PhaseUPuZr

Determines the phase for a given temperature and Zr atom concentration from the pseudo-binary phase diagram for U-Pu-Zr fuel.

Description

Zirconium redistribution in U-Zr and U-Pu-Zr based fuels impacts both fuel mechanical and thermal performance. For the detailed theoretical information of the calculation of the UPuZr phases and impact on redistribution, refer to the Zirconium Redistribution page.

Numerical Implementation in BISON

The diffusivity of zirconium in UPuZr fuel is heavily dependent on the current phase. This is true for both Fickian and Soret type diffusion. As such, it is essential to know where the current mesh point lies within the pseudo two-phase diagram as a function of temperature and zirconium concentration . This is achieved using the solubility curve solution (1) to calculate the solvus lines, typically with the default parameters, however each parameter can be set at run-time. Once each solvus line is calculated, the point described by (, ) will explicitly give the phase diagram region, either in the single phase regions (, , , ) or the two-phase regions (, ).

While determination of the phase region is important, it does not provide the necessary composition fractions of each single phase in the two-phase region. In addition, the smoothing of the diffusion coefficients and is necessary to ensure adequate convergence. As such, PhaseUPuZr explicitly tracks the fraction of each single phase type for any combination of (, ), determining each phase's contribution in the 2-phase region using the lever-rule, and artificially smoothing the transitions between phases by using an artificial smoothing width.

Two types of smoothing are required. The first occurs when the zirconium concentration is held constant, and temperature increases (or decreases) across a phase-transition line described by the transition temperatures between points A and B () and points C and D () in the simplified phase diagram. A mixing width (typically 2 K) is utilized such that if the temperature falls within of a temperature transition , the relative fraction of the upper and lower phases are smoothed across the transition region so that abrupt changes are avoided. Similar smoothing is required as temperature is held constant and moves across solvus lines. Smoothing occurs across the region of the solvus line, with typically 0.02.

After the lever rule is applied to the two-phase region and all smoothing is calculated, PhaseUPuZr returns the fraction of each single phase region at any given point. This information can then be used to calculate any phase dependent properties.

Example Input Syntax

[Materials<<<{"href": "../../syntax/Materials/index.html"}>>>]
  [phase]
    type = PhaseUPuZr<<<{"description": "Determines the phase for a given temperature and                                Zr atom concentration from the pseudo-binary phase diagram for U-Pu-Zr fuel.", "href": "PhaseUPuZr.html"}>>>
    block<<<{"description": "The list of blocks (ids or names) that this object will be applied"}>>> = 0
    temperature<<<{"description": "Coupled temperature."}>>> = temp
    X_Pu<<<{"description": "Coupled plutonium atom fraction."}>>> = 0.16
    X_Zr<<<{"description": "Coupled zirconium atom fraction."}>>> = X_Zr
    lever_weight_coeffs<<<{"description": "Weighting factor coefficients (2 total) for modifying default linear lever rule in two-phase region (default: linear [0, 1])"}>>> = '.1 .9' # different for testing, usually '0 1'
    outputs<<<{"description": "Vector of output names where you would like to restrict the output of variables(s) associated with this object"}>>> = 'all'
  []
[]
(test/tests/phase_upuzr/patch.i)

Input Parameters

  • X_PuCoupled plutonium atom fraction.

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

    Unit:(no unit assumed)

    Controllable:No

    Description:Coupled plutonium atom fraction.

  • X_ZrCoupled zirconium atom fraction.

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

    Unit:(no unit assumed)

    Controllable:No

    Description:Coupled zirconium atom fraction.

  • temperatureCoupled temperature.

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

    Unit:(no unit assumed)

    Controllable:No

    Description:Coupled temperature.

Required Parameters

  • AB_temp868.15Material property name for the horizontal temperature line between points A and B in the pseudo-binary phase diagram.

    Default:868.15

    C++ Type:MaterialPropertyName

    Unit:(no unit assumed)

    Controllable:No

    Description:Material property name for the horizontal temperature line between points A and B in the pseudo-binary phase diagram.

  • A_conc0.04Zirconium concentration at point A in the psuedo-binary phase diagram.

    Default:0.04

    C++ Type:double

    Unit:(no unit assumed)

    Controllable:No

    Description:Zirconium concentration at point A in the psuedo-binary phase diagram.

  • B_conc0.7Zirconium concentration at point B in the psuedo-binary phase diagram.

    Default:0.7

    C++ Type:double

    Unit:(no unit assumed)

    Controllable:No

    Description:Zirconium concentration at point B in the psuedo-binary phase diagram.

  • CD_temp923.15Material property name for the horizontal temperature line between points C and D in the pseudo-binary phase diagram.

    Default:923.15

    C++ Type:MaterialPropertyName

    Unit:(no unit assumed)

    Controllable:No

    Description:Material property name for the horizontal temperature line between points C and D in the pseudo-binary phase diagram.

  • C_conc0.033Zirconium concentration at point C in the psuedo-binary phase diagram.

    Default:0.033

    C++ Type:double

    Unit:(no unit assumed)

    Controllable:No

    Description:Zirconium concentration at point C in the psuedo-binary phase diagram.

  • D_conc0.43Zirconium concentration at point D in the psuedo-binary phase diagram.

    Default:0.43

    C++ Type:double

    Unit:(no unit assumed)

    Controllable:No

    Description:Zirconium concentration at point D in the psuedo-binary phase diagram.

  • H_values100000 -50000 -100000 -3000 Phase H values. Must have four values: Alpha, Beta, Gamma, Delta

    Default:100000 -50000 -100000 -3000

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

    Unit:(no unit assumed)

    Controllable:No

    Description:Phase H values. Must have four values: Alpha, Beta, Gamma, Delta

  • 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

  • calc_HTrueFlag to automatically calculate H values

    Default:True

    C++ Type:bool

    Controllable:No

    Description:Flag to automatically calculate H values

  • 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.

  • conc_mixing_width0.02Width of mixing gap used when crossing phase boundaries by changing Zr concentration.

    Default:0.02

    C++ Type:double

    Unit:(no unit assumed)

    Controllable:No

    Description:Width of mixing gap used when crossing phase boundaries by changing Zr concentration.

  • 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.

  • lever_weight_coeffs0 1 Weighting factor coefficients (2 total) for modifying default linear lever rule in two-phase region (default: linear [0, 1])

    Default:0 1

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

    Unit:(no unit assumed)

    Controllable:No

    Description:Weighting factor coefficients (2 total) for modifying default linear lever rule in two-phase region (default: linear [0, 1])

  • lower_concentrations0.002 0.05 0.98 0.76 Lower zirconium concentration points used to calculate H values. Must have four values: Alpha, Beta, Gamma, Delta

    Default:0.002 0.05 0.98 0.76

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

    Unit:(no unit assumed)

    Controllable:No

    Description:Lower zirconium concentration points used to calculate H values. Must have four values: Alpha, Beta, Gamma, Delta

  • temp_mixing_width2Width of mixing gap used when crossing phase boundaries by changing temperature.

    Default:2

    C++ Type:double

    Unit:(no unit assumed)

    Controllable:No

    Description:Width of mixing gap used when crossing phase boundaries by changing temperature.

  • verboseFalsePrint diagnostic information

    Default:False

    C++ Type:bool

    Controllable:No

    Description:Print diagnostic information

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