DiscreteNucleationData

Output diagnostic data on a DiscreteNucleationInserter

The data to be extracted from the DiscreteNucleationInserter is selected using the value parameter, which has the following options:

`value`	Output
\|`COUNT`\| Number of currently active nucleation sites maintained by the inserter\|
\|`UPDATE`\| Boolean (0/1) value denoting if at least one new nucleus was inserted or removed (i.e. its hold time expired) for the current timestep\|
\|`RATE`\| Total nucleation rate per unit time for the entire domain\|
\|`INSERTIONS`\| Number of new nucleation points added to the inserter's list\|
\|`DELETIONS`	Number of nucleation points that were removed due to their hold time having expired\|

The DiscreteNucleationData postprocessor is part of the Discrete Nucleation system.

Input Parameters

inserterDiscreteNucleationInserter user object
C++ Type:UserObjectName
Options:
Description:DiscreteNucleationInserter user object
valueCOUNTSelect to output number of active nuclei, wether a change to the nucleus list occurred, the total rate over the entire domain, and numbers of insertions and deletions applied to the nucleus list.
Default:COUNT
C++ Type:MooseEnum
Options:COUNT, UPDATE, RATE, INSERTIONS, DELETIONS
Description:Select to output number of active nuclei, wether a change to the nucleus list occurred, the total rate over the entire domain, and numbers of insertions and deletions applied to the nucleus list.

Required Parameters

execute_onTIMESTEP_ENDThe list of flag(s) indicating when this object should be executed, the available options include NONE, INITIAL, LINEAR, NONLINEAR, TIMESTEP_END, TIMESTEP_BEGIN, FINAL, CUSTOM.
Default:TIMESTEP_END
C++ Type:ExecFlagEnum
Options:NONE, INITIAL, LINEAR, NONLINEAR, TIMESTEP_END, TIMESTEP_BEGIN, FINAL, CUSTOM, TRANSFER
Description:The list of flag(s) indicating when this object should be executed, the available options include NONE, INITIAL, LINEAR, NONLINEAR, TIMESTEP_END, TIMESTEP_BEGIN, FINAL, CUSTOM.

Optional Parameters

allow_duplicate_execution_on_initialFalseIn the case where this UserObject is depended upon by an initial condition, allow it to be executed twice during the initial setup (once before the IC and again after mesh adaptivity (if applicable).
Default:False
C++ Type:bool
Options:
Description:In the case where this UserObject is depended upon by an initial condition, allow it to be executed twice during the initial setup (once before the IC and again after mesh adaptivity (if applicable).
control_tagsAdds user-defined labels for accessing object parameters via control logic.
C++ Type:std::vector<std::string>
Options:
Description:Adds user-defined labels for accessing object parameters via control logic.
enableTrueSet the enabled status of the MooseObject.
Default:True
C++ Type:bool
Options:
Description:Set the enabled status of the MooseObject.
force_preauxFalseForces the GeneralUserObject to be executed in PREAUX
Default:False
C++ Type:bool
Options:
Description:Forces the GeneralUserObject to be executed in PREAUX
force_preicFalseForces the GeneralUserObject to be executed in PREIC during initial setup
Default:False
C++ Type:bool
Options:
Description:Forces the GeneralUserObject to be executed in PREIC during initial setup
outputsVector of output names were you would like to restrict the output of variables(s) associated with this object
C++ Type:std::vector<OutputName>
Options:
Description:Vector of output names were you would like to restrict the output of variables(s) associated with this object
use_displaced_meshFalseWhether or not this object should use the displaced mesh for computation. Note that in the case this is true but no displacements are provided in the Mesh block the undisplaced mesh will still be used.
Default:False
C++ Type:bool
Options:
Description:Whether or not this object should use the displaced mesh for computation. Note that in the case this is true but no displacements are provided in the Mesh block the undisplaced mesh will still be used.

Advanced Parameters

Input Files

(modules/phase_field/test/tests/Nucleation/data.i)
(modules/phase_field/examples/nucleation/refine.i)

References

(modules/phase_field/test/tests/Nucleation/data.i)

[Mesh]
  type = GeneratedMesh
  dim = 2
  nx = 2
  ny = 2
  nz = 0
  xmin = 0
  xmax = 20
  ymin = 0
  ymax = 20
  elem_type = QUAD4
[]

[Variables]
  [./c]
    order = FIRST
    family = LAGRANGE
  [../]
[]

[UserObjects]
  [./inserter]
    type = DiscreteNucleationInserter
    hold_time = 0.5
    probability = 0.0076
    radius = 3.27
  [../]
[]

[Postprocessors]
  [./nuc_count]
    type = DiscreteNucleationData
    inserter = inserter
    value = COUNT
  [../]
  [./nuc_update]
    type = DiscreteNucleationData
    inserter = inserter
    value = UPDATE
  [../]
  [./nuc_rate]
    type = DiscreteNucleationData
    inserter = inserter
    value = RATE
  [../]
  [./nuc_insertions]
    type = DiscreteNucleationData
    inserter = inserter
    value = INSERTIONS
  [../]
  [./nuc_deletions]
    type = DiscreteNucleationData
    inserter = inserter
    value = DELETIONS
  [../]
[]

[Executioner]
  type = Transient
  num_steps = 10
  dt = 0.55
[]

[Problem]
  kernel_coverage_check = false
  solve = false
[]

[Outputs]
  execute_on = 'timestep_end'
  csv = true
[]

(modules/phase_field/examples/nucleation/refine.i)

#
# Example derived from cahn_hilliard.i demonstrating the use of Adaptivity
# with the DiscreteNucleation system. The DiscreteNucleationMarker triggers
# mesh refinement for the nucleus geometry. It is up to the user to specify
# refinement for the physics. In this example this is done using a GradientJumpIndicator
# with a ValueThresholdMarker. The nucleation system marker and the physics marker
# must be combined using a ComboMarker to combine their effect.
#

[Mesh]
  type = GeneratedMesh
  dim = 2
  nx = 10
  ny = 10
  xmax = 500
  ymax = 500
  elem_type = QUAD
[]

[Modules]
  [./PhaseField]
    [./Conserved]
      [./c]
        free_energy = F
        mobility = M
        kappa = kappa_c
        solve_type = REVERSE_SPLIT
      [../]
    [../]
  [../]
[]

[ICs]
  [./c_IC]
    type = ConstantIC
    variable = c
    value = 0.2
  [../]
[]

[Materials]
  [./pfmobility]
    type = GenericConstantMaterial
    prop_names  = 'M kappa_c'
    prop_values = '1 25'
  [../]
  [./chemical_free_energy]
    # simple double well free energy
    type = DerivativeParsedMaterial
    f_name = Fc
    args = 'c'
    constant_names       = 'barr_height  cv_eq'
    constant_expressions = '0.1          0'
    function = 16*barr_height*c^2*(1-c)^2 # +0.01*(c*plog(c,0.005)+(1-c)*plog(1-c,0.005))
    derivative_order = 2
    outputs = exodus
  [../]
  [./probability]
    # This is a made up toy nucleation rate it should be replaced by
    # classical nucleation theory in a real simulation.
    type = ParsedMaterial
    f_name = P
    args = c
    function = 'if(c<0.21,c*1e-8,0)'
    outputs = exodus
  [../]
  [./nucleation]
    # The nucleation material is configured to insert nuclei into the free energy
    # tht force the concentration to go to 0.95, and holds this enforcement for 500
    # time units.
    type = DiscreteNucleation
    f_name = Fn
    op_names  = c
    op_values = 0.90
    penalty = 5
    penalty_mode = MIN
    map = map
    outputs = exodus
  [../]
  [./free_energy]
    # add the chemical and nucleation free energy contributions together
    type = DerivativeSumMaterial
    derivative_order = 2
    args = c
    sum_materials = 'Fc Fn'
  [../]
[]

[UserObjects]
  [./inserter]
    # The inserter runs at the end of each time step to add nucleation events
    # that happened during the timestep (if it converged) to the list of nuclei
    type = DiscreteNucleationInserter
    hold_time = 50
    probability = P
    radius = 10
  [../]
  [./map]
    # The map UO runs at the beginning of a timestep and generates a per-element/qp
    # map of nucleus locations. The map is only regenerated if the mesh changed or
    # the list of nuclei was modified.
    # The map converts the nucleation points into finite area objects with a given radius.
    type = DiscreteNucleationMap
    periodic = c
    inserter = inserter
  [../]
[]

[Preconditioning]
  [./SMP]
    type = SMP
    full = true
  [../]
[]

[BCs]
  [./Periodic]
    [./all]
      auto_direction = 'x y'
    [../]
  [../]
[]

[Postprocessors]
  [./dt]
    type = TimestepSize
  [../]
  [./ndof]
    type = NumDOFs
  [../]
  [./rate]
    type = DiscreteNucleationData
    value = RATE
    inserter = inserter
  [../]
  [./dtnuc]
    type = DiscreteNucleationTimeStep
    inserter = inserter
    p2nucleus = 0.0005
    dt_max = 10
  [../]
  [./update]
    type = DiscreteNucleationData
    value = UPDATE
    inserter = inserter
  [../]
  [./count]
    type = DiscreteNucleationData
    value = COUNT
    inserter = inserter
  [../]
[]

[Adaptivity]
  [./Indicators]
    [./jump]
      type = GradientJumpIndicator
      variable = c
    [../]
  [../]
  [./Markers]
    [./nuc]
      type = DiscreteNucleationMarker
      map = map
    [../]
    [./grad]
      type = ValueThresholdMarker
      variable = jump
      coarsen = 0.1
      refine = 0.2
    [../]
    [./combo]
      type = ComboMarker
      markers = 'nuc grad'
    [../]
  [../]
  marker = combo
  cycles_per_step = 3
  recompute_markers_during_cycles = true
  max_h_level = 3
[]

[Executioner]
  type = Transient
  scheme = bdf2
  solve_type = 'PJFNK'
  petsc_options_iname = '-pc_type -sub_pc_type'
  petsc_options_value = 'asm      lu          '

  nl_max_its = 20
  l_tol = 1.0e-4
  nl_rel_tol = 1.0e-10
  nl_abs_tol = 1.0e-10
  start_time = 0.0
  num_steps = 120

  [./TimeStepper]
    type = IterationAdaptiveDT
    dt = 10
    growth_factor = 1.5
    cutback_factor = 0.5
    optimal_iterations = 8
    iteration_window = 2
    timestep_limiting_postprocessor = dtnuc
  [../]
[]

[Outputs]
  exodus = true
  csv = true
  print_linear_residuals = false
[]

Input Parameters
Input Files
References

`value`	Output
\|`COUNT`\| Number of currently active nucleation sites maintained by the inserter\|
\|`UPDATE`\| Boolean (0/1) value denoting if at least one new nucleus was inserted or removed (i.e. its hold time expired) for the current timestep\|
\|`RATE`\| Total nucleation rate per unit time for the entire domain\|
\|`INSERTIONS`\| Number of new nucleation points added to the inserter's list\|
\|`DELETIONS`	Number of nucleation points that were removed due to their hold time having expired\|

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