UO2PulverizationMesoscale

Determines whether or not the fuel has pulverized into small fragments during a Loss of Coolant Accident using a mesoscale-informed pulverization criterion.

Description

The UO2PulverizationMesoscale material computes whether or not the UO fuel has disintegrated into fine fragments. There are two criteria available for pulverization, one of which is based on an analytical derivation and one of which is based on fits to data from a phase-field fracture model. The critical bubble pressure for pulverization is computed by one of these criteria, selected by the user. The model also computes the current pressure of the statistically most likely bubble size in the HBS region and compares current bubble pressure to the critical pressure. If the current bubble pressure is greater than the critical pressure, pulverization is deemed to have occurred and the material property _pulverized is changed from 0 to 1. Further details on the model are available in INL technical reports (Aagesen et al., 2021; Aagesen et al., 2022).

Analytical criterion for pulverization

The analytical criterion for pulverization is based on an expression that was originally developed for fragmentation along grain boundaries for lenticular bubbles in UO (Olander, 1997). Because pulverization is predominantly observed to occur in regions where the high burnup structure (HBS) in UO fuel has formed, the analytical model has been adapted to apply to the morphology of bubbles in the HBS region. These bubbles are approximately spherical and their sizes can be described by a log-normal distribution. The criterion for fine fragmentation to occur is met when the gas pressure inside the statistically most common bubble (i.e., bubble with the statistically most common size) exceeds the critical pressure : where is the surface tension of the bubble-fuel interface, is the bubble radius, is the critical fracture stress of the grain boundaries intersecting the bubble, is areal fraction of the grain boundary occupied by the bubble, and is the local hydrostatic stress. In applying this equation, it is assumed that there is a a uniform array of the statistically most likely bubbles and that a flat grain boundary intersects each bubble; this neglects the more complex actual morphology of the bubbles and of the grain boundaries in the HBS. The statistically most common bubble size is m (Kulacsy, 2015). Additionally, it is assumed that the local volume fraction of HBS formation must be greater than a threshold value (user-definable with a default of 0.17 (Biswas et al., 2023)) for pulverization to occur.

Given the assumed geometry, can be calculated from the local porosity in the HBS structure, , using This criterion is used by default (pulverization_criterion_type = Analytical).

Phase-field fracture criterion for pulverization

can also be determined based on a phase-field fracture model-based criterion. The phase-field criterion was derived from simulations of fragmentation of a pressurized gas bubble in the HBS region. The grain structure is assumed to be fully restructured with an average grain size of 200 nm. The most common bubble size of m was used in a phase-field fracture model with periodic boundary conditions. Different values of porosity, external pressure, and critical fracture stress were explored to derive a phase-field criterion dependent on these factors.

Three different criteria were developed over time and are available to use:

The first criterion was derived using 2D phase field simulations (Aagesen et al., 2021) and can be selected using pulverization_criterion_type = Phase_field_2D. It provides in Pa as (1) where and are in MPa. defaults to 130 MPa but can be updated using critical_gb_stress.

The second criterion is similar to the 2D one above, but is based on 3D phase field simulations (Aagesen et al., 2022). It can be selected using pulverization_criterion_type = Phase_field_3D. The equation for in Pa becomes (2) where defaults to 130 MPa but can be updated using critical_gb_stress.

The third criterion leveraged molecular dynamic simulations to determine the critical fracture stress of the grain boundaries intersecting the bubble (Biswas et al., 2023). As such, the pulverization criteria is expressed in terms of porosity and external load only since it implicitly accounts for temperature and bubble configuration on the critical fracture stress. Variations in critical fracture stress are therefore considered as uncertainties. The new criteria is derived from 2D phase-field simulations (Biswas et al., 2023). This criterion can be used by setting pulverization_criterion_type = phase_field_2D_multiscale. The equation for in Pa becomes

(3) where is in MPa.

It is important to note that the references (Aagesen et al., 2021; Aagesen et al., 2022) refer to external pressure () when defining the equations for . In Eq. (1) and Eq. (2) the definition of is used.

Note that it is possible to use the input scalar_critical_pressure, which defaults as 1, as a multiplicative scalar for . This enables sensitivity studies or adjustments of to account for uncertainties.

In all these cases, it is assumed that the local volume fraction of HBS formation must be greater than a threshold value (user-definable with a default of 0.17 (Biswas et al., 2023)) for pulverization to occur.

Bubble pressure calculation

The gas pressure in the statistically most likely bubble is determined starting from previous experimental observations of the HBS region (Nogita and Une, 1995). The pressure in a bubble with m was estimated to have an upper bound limit of 100 MPa in fuel that was operated at a temperature of 673 K. The default values for initial pressure and reference temperature are set based on this estimate. The current bubble pressure and size are evolved based on the following set of equations. The gas concentration in the solid matrix surrounding the bubbles is assumed to be in quasi-steady state conditions. In this case, the number of gas atoms transported to each existing bubble is equal to the production rate per unit volume, divided by the number of bubbles per unit volume: where is the number of gas atoms per bubble, is the fission gas yield, is the fission rate density, and is the number of bubbles per unit volume. The number of vacancies per bubble, , was calculated as (Barani et al., 2019): (4) where is the intra-granular vacancy diffusion coefficient, is the radius of the equivalent Wigner-Seitz cell surrounding a bubble, and is a dimensionless factor defined as: (5) where . is the equilibrium pressure for a bubble of radius , as calculated using the Laplace-Young equation: (6) After updated values of and are calculated, the bubble pressure is calculated using a rearranged formulation of the van der Waals equation of state (Barani et al., 2019): (7) where m is the volume of a vacancy on a U lattice site in UO. The updated bubble volume is calculated using where m is the van der Waals atomic volume for Xe (Olander, 1976). The current bubble radius is calculated from the volume as

The values of and are compared, and when and the local volume fraction of HBS is greater than the threshold (user-definable with a default of 0.17 (Biswas et al., 2023)), pulverization is determined to occur at the local quadrature point.

Example Input Syntax

[Materials<<<{"href": "../../syntax/Materials/index.html"}>>>]
  [uo2pulverizationmesoscale]
    type = UO2PulverizationMesoscale<<<{"description": "Determines whether or not the fuel has pulverized into small fragments during a Loss of Coolant Accident using a mesoscale-informed pulverization criterion.", "href": "UO2PulverizationMesoscale.html"}>>>
    block<<<{"description": "The list of blocks (ids or names) that this object will be applied"}>>> = fuel
    temperature<<<{"description": "Coupled temperature"}>>> = temperature
    output_properties<<<{"description": "List of material properties, from this material, to output (outputs must also be defined to an output type)"}>>> = pulverized
    outputs<<<{"description": "Vector of output names where you would like to restrict the output of variables(s) associated with this object"}>>> = exodus
  []
[]
(test/tests/axial_relocation/uo2_pulverization_mesoscale.i)

Input Parameters

  • 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

  • critical_gb_stress1.3e+08Critical stress at which a grain boundary fractures

    Default:1.3e+08

    C++ Type:double

    Unit:(no unit assumed)

    Controllable:No

    Description:Critical stress at which a grain boundary fractures

  • 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.

  • hbs_volume_fraction_threshold0.17Minimum local volume fraction of HBS for pulverization to occur

    Default:0.17

    C++ Type:double

    Unit:(no unit assumed)

    Controllable:No

    Description:Minimum local volume fraction of HBS for pulverization to occur

  • pulverization_criterion_typeAnalyticalWhich pulverization criterion to use

    Default:Analytical

    C++ Type:MooseEnum

    Options:Analytical, Phase_field_2D, Phase_field_3D, Phase_field_2D_multiscale

    Controllable:No

    Description:Which pulverization criterion to use

  • scalar_critical_pressure1Multiplicative scalar to adjust the value of the critical fragmentation pressure

    Default:1

    C++ Type:double

    Unit:(no unit assumed)

    Controllable:No

    Description:Multiplicative scalar to adjust the value of the critical fragmentation pressure

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

  1. Larry K Aagesen, Sudipta Biswas, Kyle Gamble, Wen Jiang, Pierre-Clément Simon, and Benjamin Spencer. Implementation and testing of physics-based pulverization model in BISON. Technical Report INL/RPT-22-67941 Rev. 0, Idaho National Laboratory, 2022.[BibTeX]
  2. Larry K Aagesen, Sudipta Biswas, Wen Jiang, David Andersson, Michael Cooper, and Christopher Matthews. Mesoscale simulations to inform microstructure-based pulverization criterion in high-burnup UO$_2$. Technical Report INL/EXT-21-64275 Rev. 0, Idaho National Laboratory, 2021.[BibTeX]
  3. T. Barani, G. Pastore, D. Pizzocri, D.A. Andersson, C. Matthews, A. Alfonsi, K.A. Gamble, P. Van Uffelen, L. Luzzi, and J.D. Hales. Multiscale modeling of fission gas behavior in U3Si2 under LWR conditions. Journal of Nuclear Materials, 522:97 – 110, 2019. doi:10.1016/j.jnucmat.2019.04.037.[BibTeX]
  4. Sudipta Biswas, Larry K Aagesen, Wen Jiang, Conor O Galvin, and Michael Cooper. Multiscale modeling for high burnup structure formation and associated pulverization. Technical Report INL/RPT-23-74953 Rev. 0, Idaho National Laboratory, 2023.[BibTeX]
  5. K. Kulacsy. Mechanistic model for the fragmentation of the high-burnup structure during LOCA. Journal of Nuclear Materials, 466:409–416, 2015.[BibTeX]
  6. Kazuhiro Nogita and Katsumi Une. Irradiation-induced recrystallization in high burnup UO$_2$ fuel. Journal of Nuclear Materials, 226:302–310, 1995.[BibTeX]
  7. D. R. Olander. Fundamental aspects of nuclear reactor fuel elements. Technical Information Center, Energy Research and Development Administration, 1976.[BibTeX]
  8. D. R. Olander. RIA-related issues concerning fission gas in irradiated PWR fuel. Technical Report, Institut de Protection et de Surete Nucleaire, Cadarache, France, 1997.[BibTeX]