HighBurnupStructureFormation

Computes the local volume fraction of high burnup structure (HBS) as a function of burnup and temperature.

Description

The HighBurnupStructureFormation model computes the local volume fraction of high burnup structure (HBS) in UO as a function of burnup (or effective burnup) and temperature (Simon et al., 2023). It also computes the rate of change in HBS volume fraction with respect to burnup (or effective burnup).

In nuclear fuel under irradiation, in regions where substantial irradiation damage (high local burnup) is accompanied by a relatively low temperature, a dramatic change occurs to the as-fabricated microstructure. The restructuring involves the appearance of sub-micrometric grains free of extended defects and depleted of fission gas, and of micrometric gaseous pores at the grain boundaries. This phenomenon is referred to as High Burnup Structure (HBS) formation or, historically, rim effect (Barney and Wemple, 1958; Rondinella and Wiss, 2010). The latter definition relates to the fact that the restructuring in light water reactor (LWR) UO fuel starts at (and was originally thought to be limited to) the periphery of the pellet, where higher power density and burnup develop as a consequence of the fissile () concentration increase due to the capture of epithermal neutrons in the resonances of .

The formation of the HBS is gradual and depends on the local burnup and temperature. In particular, the HBS starts forming as a new phase within the regular fuel structure, with the local volume fraction of HBS progressively increasing with increasing local burnup. For example, Gerczak et al. (2018) investigated the HBS formation in UO using advanced electron microscopy techniques and focusing on the correlation between the restructuring and the spatial distribution of grain boundary misorientations. They pointed out that the HBS is predominantly defined by high-angle grain boundaries, and the presence of low-angle grain boundaries indicates an incomplete transition to the HBS. While the HBS development was complete at the pellet periphery for the analyzed sample, the presence of local "in transition" areas, corresponding to an incomplete restructuring (i.e., local volume fraction of HBS between 0 and 1) was clearly identified at intermediate radial locations (Gerczak et al., 2018).

The HighBurnupStructureFormation model computes the evolving volume fraction of restructured (HBS) fuel based on two different models from Barani et al. (2020) and Lassmann et al. (1995), which are detailed below (Simon et al., 2023). This quantity is calculated locally at each BISON engineering mesh point, which represents a region of fuel large enough to contain a statistically significant number of microstructural features. The model from Barani et al. (2020) is listed as the default (hbs_model = "JMAK_Barani"), but the user can select the Lassmann et al. (1995) HBS formation model using hbs_model = "Lassmann".

HBS formation model from Lassmann et al. (1995)

The model from Lassmann et al. describes a sudden transition to HBS when the burnup reaches a burnup threshold or around 60 to 75 MWd/kgU (Lassmann et al., 1995). The default value in BISON is set to 70 MWd/kgU, but can be selected using the threshold_burnup parameter. With this model, the HBS volume fraction ( - dimensionless) is therefore defined as

(1) where the burnup and is the burnup threshold.

The derivative of with respect to burnup is defined as 0.

HBS formation model from Barani et al. (2020)

In the model from Barani et al. (2020), the HBS volume fraction is computed as a function of the effective burnup, defined as the burnup accumulated below a threshold temperature for thermal annealing of defects. The effective burnup is calculated as:

(2)

where is the Heaviside step function, the absolute temperature, the threshold temperature, and the burnup. The considered threshold temperature is 1273.15 K.

The volume fraction of HBS is calculated using the Kolmogorov-Johnson-Mehl-Avrami (KJMA) formalism for phase transformations. The original KJMA formulation reads (Kolmogorov, 1937)

(3)

where is the volume fraction of the new phase, the transformation rate constant, the time and the so-called Avrami constant.

The specific expression proposed in Barani et al. (2020) to describe HBS formation considers the effective burnup in place of the time and values for the constants based on fitting to experimental data for the restructured volume fraction derived from Noirot et al. (2015) and Gerczak et al. (2018). The expression implemented in BISON reads:

(4)

where (dimensionless) is the volume fraction of HBS and (MWd/kg) the effective burnup (Eq. (2)). Eq. (4) corresponds to the model proposed in Barani et al. (2020) with modified coefficients based on a later development.

commentnote

Note that the values used in BISON differ slightly from the values listed in Barani et al. (2020) ( and ). The values used in BISON better fit the data. It is believed that the values provided in Barani et al. (2020) could have been a typo given that the results shown in Fig. 4 from Barani et al. (2020) correspond to the model with the BISON parameters.

The volume fraction of HBS as a function of the effective burnup according to Eq. (4) and the available experimental data are illustrated in Figure 1.

Figure 1: Volume fraction of HBS as a function of the effective burnup according to the model implemented in BISON and based on Barani et al. (2020). Experimental data derived from Noirot et al. (2015) and Gerczak et al. (2018) in Barani et al. (2020) and used for model fitting are also shown.

The derivative of as a function of the effective burnup is given by (5)

Example Input Syntax

[Materials<<<{"href": "../../syntax/Materials/index.html"}>>>]
  [hbs_formation]
    type = HighBurnupStructureFormation<<<{"description": "Computes the local volume fraction of high burnup structure (HBS) as a function of burnup and temperature.", "href": "HighBurnupStructureFormation.html"}>>>
    block<<<{"description": "The list of blocks (ids or names) that this object will be applied"}>>> = 0
    temperature<<<{"description": "Coupled temperature"}>>> = temperature
    burnup<<<{"description": "Coupled burnup"}>>> = burnup
    threshold_temperature<<<{"description": "Threshold temperature for effective burnup calculation in K for the `JMAK_Barani` model"}>>> = 1273.15 # default
    energy_per_fission<<<{"description": "Energy released per fission in J/fission"}>>> = 3.28451e-11 # default
    output_properties<<<{"description": "List of material properties, from this material, to output (outputs must also be defined to an output type)"}>>> = 'hbs_volume_fraction hbs_volume_fraction_burnup_rate'
    outputs<<<{"description": "Vector of output names where you would like to restrict the output of variables(s) associated with this object"}>>> = 'all'
  []
[]
(test/tests/high_burnup_structure_formation/hbs_formation_constant_temperature.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

  • burnupCoupled burnup

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

    Unit:(no unit assumed)

    Controllable:No

    Description:Coupled burnup

  • burnup_functionBurnup function

    C++ Type:BurnupFunctionName

    Unit:(no unit assumed)

    Controllable:No

    Description:Burnup function

  • 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.

  • energy_per_fission3.28451e-11Energy released per fission in J/fission

    Default:3.28451e-11

    C++ Type:double

    Unit:(no unit assumed)

    Controllable:No

    Description:Energy released per fission in J/fission

  • hbs_model_typeJMAK_BaraniType of HBS formation model to use.

    Default:JMAK_Barani

    C++ Type:MooseEnum

    Options:Lassmann, JMAK_Barani

    Controllable:No

    Description:Type of HBS formation model to use.

  • threshold_burnup70Threshold burnup in GWd/tU and MWd/kgU for HBS formation for the `Lassmann` model (60-75 MWd/kgU)

    Default:70

    C++ Type:double

    Unit:(no unit assumed)

    Controllable:No

    Description:Threshold burnup in GWd/tU and MWd/kgU for HBS formation for the `Lassmann` model (60-75 MWd/kgU)

  • threshold_temperature1273.15Threshold temperature for effective burnup calculation in K for the `JMAK_Barani` model

    Default:1273.15

    C++ Type:double

    Unit:(no unit assumed)

    Controllable:No

    Description:Threshold temperature for effective burnup calculation in K for the `JMAK_Barani` model

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. T. Barani, D. Pizzocri, F. Cappia, L. Luzzi, G. Pastore, and P. Van Uffelen. Modeling high burnup structure in oxide fuels for application to fuel performance codes. part I: High burnup structure formation. Journal of Nuclear Materials, 539:152296, 2020. doi:10.1016/j.jnucmat.2020.152296.[BibTeX]
  2. W. Barney and B. Wemple. Metallography of UO$_2$-containing fuel elements. Technical Report KAPL-1836, Knolls Atomic Power Laboratory, USA, 1958.[BibTeX]
  3. T.J. Gerczak, C.M. Parish, P.D. Edmondson, C.A. Baldwin, and K.A. Terrani. Restructuring in high burnup UO$_2$ studied using modern electron microscopy. Journal of Nuclear Materials, 509:245–259, 2018. doi:10.1016/j.jnucmat.2018.05.077.[BibTeX]
  4. A.N. Kolmogorov. On the statistical theory of crystallization of metals. Ser. Mat., 3:355–359, 1937.[BibTeX]
  5. K. Lassmann, C.T. Walker, J. van de Laar, and F. Lindström. Modelling the high burnup UO$_2$ structure in LWR fuel. Journal of Nuclear Materials, 226:1–8, 1995.[BibTeX]
  6. J. Noirot, Y. Pontillon, S. Yagnik, and J.A. Turnbull. Post-irradiation examinations and high-temperature tests on undoped large-grain UO$_2$ discs. Journal of Nuclear Materials, 462:77–84, 2015. doi:10.1016/j.jnucmat.2015.03.008.[BibTeX]
  7. V.V. Rondinella and T. Wiss. The high burn-up structure in nuclear fuel. Materials Today, 13(12):24–32, 2010.[BibTeX]
  8. Pierre-Clément A. Simon, Larry Kenneth Aagesen, Jr., Nathan Capps, Michael W. D. Cooper, Kyle A. Gamble, Logan H. Harbour, Christopher Matthews, Stephen R. Novascone, Daniel Schwen, and Brian Wirth. Compare predictions of transient fission gas release by empirical and mechanistic models to experiments in high burnup UO$_2$ fuel. Tech. Rep. INL/RPT-23-75026, Idaho National Laboratory, Idaho Falls, ID United States, 9 2023. URL: https://www.osti.gov/biblio/2203701, doi:10.2172/2203701.[BibTeX]