DerivativeParsedMaterial

Parsed Function Material with automatic derivatives.

This material class does everything the ParsedMaterial does, plus automatic symbolic differentiation of the function expression. The function material property derivatives follow a naming scheme defined in DerivativeMaterialPropertyNameInterface. The maximum order of derivatives generated is set using the derivative_order parameter.

Only required derivatives will be evaluated (e.g. the split operator kernel does not require third order derivatives. Second-order derivatives are only required for the Jacobian, as discussed here).

Non linear and auxiliary variables declared in the "coupled_variables" parameter, constants declared in "constant_names" and "constant_expressions", material properties declared in "material_property_names", and postprocessors ("postprocessor_names") may be used in the parsed function expression. Note that the constants can be defined using parsed expressions as long as these expressions only use numbers and/or constants already defined to the left of the current constant, line in this example:


    constant_names       = 'T    kB         E'
    constant_expressions = '300  8.6173e-5  T*kB'

where E can be defined in terms of T and kB, as those constants are to the left of E.

If a material property M is listed in "material_property_names" a special syntax (M(c1,c2) where c1 and c2 are variables) can be used to declare variable dependencies as well as selecting derivatives of material properties (for example, d2M:=D[M(c1,c2),c2,c2] would make the second derivative of M with respect to c2 available as d2M in the parsed function expression). If variable dependencies are declared, the necessary derivatives of the coupled material properties will be automatically pulled in when constructing the derivatives of the parsed function.

In phase field, an application would be the definition of a mobility term

containing the second derivative of a function , or a custom switching function derivative in a Grand potential model

[./coupled_eta_function]
  type = DerivativeParsedMaterial
  expression = '(cs - cl) * dh'
  coupled_variables = 'eta w'
  property_name = ft
  material_property_names = 'cs cl dh:=D[h,eta]'
  derivative_order = 1
  outputs = exodus
[../]
(modules/phase_field/test/tests/GrandPotentialPFM/GrandPotentialPFM.i)

The ft defined above would have accurately constructed automatic derivatives w.r.t. (eta), which contain second and higher derivatives of (make sure to set the derivative_order of high enough!).

The "material_property_names" are parsed by the FunctionMaterialPropertyDescriptor class, which understands the following syntax:

ExpressionDescription
FA material property called F with no declared variable dependencies (i.e. vanishing derivatives)
F(c,phi)A material property called F with declared dependence on 'c' and 'phi' (uses DerivativeFunctionMaterial rules to look up the derivatives) using the round-bracket-notation
d3x:=D[x(a,b),a,a,b]The third derivative of the a,b-dependent material property x, which will be referred to as d3x in the function expression
dF:=D[F,c]Derivative of F w.r.t. c. Although the c-dependence of F is not explicitly declared using the round-bracket-notation it is implicitly assumed as a derivative w.r.t. c is requested
F_old:=Old[F]Old (previous time step) state of F. Note that no derivatives of this property are available.
F_older:=Older[F]Older (two time steps ago) state of F. Note that no derivatives of this property are available.

Add outputs=exodus to the material block to automatically write all derivatives and the function to the exodus output.

Input Parameters

  • additional_derivative_symbolsA list of additional (non-variable) symbols (such as material property or postprocessor names) to take derivatives w.r.t.

    C++ Type:std::vector<std::string>

    Controllable:No

    Description:A list of additional (non-variable) symbols (such as material property or postprocessor names) to take derivatives w.r.t.

  • 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

  • computeTrueWhen false, MOOSE will not call compute methods on this material. The user must call computeProperties() after retrieving the MaterialBase via MaterialBasePropertyInterface::getMaterialBase(). Non-computed MaterialBases are not sorted for dependencies.

    Default:True

    C++ Type:bool

    Controllable:No

    Description:When false, MOOSE will not call compute methods on this material. The user must call computeProperties() after retrieving the MaterialBase via MaterialBasePropertyInterface::getMaterialBase(). Non-computed MaterialBases are not sorted for dependencies.

  • constant_expressionsVector of values for the constants in constant_names (can be an FParser expression)

    C++ Type:std::vector<std::string>

    Controllable:No

    Description:Vector of values for the constants in constant_names (can be an FParser expression)

  • constant_namesVector of constants used in the parsed function (use this for kB etc.)

    C++ Type:std::vector<std::string>

    Controllable:No

    Description:Vector of constants used in the parsed function (use this for kB etc.)

  • 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 computeQpProperties() 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

    Options:NONE, ELEMENT, SUBDOMAIN

    Controllable:No

    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 computeQpProperties() for the 0th quadrature point, and then copy that value to the other qps. Evaluations on element qps will be skipped

  • coupled_variablesVector of variables used in the parsed function

    C++ Type:std::vector<VariableName>

    Unit:(no unit assumed)

    Controllable:No

    Description:Vector of variables used in the parsed function

  • declare_suffixAn optional suffix parameter that can be appended to any declared 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 declared properties. The suffix will be prepended with a '_' character.

  • derivative_order3Maximum order of derivatives taken

    Default:3

    C++ Type:unsigned int

    Controllable:No

    Description:Maximum order of derivatives taken

  • epsilon0Fuzzy comparison tolerance

    Default:0

    C++ Type:double

    Unit:(no unit assumed)

    Controllable:No

    Description:Fuzzy comparison tolerance

  • error_on_missing_material_propertiesTrueThrow an error if any explicitly requested material property does not exist. Otherwise assume it to be zero.

    Default:True

    C++ Type:bool

    Controllable:No

    Description:Throw an error if any explicitly requested material property does not exist. Otherwise assume it to be zero.

  • expressionParsed function (see FParser) expression for the parsed material

    C++ Type:FunctionExpression

    Unit:(no unit assumed)

    Controllable:No

    Description:Parsed function (see FParser) expression for the parsed material

  • extra_symbolsSpecial symbols, like point coordinates, time, and timestep size.

    C++ Type:MultiMooseEnum

    Options:x, y, z, t, dt

    Controllable:No

    Description:Special symbols, like point coordinates, time, and timestep size.

  • functor_namesFunctors to use in the parsed expression. A functor is any of the following: a variable, a functor material property, a function, a postprocessor or a number.

    C++ Type:std::vector<MooseFunctorName>

    Unit:(no unit assumed)

    Controllable:No

    Description:Functors to use in the parsed expression. A functor is any of the following: a variable, a functor material property, a function, a postprocessor or a number.

  • functor_symbolsSymbolic name to use for each functor in 'functor_names' in the parsed expression. If not provided, then the actual functor names will be used in the parsed expression.

    C++ Type:std::vector<std::string>

    Controllable:No

    Description:Symbolic name to use for each functor in 'functor_names' in the parsed expression. If not provided, then the actual functor names will be used in the parsed expression.

  • material_property_namesVector of material properties used in the parsed function

    C++ Type:std::vector<std::string>

    Controllable:No

    Description:Vector of material properties used in the parsed function

  • postprocessor_namesVector of postprocessor names used in the parsed function

    C++ Type:std::vector<PostprocessorName>

    Unit:(no unit assumed)

    Controllable:No

    Description:Vector of postprocessor names used in the parsed function

  • property_nameFName of the parsed material property

    Default:F

    C++ Type:std::string

    Controllable:No

    Description:Name of the parsed material property

  • 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<std::string>

    Controllable:No

    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)

  • tol_valuesVector of tolerance values for the variables in tol_names

    C++ Type:std::vector<double>

    Unit:(no unit assumed)

    Controllable:No

    Description:Vector of tolerance values for the variables in tol_names

  • upstream_materialsList of upstream material properties that must be evaluated when compute=false

    C++ Type:std::vector<MaterialName>

    Controllable:No

    Description:List of upstream material properties that must be evaluated when compute=false

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: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

  • search_methodnearest_node_connected_sidesChoice of search algorithm. All options begin by finding the nearest node in the primary boundary to a query point in the secondary boundary. In the default nearest_node_connected_sides algorithm, primary boundary elements are searched iff that nearest node is one of their nodes. This is fast to determine via a pregenerated node-to-elem map and is robust on conforming meshes. In the optional all_proximate_sides algorithm, primary boundary elements are searched iff they touch that nearest node, even if they are not topologically connected to it. This is more CPU-intensive but is necessary for robustness on any boundary surfaces which has disconnections (such as Flex IGA meshes) or non-conformity (such as hanging nodes in adaptively h-refined meshes).

    Default:nearest_node_connected_sides

    C++ Type:MooseEnum

    Options:nearest_node_connected_sides, all_proximate_sides

    Controllable:No

    Description:Choice of search algorithm. All options begin by finding the nearest node in the primary boundary to a query point in the secondary boundary. In the default nearest_node_connected_sides algorithm, primary boundary elements are searched iff that nearest node is one of their nodes. This is fast to determine via a pregenerated node-to-elem map and is robust on conforming meshes. In the optional all_proximate_sides algorithm, primary boundary elements are searched iff they touch that nearest node, even if they are not topologically connected to it. This is more CPU-intensive but is necessary for robustness on any boundary surfaces which has disconnections (such as Flex IGA meshes) or non-conformity (such as hanging nodes in adaptively h-refined meshes).

  • 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

  • disable_fpoptimizerFalseDisable the function parser algebraic optimizer

    Default:False

    C++ Type:bool

    Controllable:No

    Description:Disable the function parser algebraic optimizer

  • enable_ad_cacheTrueEnable caching of function derivatives for faster startup time

    Default:True

    C++ Type:bool

    Controllable:No

    Description:Enable caching of function derivatives for faster startup time

  • enable_auto_optimizeTrueEnable automatic immediate optimization of derivatives

    Default:True

    C++ Type:bool

    Controllable:No

    Description:Enable automatic immediate optimization of derivatives

  • enable_jitTrueEnable just-in-time compilation of function expressions for faster evaluation

    Default:True

    C++ Type:bool

    Controllable:No

    Description:Enable just-in-time compilation of function expressions for faster evaluation

  • evalerror_behaviornanWhat to do if evaluation error occurs. Options are to pass a nan, pass a nan with a warning, throw a error, or throw an exception

    Default:nan

    C++ Type:MooseEnum

    Options:nan, nan_warning, error, exception

    Controllable:No

    Description:What to do if evaluation error occurs. Options are to pass a nan, pass a nan with a warning, throw a error, or throw an exception

Parsed Expression 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<std::string>

    Controllable:No

    Description:List of material properties, from this material, to output (outputs must also be defined to an output type)

  • outputsnone Vector of output names where you would like to restrict the output of variables(s) associated with this object

    Default:none

    C++ Type:std::vector<OutputName>

    Controllable:No

    Description:Vector of output names where you would like to restrict the output of variables(s) associated with this object

Outputs 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

Input Files