ArrheniusMaterialProperty

Arbitrary material property of the sum of an arbitary number ( $var element = document.getElementById("moose-equation-675a0a28-f224-47c8-9208-b56b9fdb48dd");katex.render("i", element, {displayMode:false,throwOnError:false});$ ) of Arrhenius functions $var element = document.getElementById("moose-equation-2b56346e-2a90-4c7c-857c-5dc39360c59e");katex.render("A_i * \\exp{-Q_i / (RT)}", element, {displayMode:false,throwOnError:false});$ , where $var element = document.getElementById("moose-equation-4d522d96-8190-493f-a14e-4ca1931926f4");katex.render("A_i", element, {displayMode:false,throwOnError:false});$ is the frequency factor, $var element = document.getElementById("moose-equation-bc00fb18-49d9-4fef-9b20-7e3ef654934b");katex.render("Q_i", element, {displayMode:false,throwOnError:false});$ is the activation energy, and $var element = document.getElementById("moose-equation-9f6fb69a-ac4d-4904-b0c0-cc34133eaad9");katex.render("R", element, {displayMode:false,throwOnError:false});$ is the gas constant.

Description

ArrheniusMaterialProperty is used to declare an arbitrary material property $var element = document.getElementById("moose-equation-0d23e122-8382-4b64-b121-6b66ae99af11");katex.render("D", element, {displayMode:false,throwOnError:false});$ . For example, mass diffusion coefficients are typically defined using an Arrhenius form (Miller et al., 2009) $var element = document.getElementById("moose-equation-a6b8f8df-798e-4049-bf84-ffa6fb4142c5");katex.render("D(T) = \\sum_i D_{0,i}\\exp{ \\left( \\frac{-Q_{i}}{RT} \\right)}", element, {displayMode:true,throwOnError:false});$ where $var element = document.getElementById("moose-equation-3131ca63-bd2c-43eb-97b1-3aa4c5893e28");katex.render("D_{0,i}", element, {displayMode:false,throwOnError:false});$ is a pre-exponential factor, $var element = document.getElementById("moose-equation-156a0295-2c1c-48e8-b5e8-0c37bb64e9bc");katex.render("Q_i", element, {displayMode:false,throwOnError:false});$ is the activation energy, $var element = document.getElementById("moose-equation-d5c88862-d05c-4b08-9619-fd30a5bac4d7");katex.render("R", element, {displayMode:false,throwOnError:false});$ is the universal gas constant, and $var element = document.getElementById("moose-equation-3c6088f7-45e7-4bd2-9a81-620fbad2b534");katex.render("T", element, {displayMode:false,throwOnError:false});$ is temperature. Also included is the derivative of $var element = document.getElementById("moose-equation-bc09cafe-8377-4c89-9c6d-f215fa464fdf");katex.render("D", element, {displayMode:false,throwOnError:false});$ with respect to temperature.

Example Input Syntax

[Materials<<<{"href": "../../syntax/Materials/index.html"}>>>]
  [D]
    type = ArrheniusMaterialProperty<<<{"description": "Arbitrary material property of the sum of an arbitary number ($i$) of Arrhenius functions $A_i * \\exp{-Q_i / (RT)}$, where $A_i$ is the frequency factor, $Q_i$ is the activation energy, and $R$ is the gas constant.", "href": "ArrheniusMaterialProperty.html"}>>>
    temperature<<<{"description": "Coupled temperature"}>>> = temp
    activation_energy<<<{"description": "List of activation energies"}>>> = '0.5 0.1'
    frequency_factor<<<{"description": "List of Arrhenius pre-exponential coefficients"}>>> = '5 3e-3'
    gas_constant<<<{"description": "Gas constant for Arrhenius function"}>>> = 8.617e-5
    property_name<<<{"description": "Specify the name of this material property"}>>> = D
    outputs<<<{"description": "Vector of output names where you would like to restrict the output of variables(s) associated with this object"}>>> = all
  []
[]

Input Parameters

activation_energyList of activation energies
C++ Type:std::vector<double>
Unit:(no unit assumed)
Controllable:No
Description:List of activation energies
frequency_factorList of Arrhenius pre-exponential coefficients
C++ Type:std::vector<double>
Unit:(no unit assumed)
Controllable:No
Description:List of Arrhenius pre-exponential coefficients
property_nameSpecify the name of this material property
C++ Type:std::string
Controllable:No
Description:Specify the name of this material property
temperatureCoupled temperature
C++ Type:std::vector<VariableName>
Unit:(no unit assumed)
Controllable:No
Description:Coupled temperature

Required Parameters

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_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
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.
gas_constant8.31446Gas constant for Arrhenius function
Default:8.31446
C++ Type:double
Unit:(no unit assumed)
Controllable:No
Description:Gas constant for Arrhenius function
initial_temperature1Initial temperature utilized for initialization of stateful properties
Default:1
C++ Type:double
Unit:(no unit assumed)
Controllable:No
Description:Initial temperature utilized for initialization of stateful properties

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
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

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

References

G. K. Miller, D. A. Petti, J. T. Maki, and D. L. Knudsen. PARFUME theory and model basis report. Technical Report INL/EXT-08-14497, Idaho National Laboratory, 2009.

@TechReport{rpt:miller:2009,
    author = "Miller, G. K. and Petti, D. A. and Maki, J. T. and Knudsen, D. L.",
    institution = "Idaho National Laboratory",
    number = "INL/EXT-08-14497",
    title = "{PARFUME} Theory and Model Basis Report",
    year = "2009"
}

(moose/modules/misc/test/tests/arrhenius_material_property/exact.i)

[Mesh]
  [mesh]
    type = GeneratedMeshGenerator
    dim = 1
  []
[]

[Variables]
  [temp]
    initial_condition = 1100
  []
[]

[Kernels]
  [heat]
    type = Diffusion
    variable = temp
  []
[]

[BCs]
  [temp]
    type = FunctionDirichletBC
    variable = temp
    boundary = 'left right'
    function = '100 * t + 100'
  []
[]

[Materials]
  [D]
    type = ArrheniusMaterialProperty
    temperature = temp
    activation_energy = '0.5 0.1'
    frequency_factor = '5 3e-3'
    gas_constant = 8.617e-5
    property_name = D
    outputs = all
  []
  [D_exact]
    type = ParsedMaterial
    property_name = D_exact
    coupled_variables = temp
    constant_names = 'Q1 D01 Q2 D02 R'
    constant_expressions = '0.5 5 0.1 3e-3 8.617e-5'
    expression = 'D01 * exp(-Q1 / R / temp) + D02 * exp(-Q2 / R / temp)'
    outputs = all
  []
  [D_dT_exact]
    type = ParsedMaterial
    property_name = D_dT_exact
    coupled_variables = temp
    constant_names = 'Q1 D01 Q2 D02 R'
    constant_expressions = '0.5 5 0.1 3e-3 8.617e-5'
    expression = '(D01 * exp(-Q1 / R / temp) / temp / temp * Q1 / R) + (D02 * exp(-Q2 / R / temp) / temp / temp * Q2 / R)'
    outputs = all
  []
[]

[Executioner]
  type = Transient

  num_steps = 10
[]

[Postprocessors]
  [D]
    type = ElementAverageValue
    variable = D
  []
  [D_dT]
    type = ElementAverageValue
    variable = D_dT
  []
  [D_exact]
    type = ElementAverageValue
    variable = D_exact
  []
  [D_dT_exact]
    type = ElementAverageValue
    variable = D_dT_exact
  []
  [diff_D]
    type = DifferencePostprocessor
    value1 = 'D'
    value2 = 'D_exact'
    outputs = console
  []
  [diff_D_dT]
    type = DifferencePostprocessor
    value1 = 'D_dT'
    value2 = 'D_dT_exact'
    outputs = console
  []
[]

[Outputs]
  csv = true
[]

Description
Example Input Syntax
Input Parameters
References