyAux
property = secondary_concentration
secondary_species = 1
variable = pab
[]
[]
[ICs]
[pressure]
type = FunctionIC
variable = pressure
function = 2-x
[]
[]
[GlobalParams]
PorousFlowDictator = dictator
gravity = '0 0 0'
[]
[Kernels]
[mass_a]
type = PorousFlowMassTimeDerivative
fluid_component = 0
variable = a
[]
[flux_a]
type = PorousFlowFullySaturatedDarcyFlow
variable = a
fluid_component = 0
[]
[diff_a]
type = PorousFlowDispersiveFlux
variable = a
fluid_component = 0
disp_trans = 0
disp_long = 0
[]
[mass_b]
type = PorousFlowMassTimeDerivative
fluid_component = 1
variable = b
[]
[flux_b]
type = PorousFlowFullySaturatedDarcyFlow
variable = b
fluid_component = 1
[]
[diff_b]
type = PorousFlowDispersiveFlux
variable = b
fluid_component = 1
disp_trans = 0
disp_long = 0
[]
[]
[UserObjects]
[dictator]
type = PorousFlowDictator
porous_flow_vars = 'a b'
number_fluid_phases = 1
number_fluid_components = 3
number_aqueous_equilibrium = 2
[]
[]
[FluidProperties]
[simple_fluid]
type = SimpleFluidProperties
bulk_modulus = 2e9 # huge, so mimic chemical_reactions
density0 = 1000
thermal_expansion = 0
viscosity = 1e-3
[]
[]
[Materials]
[temperature]
type = PorousFlowTemperature
[]
[ppss]
type = PorousFlow1PhaseFullySaturated
porepressure = pressure
[]
[massfrac]
type = PorousFlowMassFractionAqueousEquilibriumChemistry
mass_fraction_vars = 'a b'
num_reactions = 2
equilibrium_constants = 'eqm_k0 eqm_k1'
primary_activity_coefficients = '1 1'
secondary_activity_coefficients = '1 1'
reactions = '2 0
1 1'
[]
[simple_fluid]
type = PorousFlowSingleComponentFluid
fp = simple_fluid
phase = 0
[]
[porosity]
type = PorousFlowPorosityConst
porosity = 0.2
[]
[permeability]
type = PorousFlowPermeabilityConst
# porous_flow permeability / porous_flow viscosity = chemical_reactions conductivity = 1E-4
permeability = '1E-7 0 0 0 1E-7 0 0 0 1E-7'
[]
[relp]
type = PorousFlowRelativePermeabilityConst
phase = 0
[]
[diff]
type = PorousFlowDiffusivityConst
# porous_flow diffusion_coeff * tortuousity * porosity = chemical_reactions diffusivity = 1E-4
diffusion_coeff = '5E-4 5E-4 5E-4'
tortuosity = 1.0
[]
[]
[BCs]
[a_left]
type = DirichletBC
variable = a
boundary = left
value = 1.0e-2
[]
[b_left]
type = DirichletBC
variable = b
boundary = left
value = 1.0e-2
[]
[]
[Preconditioning]
[smp]
type = SMP
full = true
[]
[]
[Executioner]
type = Transient
solve_type = Newton
dt = 10
end_time = 100
[]
[Outputs]
print_linear_residuals = true
exodus = true
perf_graph = true
hide = eqm_k0
[]
(modules/phase_field/test/tests/flood_counter_aux_test/boundary_intersection.i)
[Mesh]
[gen]
type = GeneratedMeshGenerator
dim = 2
nx = 10
ny = 50
xmax = 10
ymax = 50
[]
[]
[Variables]
[u]
[]
[]
[AuxVariables]
[v]
order = CONSTANT
family = MONOMIAL
[]
[pid]
[]
[]
[Kernels]
[diff]
type = Diffusion
variable = u
[]
[dot]
type = TimeDerivative
variable = u
[]
[]
[AuxKernels]
[intersect]
type = FeatureFloodCountAux
variable = v
flood_counter = intersection
field_display = INTERSECTS_SPECIFIED_BOUNDARY
execute_on = 'initial timestep_end'
[]
[pid]
type = ProcessorIDAux
variable = pid
[]
[]
[ICs]
[v]
type = BoundingBoxIC
variable = u
inside = 1
outside = 0
x1 = 3
x2 = 7
y1 = 0
y2 = 45
[]
[]
[Postprocessors]
[intersection]
type = FeatureFloodCount
variable = u
threshold = 0.3
specified_boundaries = bottom
compute_var_to_feature_map = true
execute_on = 'initial timestep_end'
[]
[vint]
type = ElementIntegralVariablePostprocessor
variable = v
[]
[]
[Executioner]
type = Transient
dt = 0.01
num_steps = 2
[]
[Outputs]
execute_on = 'timestep_end'
csv = true
[]
(modules/phase_field/tutorials/spinodal_decomposition/s1_testmodel.i)
#
# Simulation of an iron-chromium alloy using simplest possible code and a test
# set of initial conditions.
#
[Mesh]
# generate a 2D, 25nm x 25nm mesh
type = GeneratedMesh
dim = 2
elem_type = QUAD4
nx = 100
ny = 100
nz = 0
xmin = 0
xmax = 25
ymin = 0
ymax = 25
zmin = 0
zmax = 0
[]
[Variables]
[./c] # Mole fraction of Cr (unitless)
order = FIRST
family = LAGRANGE
[../]
[./w] # Chemical potential (eV/mol)
order = FIRST
family = LAGRANGE
[../]
[]
[ICs]
# Use a bounding box IC at equilibrium concentrations to make sure the
# model behaves as expected.
[./testIC]
type = BoundingBoxIC
variable = c
x1 = 5
x2 = 20
y1 = 5
y2 = 20
inside = 0.823
outside = 0.236
[../]
[]
[BCs]
# periodic BC as is usually done on phase-field models
[./Periodic]
[./c_bcs]
auto_direction = 'x y'
[../]
[../]
[]
[Kernels]
# See wiki page "Developing Phase Field Models" for more information on Split
# Cahn-Hilliard equation kernels.
# http://mooseframework.org/wiki/PhysicsModules/PhaseField/DevelopingModels/
[./w_dot]
variable = w
v = c
type = CoupledTimeDerivative
[../]
[./coupled_res]
variable = w
type = SplitCHWRes
mob_name = M
[../]
[./coupled_parsed]
variable = c
type = SplitCHParsed
f_name = f_loc
kappa_name = kappa_c
w = w
[../]
[]
[Materials]
# d is a scaling factor that makes it easier for the solution to converge
# without changing the results. It is defined in each of the materials and
# must have the same value in each one.
[./constants]
# Define constant values kappa_c and M. Eventually M will be replaced with
# an equation rather than a constant.
type = GenericFunctionMaterial
prop_names = 'kappa_c M'
prop_values = '8.125e-16*6.24150934e+18*1e+09^2*1e-27
2.2841e-26*1e+09^2/6.24150934e+18/1e-27'
# kappa_c*eV_J*nm_m^2*d
# M*nm_m^2/eV_J/d
[../]
[./local_energy]
# Defines the function for the local free energy density as given in the
# problem, then converts units and adds scaling factor.
type = DerivativeParsedMaterial
property_name = f_loc
coupled_variables = c
constant_names = 'A B C D E F G eV_J d'
constant_expressions = '-2.446831e+04 -2.827533e+04 4.167994e+03 7.052907e+03
1.208993e+04 2.568625e+03 -2.354293e+03
6.24150934e+18 1e-27'
expression = 'eV_J*d*(A*c+B*(1-c)+C*c*log(c)+D*(1-c)*log(1-c)+
E*c*(1-c)+F*c*(1-c)*(2*c-1)+G*c*(1-c)*(2*c-1)^2)'
[../]
[]
[Preconditioning]
# Preconditioning is required for Newton's method. See wiki page "Solving
# Phase Field Models" for more information.
# http://mooseframework.org/wiki/PhysicsModules/PhaseField/SolvingModels/
[./coupled]
type = SMP
full = true
[../]
[]
[Executioner]
type = Transient
solve_type = NEWTON
l_max_its = 30
l_tol = 1e-6
nl_max_its = 50
nl_abs_tol = 1e-9
end_time = 86400 # 1 day. We only need to run this long enough to verify
# the model is working properly.
petsc_options_iname = '-pc_type -ksp_gmres_restart -sub_ksp_type
-sub_pc_type -pc_asm_overlap'
petsc_options_value = 'asm 31 preonly
ilu 1'
dt = 100
[]
[Outputs]
exodus = true
console = true
[]
(test/tests/indicators/value_jump_indicator/value_jump_indicator_test.i)
[Mesh]
type = GeneratedMesh
dim = 2
nx = 10
ny = 10
[]
[Adaptivity]
[./Indicators]
[./error]
type = ValueJumpIndicator
variable = something
[../]
[../]
[]
[Variables]
[./u]
order = FIRST
family = LAGRANGE
[../]
[]
[ICs]
[./leftright]
type = BoundingBoxIC
variable = something
inside = 1
y2 = 1
y1 = 0
x2 = 0.5
x1 = 0
[../]
[]
[AuxVariables]
[./something]
order = CONSTANT
family = MONOMIAL
[../]
[]
[Kernels]
[./diff]
type = Diffusion
variable = u
[../]
[]
[BCs]
[./left]
type = DirichletBC
variable = u
boundary = 'left'
value = 0
[../]
[./right]
type = DirichletBC
variable = u
boundary = 'right'
value = 1
[../]
[]
[Problem]
type = FEProblem
solve = false
[]
[Executioner]
type = Steady
solve_type = PJFNK
[]
[Outputs]
exodus = true
[]
(modules/chemical_reactions/test/tests/aqueous_equilibrium/2species.i)
# Simple equilibrium reaction example to illustrate the use of the AqueousEquilibriumReactions
# action.
# In this example, two primary species a and b are transported by diffusion and convection
# from the left of the porous medium, reacting to form two equilibrium species pa2 and pab
# according to the equilibrium reaction specified in the AqueousEquilibriumReactions block as:
#
# reactions = '2a = pa2 2
# a + b = pab -2'
#
# where the 2 is the weight of the equilibrium species, the 2 on the RHS of the first reaction
# refers to the equilibrium constant (log10(Keq) = 2), and the -2 on the RHS of the second
# reaction equates to log10(Keq) = -2.
#
# The AqueousEquilibriumReactions action creates all the required kernels and auxkernels
# to compute the reaction given by the above equilibrium reaction equation.
#
# Specifically, it adds to following:
# * An AuxVariable named 'pa2' (given in the reactions equations)
# * An AuxVariable named 'pab' (given in the reactions equations)
# * A AqueousEquilibriumRxnAux AuxKernel for each AuxVariable with all parameters
# * A CoupledBEEquilibriumSub Kernel for each primary species with all parameters
# * A CoupledDiffusionReactionSub Kernel for each primary species with all parameters
# * A CoupledConvectionReactionSub Kernel for each primary species with all parameters if
# pressure is a coupled variable
[Mesh]
type = GeneratedMesh
dim = 2
nx = 10
[]
[Variables]
[./a]
order = FIRST
family = LAGRANGE
[./InitialCondition]
type = BoundingBoxIC
x1 = 0.0
y1 = 0.0
x2 = 1.0e-10
y2 = 1
inside = 1.0e-2
outside = 1.0e-10
[../]
[../]
[./b]
order = FIRST
family = LAGRANGE
[./InitialCondition]
type = BoundingBoxIC
x1 = 0.0
y1 = 0.0
x2 = 1.0e-10
y2 = 1
inside = 1.0e-2
outside = 1.0e-10
[../]
[../]
[]
[AuxVariables]
[./pressure]
order = FIRST
family = LAGRANGE
[../]
[]
[ICs]
[./pressure]
type = FunctionIC
variable = pressure
function = 2-x
[../]
[]
[ReactionNetwork]
[./AqueousEquilibriumReactions]
primary_species = 'a b'
reactions = '2a = pa2 2,
a + b = pab -2'
secondary_species = 'pa2 pab'
pressure = pressure
[../]
[]
[Kernels]
[./a_ie]
type = PrimaryTimeDerivative
variable = a
[../]
[./a_diff]
type = PrimaryDiffusion
variable = a
[../]
[./a_conv]
type = PrimaryConvection
variable = a
p = pressure
[../]
[./b_ie]
type = PrimaryTimeDerivative
variable = b
[../]
[./b_diff]
type = PrimaryDiffusion
variable = b
[../]
[./b_conv]
type = PrimaryConvection
variable = b
p = pressure
[../]
[]
[BCs]
[./a_left]
type = DirichletBC
variable = a
boundary = left
value = 1.0e-2
[../]
[./a_right]
type = ChemicalOutFlowBC
variable = a
boundary = right
[../]
[./b_left]
type = DirichletBC
variable = b
boundary = left
value = 1.0e-2
[../]
[./b_right]
type = ChemicalOutFlowBC
variable = b
boundary = right
[../]
[]
[Materials]
[./porous]
type = GenericConstantMaterial
prop_names = 'diffusivity conductivity porosity'
prop_values = '1e-4 1e-4 0.2'
[../]
[]
[Executioner]
type = Transient
solve_type = PJFNK
petsc_options_iname = '-pc_type -pc_hypre_type'
petsc_options_value = 'hypre boomeramg'
nl_abs_tol = 1e-12
start_time = 0.0
end_time = 100
dt = 10.0
[]
[Outputs]
file_base = 2species_out
exodus = true
perf_graph = true
print_linear_residuals = true
[]
[Preconditioning]
[./smp]
type = SMP
full = true
[../]
[]
(test/tests/ics/bounding_box_ic/bounding_box_ic_diffuse_test.i)
[Mesh]
[./square]
type = GeneratedMeshGenerator
nx = 2
ny = 2
dim = 2
[../]
uniform_refine = 3
[]
[Variables]
active = 'u'
[./u]
order = FIRST
family = LAGRANGE
[./InitialCondition]
type = BoundingBoxIC
x1 = 0.1
y1 = 0.1
x2 = 0.6
y2 = 0.6
inside = 2.3
outside = 4.6
int_width = 0.2
[../]
[../]
[]
[AuxVariables]
active = 'u_aux'
[./u_aux]
order = FIRST
family = LAGRANGE
[./InitialCondition]
type = BoundingBoxIC
x1 = 0.1
y1 = 0.1
x2 = 0.6
y2 = 0.6
inside = 1.34
outside = 6.67
int_width = 0.2
[../]
[../]
[]
[Kernels]
active = 'diff'
[./diff]
type = Diffusion
variable = u
[../]
[]
[BCs]
active = 'left right'
[./left]
type = DirichletBC
variable = u
boundary = 3
value = 0
[../]
[./right]
type = DirichletBC
variable = u
boundary = 1
value = 1
[../]
[]
[Executioner]
type = Steady
solve_type = 'PJFNK'
[]
[Outputs]
exodus = true
[]
(modules/phase_field/test/tests/rigidbodymotion/grain_motion.i)
# test file for applyting advection term and observing rigid body motion of grains
[Mesh]
type = GeneratedMesh
dim = 2
nx = 25
ny = 15
nz = 0
xmax = 50
ymax = 25
zmax = 0
elem_type = QUAD4
[]
[Variables]
[./c]
order = FIRST
family = LAGRANGE
[../]
[./w]
order = FIRST
family = LAGRANGE
[../]
[./eta]
order = FIRST
family = LAGRANGE
[../]
[]
[Kernels]
[./c_res]
type = SplitCHParsed
variable = c
f_name = F
kappa_name = kappa_c
w = w
coupled_variables = eta
[../]
[./w_res]
type = SplitCHWRes
variable = w
mob_name = M
[../]
[./time]
type = CoupledTimeDerivative
variable = w
v = c
[../]
[./motion]
type = MultiGrainRigidBodyMotion
variable = w
c = c
v = eta
grain_tracker_object = grain_center
grain_force = grain_force
grain_volumes = grain_volumes
[../]
[./eta_dot]
type = TimeDerivative
variable = eta
[../]
[./vadv_eta]
type = SingleGrainRigidBodyMotion
variable = eta
c = c
v = eta
grain_tracker_object = grain_center
grain_force = grain_force
grain_volumes = grain_volumes
[../]
[./acint_eta]
type = ACInterface
variable = eta
mob_name = M
coupled_variables = c
kappa_name = kappa_eta
[../]
[./acbulk_eta]
type = AllenCahn
variable = eta
mob_name = M
f_name = F
coupled_variables = c
[../]
[]
[Materials]
[./pfmobility]
type = GenericConstantMaterial
prop_names = 'M kappa_c kappa_eta'
prop_values = '5.0 2.0 0.1'
[../]
[./free_energy]
type = DerivativeParsedMaterial
coupled_variables = 'c eta'
constant_names = 'barr_height cv_eq'
constant_expressions = '0.1 1.0e-2'
expression = 16*barr_height*(c-cv_eq)^2*(1-cv_eq-c)^2+(c-eta)^2
derivative_order = 2
[../]
[]
[VectorPostprocessors]
[./forces]
type = GrainForcesPostprocessor
grain_force = grain_force
[../]
[./grain_volumes]
type = FeatureVolumeVectorPostprocessor
flood_counter = grain_center
execute_on = 'initial timestep_begin'
[../]
[]
[UserObjects]
[./grain_center]
type = GrainTracker
variable = eta
outputs = none
compute_var_to_feature_map = true
execute_on = 'initial timestep_begin'
[../]
[./grain_force]
type = ConstantGrainForceAndTorque
execute_on = 'linear nonlinear'
force = '0.5 0.0 0.0 '
torque = '0.0 0.0 10.0 '
[../]
[]
[Preconditioning]
[./SMP]
type = SMP
full = true
[../]
[]
[Executioner]
type = Transient
nl_max_its = 30
scheme = bdf2
solve_type = NEWTON
petsc_options_iname = '-pc_type -ksp_gmres_restart -sub_ksp_type -sub_pc_type -pc_asm_overlap'
petsc_options_value = 'asm 31 preonly lu 1'
l_max_its = 30
l_tol = 1.0e-4
nl_rel_tol = 1.0e-10
start_time = 0.0
dt = 0.2
num_steps = 1
[]
[Outputs]
exodus = true
[]
[ICs]
[./rect_c]
y2 = 20.0
y1 = 5.0
inside = 1.0
x2 = 30.0
variable = c
x1 = 10.0
type = BoundingBoxIC
[../]
[./rect_eta]
y2 = 20.0
y1 = 5.0
inside = 1.0
x2 = 30.0
variable = eta
x1 = 10.0
type = BoundingBoxIC
[../]
[]