ParsedMaterial.md|Numbat

# ParsedMaterial

Parsed Function Material.

Sets up a single material property that is computed using a parsed function expression.

A ParsedMaterial object takes the function expression as an input parameter in the form of a Function Parser expression. Parsed materials (unlike ParsedFunctions) can couple to non-linear variables and material properties. In its configuration block all non-linear variables the free energy depends on (args), as well as constants (constant_names and constant_expressions) and other material properties (material_property_names) are declared. Constants can be declared as parsed expressions (which can depend on previously defined constants). One application would be the definition of a temperature $var element = document.getElementById("moose-equation-5af46bbe-4365-4c9a-a3e9-71e6de76c48f");katex.render("T", element, {displayMode:false,throwOnError:false});$ , the Boltzmann constant $var element = document.getElementById("moose-equation-5b6557fc-f9dc-4455-9789-0c8012cb3932");katex.render("k_B", element, {displayMode:false,throwOnError:false});$ , a defect formation energy $var element = document.getElementById("moose-equation-633db41a-469f-458e-95da-048bf366a6a7");katex.render("E_F", element, {displayMode:false,throwOnError:false});$ , and then an equilibrium defect concentration defined using a Boltzmann factor $var element = document.getElementById("moose-equation-147218ce-63ee-4ce3-a694-c874bd0be16a");katex.render("\\exp(-\\frac{E_d}{k_BT})", element, {displayMode:false,throwOnError:false});$ .

Example

The following material object creates a single property for visualization purposes. It will be 0 for phase 1, -1 for phase 2, and 1 for phase 3

  [./phasemap]
    type = ParsedMaterial
    f_name = phase
    args = 'eta2 eta3'
    function = 'if(eta3>0.5,1,0)-if(eta2>0.5,1,0)'
    outputs = exodus
  [../]

Input Parameters

functionFParser function expression for the phase free energy
C++ Type:std::string
Description:FParser function expression for the phase free energy

Required Parameters

constant_expressionsVector of values for the constants in constant_names (can be an FParser expression)
C++ Type:std::vector
Description:Vector of values for the constants in constant_names (can be an FParser expression)
computeTrueWhen false, MOOSE will not call compute methods on this material. The user must call computeProperties() after retrieving the Material via MaterialPropertyInterface::getMaterial(). Non-computed Materials are not sorted for dependencies.
Default:True
C++ Type:bool
Description:When false, MOOSE will not call compute methods on this material. The user must call computeProperties() after retrieving the Material via MaterialPropertyInterface::getMaterial(). Non-computed Materials are not sorted for dependencies.
f_nameFBase name of the free energy function (used to name the material properties)
Default:F
C++ Type:std::string
Description:Base name of the free energy function (used to name the material properties)
argsArguments of F() - use vector coupling
C++ Type:std::vector
Description:Arguments of F() - use vector coupling
material_property_namesVector of material properties used in the parsed function
C++ Type:std::vector
Description:Vector of material properties used in the parsed function
constant_namesVector of constants used in the parsed function (use this for kB etc.)
C++ Type:std::vector
Description:Vector of constants used in the parsed function (use this for kB etc.)
tol_valuesVector of tolerance values for the variables in tol_names
C++ Type:std::vector
Description:Vector of tolerance values for the variables in tol_names
tol_namesVector of variable names to be protected from being 0 or 1 within a tolerance (needed for log(c) and log(1-c) terms)
C++ Type:std::vector
Description:Vector of variable names to be protected from being 0 or 1 within a tolerance (needed for log(c) and log(1-c) terms)
boundaryThe list of boundary IDs from the mesh where this boundary condition applies
C++ Type:std::vector
Description:The list of boundary IDs from the mesh where this boundary condition applies
blockThe list of block ids (SubdomainID) that this object will be applied
C++ Type:std::vector
Description:The list of block ids (SubdomainID) that this object will be applied

Optional Parameters

fail_on_evalerrorFalseFail fatally if a function evaluation returns an error code (otherwise just pass on NaN)
Default:False
C++ Type:bool
Description:Fail fatally if a function evaluation returns an error code (otherwise just pass on NaN)
enableTrueSet the enabled status of the MooseObject.
Default:True
C++ Type:bool
Description:Set the enabled status of the MooseObject.
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
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.
enable_jitTrueEnable just-in-time compilation of function expressions for faster evaluation
Default:True
C++ Type:bool
Description:Enable just-in-time compilation of function expressions for faster evaluation
control_tagsAdds user-defined labels for accessing object parameters via control logic.
C++ Type:std::vector
Description:Adds user-defined labels for accessing object parameters via control logic.
seed0The seed for the master random number generator
Default:0
C++ Type:unsigned int
Description:The seed for the master random number generator
enable_auto_optimizeTrueEnable automatic immediate optimization of derivatives
Default:True
C++ Type:bool
Description:Enable automatic immediate optimization of derivatives
disable_fpoptimizerFalseDisable the function parser algebraic optimizer
Default:False
C++ Type:bool
Description:Disable the function parser algebraic optimizer
enable_ad_cacheTrueEnable cacheing of function derivatives for faster startup time
Default:True
C++ Type:bool
Description:Enable cacheing of function derivatives for faster startup time
implicitTrueDetermines whether this object is calculated using an implicit or explicit form
Default:True
C++ Type:bool
Description:Determines whether this object is calculated using an implicit or explicit form
constant_onNONEWhen ELEMENT, MOOSE will only call computeQpProperties() for the 0th quadrature point, and then copy that value to the other qps.When SUBDOMAIN, MOOSE will only call computeSubdomainProperties() for the 0th quadrature point, and then copy that value to the other qps. Evaluations on element qps will be skipped
Default:NONE
C++ Type:MooseEnum
Description:When ELEMENT, MOOSE will only call computeQpProperties() for the 0th quadrature point, and then copy that value to the other qps.When SUBDOMAIN, MOOSE will only call computeSubdomainProperties() for the 0th quadrature point, and then copy that value to the other qps. Evaluations on element qps will be skipped

Advanced Parameters

output_propertiesList of material properties, from this material, to output (outputs must also be defined to an output type)
C++ Type:std::vector
Description:List of material properties, from this material, to output (outputs must also be defined to an output type)
outputsnone Vector of output names were you would like to restrict the output of variables(s) associated with this object
Default:none
C++ Type:std::vector
Description:Vector of output names were you would like to restrict the output of variables(s) associated with this object

Outputs Parameters

Example
Input Parameters

# # Pattern example 1 # # Phase changes driven by a combination mechanical (elastic) and chemical # driving forces. In this three phase system a matrix phase, an oversized and # an undersized precipitate phase compete. The chemical free energy favors a # phase separation into either precipitate phase. A mix of both precipitate # emerges to balance lattice expansion and contraction. # # This example demonstrates the use of # * ACMultiInterface # * SwitchingFunctionConstraintEta and SwitchingFunctionConstraintLagrange # * DerivativeParsedMaterial # * ElasticEnergyMaterial # * DerivativeMultiPhaseMaterial # * MultiPhaseStressMaterial # which are the components to se up a phase field model with an arbitrary number # of phases # [Mesh] type = GeneratedMesh dim = 2 nx = 80 ny = 80 nz = 0 xmin = -20 xmax = 20 ymin = -20 ymax = 20 zmin = 0 zmax = 0 elem_type = QUAD4 [] [GlobalParams] # CahnHilliard needs the third derivatives derivative_order = 3 enable_jit = true displacements = 'disp_x disp_y' [] # AuxVars to compute the free energy density for outputting [AuxVariables] [./local_energy] order = CONSTANT family = MONOMIAL [../] [./cross_energy] order = CONSTANT family = MONOMIAL [../] [] [AuxKernels] [./local_free_energy] type = TotalFreeEnergy variable = local_energy interfacial_vars = 'c' kappa_names = 'kappa_c' additional_free_energy = cross_energy [../] [./cross_terms] type = CrossTermGradientFreeEnergy variable = cross_energy interfacial_vars = 'eta1 eta2 eta3' kappa_names = 'kappa11 kappa12 kappa13 kappa21 kappa22 kappa23 kappa31 kappa32 kappa33' [../] [] [Variables] # Solute concentration variable [./c] order = FIRST family = LAGRANGE [./InitialCondition] type = RandomIC min = 0 max = 0.8 seed = 1235 [../] [../] # Order parameter for the Matrix [./eta1] order = FIRST family = LAGRANGE initial_condition = 0.5 [../] # Order parameters for the 2 different inclusion orientations [./eta2] order = FIRST family = LAGRANGE initial_condition = 0.1 [../] [./eta3] order = FIRST family = LAGRANGE initial_condition = 0.1 [../] # Mesh displacement [./disp_x] order = FIRST family = LAGRANGE [../] [./disp_y] order = FIRST family = LAGRANGE [../] # Lagrange-multiplier [./lambda] order = FIRST family = LAGRANGE initial_condition = 1.0 [../] [] [Kernels] # Set up stress divergence kernels [./TensorMechanics] [../] # Cahn-Hilliard kernels [./c_res] type = CahnHilliard variable = c f_name = F args = 'eta1 eta2 eta3' [../] [./time] type = TimeDerivative variable = c [../] # Allen-Cahn and Lagrange-multiplier constraint kernels for order parameter 1 [./deta1dt] type = TimeDerivative variable = eta1 [../] [./ACBulk1] type = AllenCahn variable = eta1 args = 'eta2 eta3 c' mob_name = L1 f_name = F [../] [./ACInterface1] type = ACMultiInterface variable = eta1 etas = 'eta1 eta2 eta3' mob_name = L1 kappa_names = 'kappa11 kappa12 kappa13' [../] [./lagrange1] type = SwitchingFunctionConstraintEta variable = eta1 h_name = h1 lambda = lambda [../] # Allen-Cahn and Lagrange-multiplier constraint kernels for order parameter 2 [./deta2dt] type = TimeDerivative variable = eta2 [../] [./ACBulk2] type = AllenCahn variable = eta2 args = 'eta1 eta3 c' mob_name = L2 f_name = F [../] [./ACInterface2] type = ACMultiInterface variable = eta2 etas = 'eta1 eta2 eta3' mob_name = L2 kappa_names = 'kappa21 kappa22 kappa23' [../] [./lagrange2] type = SwitchingFunctionConstraintEta variable = eta2 h_name = h2 lambda = lambda [../] # Allen-Cahn and Lagrange-multiplier constraint kernels for order parameter 3 [./deta3dt] type = TimeDerivative variable = eta3 [../] [./ACBulk3] type = AllenCahn variable = eta3 args = 'eta1 eta2 c' mob_name = L3 f_name = F [../] [./ACInterface3] type = ACMultiInterface variable = eta3 etas = 'eta1 eta2 eta3' mob_name = L3 kappa_names = 'kappa31 kappa32 kappa33' [../] [./lagrange3] type = SwitchingFunctionConstraintEta variable = eta3 h_name = h3 lambda = lambda [../] # Lagrange-multiplier constraint kernel for lambda [./lagrange] type = SwitchingFunctionConstraintLagrange variable = lambda etas = 'eta1 eta2 eta3' h_names = 'h1 h2 h3' epsilon = 1e-6 [../] [] [Materials] # declare a few constants, such as mobilities (L,M) and interface gradient prefactors (kappa*) [./consts] type = GenericConstantMaterial prop_names = 'M kappa_c L1 L2 L3 kappa11 kappa12 kappa13 kappa21 kappa22 kappa23 kappa31 kappa32 kappa33' prop_values = '0.2 0 1 1 1 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 ' [../] # We use this to output the level of constraint enforcement # ideally it should be 0 everywhere, if the constraint is fully enforced [./etasummat] type = ParsedMaterial f_name = etasum args = 'eta1 eta2 eta3' material_property_names = 'h1 h2 h3' function = 'h1+h2+h3-1' outputs = exodus [../] # This parsed material creates a single property for visualization purposes. # It will be 0 for phase 1, -1 for phase 2, and 1 for phase 3 [./phasemap] type = ParsedMaterial f_name = phase args = 'eta2 eta3' function = 'if(eta3>0.5,1,0)-if(eta2>0.5,1,0)' outputs = exodus [../] # matrix phase [./elasticity_tensor_1] type = ComputeElasticityTensor base_name = phase1 C_ijkl = '3 3' fill_method = symmetric_isotropic [../] [./strain_1] type = ComputeSmallStrain base_name = phase1 displacements = 'disp_x disp_y' [../] [./stress_1] type = ComputeLinearElasticStress base_name = phase1 [../] # oversized phase [./elasticity_tensor_2] type = ComputeElasticityTensor base_name = phase2 C_ijkl = '7 7' fill_method = symmetric_isotropic [../] [./strain_2] type = ComputeSmallStrain base_name = phase2 displacements = 'disp_x disp_y' eigenstrain_names = eigenstrain [../] [./stress_2] type = ComputeLinearElasticStress base_name = phase2 [../] [./eigenstrain_2] type = ComputeEigenstrain base_name = phase2 eigen_base = '0.02' eigenstrain_name = eigenstrain [../] # undersized phase [./elasticity_tensor_3] type = ComputeElasticityTensor base_name = phase3 C_ijkl = '7 7' fill_method = symmetric_isotropic [../] [./strain_3] type = ComputeSmallStrain base_name = phase3 displacements = 'disp_x disp_y' eigenstrain_names = eigenstrain [../] [./stress_3] type = ComputeLinearElasticStress base_name = phase3 [../] [./eigenstrain_3] type = ComputeEigenstrain base_name = phase3 eigen_base = '-0.05' eigenstrain_name = eigenstrain [../] # switching functions [./switching1] type = SwitchingFunctionMaterial function_name = h1 eta = eta1 h_order = SIMPLE [../] [./switching2] type = SwitchingFunctionMaterial function_name = h2 eta = eta2 h_order = SIMPLE [../] [./switching3] type = SwitchingFunctionMaterial function_name = h3 eta = eta3 h_order = SIMPLE [../] [./barrier] type = MultiBarrierFunctionMaterial etas = 'eta1 eta2 eta3' [../] # chemical free energies [./chemical_free_energy_1] type = DerivativeParsedMaterial f_name = Fc1 function = '4*c^2' args = 'c' derivative_order = 2 [../] [./chemical_free_energy_2] type = DerivativeParsedMaterial f_name = Fc2 function = '(c-0.9)^2-0.4' args = 'c' derivative_order = 2 [../] [./chemical_free_energy_3] type = DerivativeParsedMaterial f_name = Fc3 function = '(c-0.9)^2-0.5' args = 'c' derivative_order = 2 [../] # elastic free energies [./elastic_free_energy_1] type = ElasticEnergyMaterial base_name = phase1 f_name = Fe1 derivative_order = 2 args = 'c' # should be empty [../] [./elastic_free_energy_2] type = ElasticEnergyMaterial base_name = phase2 f_name = Fe2 derivative_order = 2 args = 'c' # should be empty [../] [./elastic_free_energy_3] type = ElasticEnergyMaterial base_name = phase3 f_name = Fe3 derivative_order = 2 args = 'c' # should be empty [../] # phase free energies (chemical + elastic) [./phase_free_energy_1] type = DerivativeSumMaterial f_name = F1 sum_materials = 'Fc1 Fe1' args = 'c' derivative_order = 2 [../] [./phase_free_energy_2] type = DerivativeSumMaterial f_name = F2 sum_materials = 'Fc2 Fe2' args = 'c' derivative_order = 2 [../] [./phase_free_energy_3] type = DerivativeSumMaterial f_name = F3 sum_materials = 'Fc3 Fe3' args = 'c' derivative_order = 2 [../] # global free energy [./free_energy] type = DerivativeMultiPhaseMaterial f_name = F fi_names = 'F1 F2 F3' hi_names = 'h1 h2 h3' etas = 'eta1 eta2 eta3' args = 'c' W = 3 [../] # Generate the global stress from the phase stresses [./global_stress] type = MultiPhaseStressMaterial phase_base = 'phase1 phase2 phase3' h = 'h1 h2 h3' [../] [] [BCs] # the boundary conditions on the displacement enforce periodicity # at zero total shear and constant volume [./bottom_y] type = PresetBC variable = disp_y boundary = 'bottom' value = 0 [../] [./top_y] type = PresetBC variable = disp_y boundary = 'top' value = 0 [../] [./left_x] type = PresetBC variable = disp_x boundary = 'left' value = 0 [../] [./right_x] type = PresetBC variable = disp_x boundary = 'right' value = 0 [../] [./Periodic] [./disp_x] auto_direction = 'y' [../] [./disp_y] auto_direction = 'x' [../] # all other phase field variables are fully periodic [./c] auto_direction = 'x y' [../] [./eta1] auto_direction = 'x y' [../] [./eta2] auto_direction = 'x y' [../] [./eta3] auto_direction = 'x y' [../] [./lambda] auto_direction = 'x y' [../] [../] [] [Preconditioning] [./SMP] type = SMP full = true [../] [] # We monitor the total free energy and the total solute concentration (should be constant) [Postprocessors] [./total_free_energy] type = ElementIntegralVariablePostprocessor variable = local_energy [../] [./total_solute] type = ElementIntegralVariablePostprocessor variable = c [../] [] [Executioner] type = Transient scheme = bdf2 solve_type = 'PJFNK' petsc_options_iname = '-pc_type -sub_pc_type' petsc_options_value = 'asm ilu' l_max_its = 30 nl_max_its = 10 l_tol = 1.0e-4 nl_rel_tol = 1.0e-8 nl_abs_tol = 1.0e-10 start_time = 0.0 num_steps = 200 [./TimeStepper] type = SolutionTimeAdaptiveDT dt = 0.1 [../] [] [Outputs] execute_on = 'timestep_end' exodus = true [./table] type = CSV delimiter = ' ' [../] [] [Debug] # show_var_residual_norms = true []