ComputeBlockOrientationByRotation

In a crystal plasticity simulation, the ComputeBlockOrientationByRotation user object calculates the orientation of each grain, represented by material blocks (subdomains), by selecting the most prevalent orientation direction among all material points within each block. It achieves this by:

Converting the Euler angles of every element within the block into quaternions.
Computing the distribution of quaternion values.
Choosing the most prevalent orientation direction as the grain orientation.

For interested readers, the algorithm used to calculate the Eugler angles in Steps 2-3 can be found in Markley et al. (2007).

A alternative way of calculating the block orientation can be found in ComputeBlockOrientationByMisorientation.

Example Input File Syntax

[UserObjects<<<{"href": "../../syntax/UserObjects/index.html"}>>>]
  [block_orientation]
    type = ComputeBlockOrientationByRotation<<<{"description": "This object determines the orientation of each grain (block) by identifying the most common orientation direction among the material points within the grain.", "href": "ComputeBlockOrientationByRotation.html"}>>>
    # type = ComputeBlockOrientationByMisorientation <- can use this UO as well
    execute_on<<<{"description": "The list of flag(s) indicating when this object should be executed. For a description of each flag, see https://mooseframework.inl.gov/source/interfaces/SetupInterface.html."}>>> = 'TIMESTEP_END'
  []
[]

Input Parameters

L_norm1Specifies the type of average the user intends to perform
Default:1
C++ Type:double
Unit:(no unit assumed)
Controllable:No
Description:Specifies the type of average the user intends to perform
bins20Number of bins to segregate quaternions
Default:20
C++ Type:unsigned int
Controllable:No
Description:Number of bins to segregate quaternions
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

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
Controllable:No
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).
execute_onTIMESTEP_ENDThe list of flag(s) indicating when this object should be executed. For a description of each flag, see https://mooseframework.inl.gov/source/interfaces/SetupInterface.html.
Default:TIMESTEP_END
C++ Type:ExecFlagEnum
Options:XFEM_MARK, NONE, INITIAL, LINEAR, LINEAR_CONVERGENCE, NONLINEAR, NONLINEAR_CONVERGENCE, POSTCHECK, TIMESTEP_END, TIMESTEP_BEGIN, MULTIAPP_FIXED_POINT_END, MULTIAPP_FIXED_POINT_BEGIN, MULTIAPP_FIXED_POINT_CONVERGENCE, FINAL, CUSTOM, TRANSFER
Controllable:No
Description:The list of flag(s) indicating when this object should be executed. For a description of each flag, see https://mooseframework.inl.gov/source/interfaces/SetupInterface.html.
execution_order_group0Execution order groups are executed in increasing order (e.g., the lowest number is executed first). Note that negative group numbers may be used to execute groups before the default (0) group. Please refer to the user object documentation for ordering of user object execution within a group.
Default:0
C++ Type:int
Controllable:No
Description:Execution order groups are executed in increasing order (e.g., the lowest number is executed first). Note that negative group numbers may be used to execute groups before the default (0) group. Please refer to the user object documentation for ordering of user object execution within a group.
force_postauxFalseForces the UserObject to be executed in POSTAUX
Default:False
C++ Type:bool
Controllable:No
Description:Forces the UserObject to be executed in POSTAUX
force_preauxFalseForces the UserObject to be executed in PREAUX
Default:False
C++ Type:bool
Controllable:No
Description:Forces the UserObject to be executed in PREAUX
force_preicFalseForces the UserObject to be executed in PREIC during initial setup
Default:False
C++ Type:bool
Controllable:No
Description:Forces the UserObject to be executed in PREIC during initial setup

Execution Scheduling 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:Yes
Description:Set the enabled status of the MooseObject.
implicitTrueDetermines whether this object is calculated using an implicit or explicit form
Default:True
C++ Type:bool
Controllable:No
Description:Determines whether this object is calculated using an implicit or explicit form
seed0The seed for the master random number generator
Default:0
C++ Type:unsigned int
Controllable:No
Description:The seed for the master random number generator
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
Controllable:No
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

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.
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.

Material Property Retrieval Parameters

References

F Landis Markley, Yang Cheng, John L Crassidis, and Yaakov Oshman. Averaging quaternions. Journal of Guidance, Control, and Dynamics, 30(4):1193–1197, 2007.

@article{markley2007averaging,
    author = "Markley, F Landis and Cheng, Yang and Crassidis, John L and Oshman, Yaakov",
    title = "Averaging quaternions",
    journal = "Journal of Guidance, Control, and Dynamics",
    volume = "30",
    number = "4",
    pages = "1193--1197",
    year = "2007"
}

(moose/modules/solid_mechanics/test/tests/block_orientation/block_orientation_calculation.i)

[GlobalParams]
  displacements = 'disp_x disp_y disp_z'
[]

[Mesh]
  [box]
    type = GeneratedMeshGenerator
    dim = 3
    xmax = 1
    ymax = 2
    zmax = 2
    nx = 2
    ny = 4
    nz = 4
    elem_type = HEX8
  []
  [subdomain]
    input = box
    type = SubdomainPerElementGenerator
    element_ids = '0 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31'
    subdomain_ids = '0 0 0 0 1 1 1 1 2 2 2 2 3 3 3 3 4 4 4 4 5 5 5 5 6 6 6 6 7 7 7 7'
  []
[]

[AuxVariables]
  [euler_angle_1]
    order = FIRST
    family = LAGRANGE
  []
  [euler_angle_2]
    order = FIRST
    family = LAGRANGE
  []
  [euler_angle_3]
    order = FIRST
    family = LAGRANGE
  []
[]

[Physics]
  [SolidMechanics]
    [QuasiStatic]
      [all]
        strain = FINITE
        add_variables = true
        generate_output = stress_zz
      []
    []
  []
[]

[AuxKernels]
  [euler_angle_1]
    type = FunctionAux
    variable = euler_angle_1
    function = '10*t+x'
  []
  [euler_angle_2]
    type = FunctionAux
    variable = euler_angle_2
    function = '20*t+2*y'
  []
  [euler_angle_3]
    type = FunctionAux
    variable = euler_angle_3
    function = '30*t+3*z'
  []
[]

[BCs]
  [Periodic]
    [all]
      variable = 'disp_x'
      auto_direction = 'z'
    []
  []
  [fix_x]
    type = DirichletBC
    variable = disp_x
    boundary = 'left'
    value = 0
  []
  [fix_y]
    type = DirichletBC
    variable = disp_y
    boundary = 'bottom'
    value = 0
  []
  [fix_z]
    type = DirichletBC
    variable = disp_z
    boundary = 'back'
    value = 0
  []
  [tdisp]
    type = FunctionDirichletBC
    variable = disp_z
    boundary = 'front'
    function = '0.01*t'
  []
[]

[Materials]
  [elasticity_tensor]
    type = ComputeElasticityTensorCP
    C_ijkl = '1.684e5 1.214e5 1.214e5 1.684e5 1.214e5 1.684e5 0.754e5 0.754e5 0.754e5'
    fill_method = symmetric9
    euler_angle_variables = 'euler_angle_1 euler_angle_2 euler_angle_3'
  []
  [stress]
    type = ComputeMultipleCrystalPlasticityStress
    crystal_plasticity_models = 'trial_xtalpl'
    tan_mod_type = exact
  []
  [trial_xtalpl]
    type = CrystalPlasticityKalidindiUpdate
    number_slip_systems = 12
    slip_sys_file_name = input_slip_sys.txt
  []
[]

[UserObjects]
  [block_orientation]
    type = ComputeBlockOrientationByRotation
    # type = ComputeBlockOrientationByMisorientation <- can use this UO as well
    execute_on = 'TIMESTEP_END'
  []
[]

[VectorPostprocessors]
  [block_ea]
    type = BlockOrientationFromUserObject
    block_orientation_uo = block_orientation
  []
[]

[Preconditioning]
  [smp]
    type = SMP
    full = true
  []
[]

[Executioner]
  type = Transient
  solve_type = 'PJFNK'

  petsc_options_iname = '-pc_type'
  petsc_options_value = ' lu '
  nl_abs_tol = 1e-10
  nl_rel_tol = 1e-10
  nl_abs_step_tol = 1e-10

  dt = 0.05
  dtmin = 0.01
  end_time = 0.2
[]

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