TricrystalTripleJunctionIC

Tricrystal with a triple junction

Overview

This initial condition (ICs) sets the variable values to represent a grain structure with three grains coming together at a triple junction. The initial triple junction angles are set by the user.

Note that the grains are created with sharp interfaces.

Example Input File Syntax

[GlobalParams]
  # Parameters used by several kernels that are defined globally to simplify input file
  op_num = 3 # Number of order parameters used
  var_name_base = gr # base name of grains
  v = 'gr0 gr1 gr2' # Names of the grains
  theta1 = 135 # Angle the first grain makes at the triple junction
  theta2 = 100 # Angle the second grain makes at the triple junction
  length_scale = 1.0e-9 # Length scale in nm
  time_scale = 1.0e-9 # Time scale in ns
[]

[ICs]
  [gr0_IC]
    type = TricrystalTripleJunctionIC
    variable = gr0
    op_index = 1
  []
  [gr1_IC]
    type = TricrystalTripleJunctionIC
    variable = gr1
    op_index = 2
  []
  [gr2_IC]
    type = TricrystalTripleJunctionIC
    variable = gr2
    op_index = 3
  []
[]

Input Parameters

op_indexIndex for the current grain order parameter
C++ Type:unsigned int
Unit:(no unit assumed)
Controllable:No
Description:Index for the current grain order parameter
op_numNumber of grain order parameters
C++ Type:unsigned int
Unit:(no unit assumed)
Controllable:No
Description:Number of grain order parameters
variableThe variable this initial condition is supposed to provide values for.
C++ Type:VariableName
Unit:(no unit assumed)
Controllable:No
Description:The variable this initial condition is supposed to provide values for.

Required Parameters

blockThe list of blocks (ids or names) that this object will be applied
C++ Type:std::vector<SubdomainName>
Unit:(no unit assumed)
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>
Unit:(no unit assumed)
Controllable:No
Description:The list of boundaries (ids or names) from the mesh where this object applies
junctionThe point where the triple junction is located. Default is the center of the mesh
C++ Type:libMesh::Point
Unit:(no unit assumed)
Controllable:No
Description:The point where the triple junction is located. Default is the center of the mesh
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
Unit:(no unit assumed)
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.
theta1135Angle of first grain at triple junction in degrees
Default:135
C++ Type:double
Unit:(no unit assumed)
Controllable:No
Description:Angle of first grain at triple junction in degrees
theta2135Angle of second grain at triple junction in degrees
Default:135
C++ Type:double
Unit:(no unit assumed)
Controllable:No
Description:Angle of second grain at triple junction in degrees
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
Unit:(no unit assumed)
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.

Optional Parameters

control_tagsAdds user-defined labels for accessing object parameters via control logic.
C++ Type:std::vector<std::string>
Unit:(no unit assumed)
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
Unit:(no unit assumed)
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
Unit:(no unit assumed)
Controllable:No
Description:When set to true, a UserObject retrieved by this IC will not be executed before the this IC

Advanced Parameters

(moose/modules/phase_field/test/tests/initial_conditions/TricrystalTripleJunctionIC.i)

# This simulation tests the TricrystalTripleJunctionIC

[Mesh]
  # Mesh block. Meshes can be read in or automatically generated.
  type = GeneratedMesh
  dim = 2 # Problem dimension
  nx = 11 # Number of elements in the x direction
  ny = 11 # Number of elements in the y direction
  xmax = 1001 # Maximum x-coordinate of mesh
  xmin = 0 # Minimum x-coordinate of mesh
  ymax = 1001 # Maximum y-coordinate of mesh
  ymin = 0 # Minimum y-coordinate of mesh
  elem_type = QUAD4 # Type of elements used in the mesh
  uniform_refine = 3
[]

[GlobalParams]
  # Parameters used by several kernels that are defined globally to simplify input file
  op_num = 3 # Number of order parameters used
  var_name_base = gr # base name of grains
  v = 'gr0 gr1 gr2' # Names of the grains
  theta1 = 135 # Angle the first grain makes at the triple junction
  theta2 = 100 # Angle the second grain makes at the triple junction
  length_scale = 1.0e-9 # Length scale in nm
  time_scale = 1.0e-9 # Time scale in ns
[]

[Variables]
  [gr0]
  []
  [gr1]
  []
  [gr2]
  []
[]

[ICs]
  [gr0_IC]
    type = TricrystalTripleJunctionIC
    variable = gr0
    op_index = 1
  []
  [gr1_IC]
    type = TricrystalTripleJunctionIC
    variable = gr1
    op_index = 2
  []
  [gr2_IC]
    type = TricrystalTripleJunctionIC
    variable = gr2
    op_index = 3
  []
[]

[AuxVariables]
  [bnds]
    # Variable used to visualize the grain boundaries in the simulation
    order = FIRST
    family = LAGRANGE
  []
[]

[Kernels]
  # Kernels block where the kernels defining the residual equations are set up
  [PolycrystalKernel]
    # Custom action creating all necessary kernels for grain growth.  All input parameters are up in GlobalParams
  []
[]

[AuxKernels]
  # AuxKernel block, defining the equations used to calculate the auxvars
  [bnds_aux]
    # AuxKernel that calculates the GB term
    type = BndsCalcAux
    variable = bnds
    execute_on = 'initial timestep_end'
  []
[]

[Materials]
  [material]
    # Material properties
    type = GBEvolution
    T = 450 # Constant temperature of the simulation (for mobility calculation)
    wGB = 14 # Width of the diffuse GB
    GBmob0 = 2.5e-6 #m^4(Js) for copper from schonfelder1997molecular bibtex entry
    Q = 0.23 #eV for copper from schonfelder1997molecular bibtex entry
    GBenergy = 0.708 #J/m^2 from schonfelder1997molecular bibtex entry
  []
[]

[Postprocessors]
  # Scalar postprocessors
  [grain_tracker]
    type = FauxGrainTracker
  []
[]

[Executioner]
  type = Transient
  num_steps = 1
[]

[Outputs]
  exodus = true # Outputs to the Exodus file format
  execute_on = 'final'
[]

[Problem]
  solve = false
[]

(moose/modules/phase_field/test/tests/initial_conditions/TricrystalTripleJunctionIC.i)

# This simulation tests the TricrystalTripleJunctionIC

[Mesh]
  # Mesh block. Meshes can be read in or automatically generated.
  type = GeneratedMesh
  dim = 2 # Problem dimension
  nx = 11 # Number of elements in the x direction
  ny = 11 # Number of elements in the y direction
  xmax = 1001 # Maximum x-coordinate of mesh
  xmin = 0 # Minimum x-coordinate of mesh
  ymax = 1001 # Maximum y-coordinate of mesh
  ymin = 0 # Minimum y-coordinate of mesh
  elem_type = QUAD4 # Type of elements used in the mesh
  uniform_refine = 3
[]

[GlobalParams]
  # Parameters used by several kernels that are defined globally to simplify input file
  op_num = 3 # Number of order parameters used
  var_name_base = gr # base name of grains
  v = 'gr0 gr1 gr2' # Names of the grains
  theta1 = 135 # Angle the first grain makes at the triple junction
  theta2 = 100 # Angle the second grain makes at the triple junction
  length_scale = 1.0e-9 # Length scale in nm
  time_scale = 1.0e-9 # Time scale in ns
[]

[Variables]
  [gr0]
  []
  [gr1]
  []
  [gr2]
  []
[]

[ICs]
  [gr0_IC]
    type = TricrystalTripleJunctionIC
    variable = gr0
    op_index = 1
  []
  [gr1_IC]
    type = TricrystalTripleJunctionIC
    variable = gr1
    op_index = 2
  []
  [gr2_IC]
    type = TricrystalTripleJunctionIC
    variable = gr2
    op_index = 3
  []
[]

[AuxVariables]
  [bnds]
    # Variable used to visualize the grain boundaries in the simulation
    order = FIRST
    family = LAGRANGE
  []
[]

[Kernels]
  # Kernels block where the kernels defining the residual equations are set up
  [PolycrystalKernel]
    # Custom action creating all necessary kernels for grain growth.  All input parameters are up in GlobalParams
  []
[]

[AuxKernels]
  # AuxKernel block, defining the equations used to calculate the auxvars
  [bnds_aux]
    # AuxKernel that calculates the GB term
    type = BndsCalcAux
    variable = bnds
    execute_on = 'initial timestep_end'
  []
[]

[Materials]
  [material]
    # Material properties
    type = GBEvolution
    T = 450 # Constant temperature of the simulation (for mobility calculation)
    wGB = 14 # Width of the diffuse GB
    GBmob0 = 2.5e-6 #m^4(Js) for copper from schonfelder1997molecular bibtex entry
    Q = 0.23 #eV for copper from schonfelder1997molecular bibtex entry
    GBenergy = 0.708 #J/m^2 from schonfelder1997molecular bibtex entry
  []
[]

[Postprocessors]
  # Scalar postprocessors
  [grain_tracker]
    type = FauxGrainTracker
  []
[]

[Executioner]
  type = Transient
  num_steps = 1
[]

[Outputs]
  exodus = true # Outputs to the Exodus file format
  execute_on = 'final'
[]

[Problem]
  solve = false
[]