- d1First coefficient (m**2/s)
C++ Type:double
Unit:(no unit assumed)
Controllable:Yes
Description:First coefficient (m**2/s)
- d1_coefCoefficient of the first coefficient (m/s)
C++ Type:double
Unit:(no unit assumed)
Controllable:Yes
Description:Coefficient of the first coefficient (m/s)
- q1First activation energy (J/mol)
C++ Type:double
Unit:(no unit assumed)
Controllable:Yes
Description:First activation energy (J/mol)
- q1_coefCoefficient of the first activation energy (J/mol/m)
C++ Type:double
Unit:(no unit assumed)
Controllable:Yes
Description:Coefficient of the first activation energy (J/mol/m)
- temperatureCoupled temperature
C++ Type:std::vector<VariableName>
Unit:(no unit assumed)
Controllable:No
Description:Coupled temperature
ArrheniusDiffusionCoefMicrostructureIrradiation
Computes a two-term Arrhenius diffusion coefficient dependent on microstructure and neutron flux
Description
This material inherits from ArrheniusDiffusionCoef and computes a two-term Arrhenius diffusion coefficient that depends on the microstructure and the irradiation level (flux). The effect of microstructure and irradiation on diffusion has been investigated for Ag diffusion in SiC layer of TRISO particles in Jiang et al. (2021), Simon et al. (2022), and Aagesen et al. (2022). The diffusion coefficient is described as is the thermal contribution to the diffusion (m/s), is the irradiation-enhanced contribution to the diffusivity (m/s) with , is the microstructure variable (m), is the temperature (K), F is the flux (n/m/s), and is a scalar used to scale the diffusivity to the desired value, if needed.
is defined as where is a microstructure-dependent pre-exponential factor (m/s), is the microstructure-dependent activation energy (J/mol), and is the universal gas constant (J/mol/K).
is defined as where represents how irradiation affects diffusion. n/m/s ensures that is adimensional. is therefore linearly dependent of the microstructure variable, increases exponentially with the inverse of the temperature, and evolves as a power law with respect to the flux. The coefficients can be optimized to fit the available data. is in (n/m/s), is adimensional, is in m, and is in K.
The parameters scalar, d1, d2, d1_coef, d2_coef, q1, q2, q1_coef, q2_coef, d1_irr_0, d1_irr_1, d1_irr_2, d1_irr_3, d2_irr_0, d2_irr_1, d2_irr_2, d2_irr_3, and grain_minor_axis_length, which respectively correspond to , , , , , , , , , , , , , , , , , and are declared as controllable parameters. Their values can be modified during runtime with the Controls System. Relevant values to account for microstructure and irradiation effects on Ag diffusion in SiC, derived in Jiang et al. (2021) and Simon et al. (2022), are provided in Table 1.
Table 1: Parameters values for Ag diffusion in SiC (Aagesen et al., 2022).
| Parameter name in BISON | Coefficient name | Value | Units |
|---|---|---|---|
scalar | 10 | (unitless) | |
grain_minor_axis_length | 0.3 10 | (m) | |
d1 | 6.88 10 | (m/s) | |
d1_coef | -5.10 10 | (m/s) | |
q1 | 211 10 | (J/mol) | |
q1_coef | 3.82 10 | (J/mol/m) | |
d1_irr_0 | 2.80 10 | (unitless) | |
d1_irr_1 | 0.458 | (unitless) | |
d1_irr_2 | 8.30 10 | (m) | |
d1_irr_3 | 9.41 10 | (K) | |
d2 | 0 | (m/s) | |
d2_coef | 0 | (m/s) | |
q2 | 0 | (J/mol) | |
q2_coef | 0 | (J/mol/m) | |
d2_irr_0 | 0 | (unitless) | |
d2_irr_1 | 0 | (unitless) | |
d2_irr_2 | 0 | (m) | |
d2_irr_3 | 0 | (K) |
Example Input Syntax
[Materials<<<{"href": "../../syntax/Materials/index.html"}>>>]
[SiC_conc_Ag]
type = ArrheniusDiffusionCoefMicrostructureIrradiation<<<{"description": "Computes a two-term Arrhenius diffusion coefficient dependent on microstructure and neutron flux", "href": "ArrheniusDiffusionCoefMicrostructureIrradiation.html"}>>>
block<<<{"description": "The list of blocks (ids or names) that this object will be applied"}>>> = SiC
scalar<<<{"description": "Scalar to multiply the diffusion coefficient (unitless)"}>>> = 10
d1<<<{"description": "First coefficient (m**2/s)"}>>> = 6.88e-10 # m^2/s
d1_coef<<<{"description": "Coefficient of the first coefficient (m/s)"}>>> = -5.10e-4 # m/s
q1<<<{"description": "First activation energy (J/mol)"}>>> = 211e3 # J/mol
q1_coef<<<{"description": "Coefficient of the first activation energy (J/mol/m)"}>>> = 3.82e9 # J/mol/m
grain_minor_axis_length<<<{"description": "Average minor axis length of the grain (perpendicular to diffusion direction) (m)"}>>> = 0.3e-6 # m
d1_irr_0<<<{"description": "First Arrhenius law: First coefficient for irradiation effects - scale (unitless)"}>>> = 2.80e-13 # (n/m^2/s)^-1
d1_irr_1<<<{"description": "First Arrhenius law: Second coefficient for irradiation effects - flux (unitless)"}>>> = 0.458 # (-)
d1_irr_2<<<{"description": "First Arrhenius law: Third coefficient for irradiation effects - grain size (1/m)"}>>> = 8.30e6 # m^-1
d1_irr_3<<<{"description": "First Arrhenius law: Forth coefficient for irradiation effects - temperature (1/K)"}>>> = 9.41e3 # K^-1
temperature<<<{"description": "Coupled temperature"}>>> = temperature # K
flux<<<{"description": "Coupled flux (n/m^2/2)."}>>> = flux # n/m^2/s
arrhenius_prpty_name<<<{"description": "Property name for the Arrhenius diffusion coefficient."}>>> = arrhenius_diffusion_coef_Ag
[]
[](assessment/TRISO/validation/AGR-1/AGR-1_Ag_Microstructure_Irradiation.i)Input Parameters
- R8.31446Universal gas constant.
Default:8.31446
C++ Type:double
Unit:(no unit assumed)
Controllable:No
Description:Universal gas constant.
- arrhenius_prpty_namearrhenius_diffusion_coefProperty name for the Arrhenius diffusion coefficient.
Default:arrhenius_diffusion_coef
C++ Type:std::string
Controllable:No
Description:Property name for the Arrhenius diffusion coefficient.
- 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
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
- d1_irr_00First Arrhenius law: First coefficient for irradiation effects - scale (unitless)
Default:0
C++ Type:double
Unit:(no unit assumed)
Controllable:Yes
Description:First Arrhenius law: First coefficient for irradiation effects - scale (unitless)
- d1_irr_10First Arrhenius law: Second coefficient for irradiation effects - flux (unitless)
Default:0
C++ Type:double
Unit:(no unit assumed)
Controllable:Yes
Description:First Arrhenius law: Second coefficient for irradiation effects - flux (unitless)
- d1_irr_20First Arrhenius law: Third coefficient for irradiation effects - grain size (1/m)
Default:0
C++ Type:double
Unit:(no unit assumed)
Controllable:Yes
Description:First Arrhenius law: Third coefficient for irradiation effects - grain size (1/m)
- d1_irr_30First Arrhenius law: Forth coefficient for irradiation effects - temperature (1/K)
Default:0
C++ Type:double
Unit:(no unit assumed)
Controllable:Yes
Description:First Arrhenius law: Forth coefficient for irradiation effects - temperature (1/K)
- d20Second coefficient (m**2/s)
Default:0
C++ Type:double
Unit:(no unit assumed)
Controllable:Yes
Description:Second coefficient (m**2/s)
- d2_coef0Coefficient of the second coefficient (m/s)
Default:0
C++ Type:double
Unit:(no unit assumed)
Controllable:Yes
Description:Coefficient of the second coefficient (m/s)
- d2_functionFunction to be multiplied by d2
C++ Type:FunctionName
Unit:(no unit assumed)
Controllable:No
Description:Function to be multiplied by d2
- d2_function_variableVariable to be used when evaluating d2_function. If not given, time will be used.
C++ Type:std::vector<VariableName>
Unit:(no unit assumed)
Controllable:No
Description:Variable to be used when evaluating d2_function. If not given, time will be used.
- d2_irr_00Second Arrhenius law: First coefficient for irradiation effects - scale (unitless)
Default:0
C++ Type:double
Unit:(no unit assumed)
Controllable:Yes
Description:Second Arrhenius law: First coefficient for irradiation effects - scale (unitless)
- d2_irr_10Second Arrhenius law: Second coefficient for irradiation effects - flux (unitless)
Default:0
C++ Type:double
Unit:(no unit assumed)
Controllable:Yes
Description:Second Arrhenius law: Second coefficient for irradiation effects - flux (unitless)
- d2_irr_20Second Arrhenius law: Third coefficient for irradiation effects - grain size (1/m)
Default:0
C++ Type:double
Unit:(no unit assumed)
Controllable:Yes
Description:Second Arrhenius law: Third coefficient for irradiation effects - grain size (1/m)
- d2_irr_30Second Arrhenius law: Forth coefficient for irradiation effects - temperature (1/K)
Default:0
C++ Type:double
Unit:(no unit assumed)
Controllable:Yes
Description:Second Arrhenius law: Forth coefficient for irradiation effects - temperature (1/K)
- 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.
- fluxCoupled flux (n/m^2/2).
C++ Type:std::vector<VariableName>
Unit:(no unit assumed)
Controllable:No
Description:Coupled flux (n/m^2/2).
- gas_constant8.31446Universal gas constant (J/mol-K)
Default:8.31446
C++ Type:double
Unit:(no unit assumed)
Controllable:No
Description:Universal gas constant (J/mol-K)
- grain_minor_axis_length0Average minor axis length of the grain (perpendicular to diffusion direction) (m)
Default:0
C++ Type:double
Unit:(no unit assumed)
Controllable:Yes
Description:Average minor axis length of the grain (perpendicular to diffusion direction) (m)
- q1_functionFunction to be multiplied by q1
C++ Type:FunctionName
Unit:(no unit assumed)
Controllable:No
Description:Function to be multiplied by q1
- q1_function_variableVariable to be used when evaluating q1_function. If not given, time will be used.
C++ Type:std::vector<VariableName>
Unit:(no unit assumed)
Controllable:No
Description:Variable to be used when evaluating q1_function. If not given, time will be used.
- q20Second activation energy (J/mol)
Default:0
C++ Type:double
Unit:(no unit assumed)
Controllable:Yes
Description:Second activation energy (J/mol)
- q2_coef0Coefficient of the second activation energy (J/mol/m)
Default:0
C++ Type:double
Unit:(no unit assumed)
Controllable:Yes
Description:Coefficient of the second activation energy (J/mol/m)
- q2_functionFunction to be multiplied by q2
C++ Type:FunctionName
Unit:(no unit assumed)
Controllable:No
Description:Function to be multiplied by q2
- q2_function_variableVariable to be used when evaluating q2_function. If not given, time will be used.
C++ Type:std::vector<VariableName>
Unit:(no unit assumed)
Controllable:No
Description:Variable to be used when evaluating q2_function. If not given, time will be used.
- scalar1Scalar to multiply the diffusion coefficient (unitless)
Default:1
C++ Type:double
Unit:(no unit assumed)
Controllable:Yes
Description:Scalar to multiply the diffusion coefficient (unitless)
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
Input Files
References
- Larry K. Aagesen, Chao Jiang, Wen Jiang, Jia-Hong Ke, Pierre-Clément A. Simon, and Lin Yang.
Demonstrate improved Ag diffusion and describe the basis for Pd penetration modeling in SiC.
Technical Report INL/RPT-22-02769, Idaho National Laboratory, 9 2022.[BibTeX]
- C. Jiang, J.-H. Ke, P.-C. A. Simon, W. Jiang, and L. K. Aagesen.
Atomistic and mesoscale simulations to determine effective diffusion coefficient of fission products in SiC.
Technical Report INL/EXT-21-64633, Idaho National Laboratory, September 2021.[BibTeX]
- P.-C.A. Simon, L. K. Aagesen, C. Jiang, W. Jiang, and J.-H. Ke.
Mechanistic calculation of the effective silver diffusion coefficient in polycrystalline silicon carbide: application to silver release in AGR-1 TRISO particles.
Journal of Nuclear Materials, 563:153669, 2022.
doi:10.1016/j.jnucmat.2022.153669.[BibTeX]