- elementsAmounts of elements
C++ Type:std::vector<VariableName>
Unit:(no unit assumed)
Controllable:No
Description:Amounts of elements
- temperatureCoupled temperature
C++ Type:std::vector<VariableName>
Unit:(no unit assumed)
Controllable:No
Description:Coupled temperature
ThermochimicaElementData
Provides access to Thermochimica-calculated data at elements.
commentnote:For Use with Thermochimica
This UserObject is designed for use with thermochemistry library Thermochimica.
Description
ThermochimicaElementData performs Thermochimica calculations on elements.
commentnote
This object can only be set up using the ChemicalComposition action
Thermochimica is called by this object at every execute (please see the Thermochimica user manual for more details), and the data required to re-initialize Thermochimica calculations is saved/loaded if re-initialization is enabled.
Example Input Syntax
Input 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
- output_element_phasesElements whose molar amounts in specific phases are requested
C++ Type:std::vector<VariableName>
Unit:(no unit assumed)
Controllable:No
Description:Elements whose molar amounts in specific phases are requested
- output_element_potentialsChemical potentials of elements
C++ Type:std::vector<VariableName>
Unit:(no unit assumed)
Controllable:No
Description:Chemical potentials of elements
- output_phasesAmounts of phases to be output
C++ Type:std::vector<VariableName>
Unit:(no unit assumed)
Controllable:No
Description:Amounts of phases to be output
- output_speciesAmounts of species to be output
C++ Type:std::vector<VariableName>
Unit:(no unit assumed)
Controllable:No
Description:Amounts of species to be output
- output_species_unitmolesMass unit for output species: mole_fractions or moles
Default:moles
C++ Type:MooseEnum
Controllable:No
Description:Mass unit for output species: mole_fractions or moles
- output_vapor_pressuresVapour pressures of species to be output
C++ Type:std::vector<VariableName>
Unit:(no unit assumed)
Controllable:No
Description:Vapour pressures of species to be output
- pressure1.0Pressure
Default:1.0
C++ Type:std::vector<VariableName>
Unit:(no unit assumed)
Controllable:No
Description:Pressure
- reinit_typenodalReinitialization scheme to use with Thermochimica
Default:nodal
C++ Type:MooseEnum
Controllable:No
Description:Reinitialization scheme to use with Thermochimica
- thermofileThermodynamic file to be used for Thermochimica calculations
C++ Type:FileName
Controllable:No
Description:Thermodynamic file to be used for Thermochimica calculations
Optional Parameters
- allow_duplicate_execution_on_initialFalseIn the case where this UserObject is depended upon by an initial condition, allow it to be executed twice during the initial setup (once before the IC and again after mesh adaptivity (if applicable).
Default:False
C++ Type:bool
Controllable:No
Description:In the case where this UserObject is depended upon by an initial condition, allow it to be executed twice during the initial setup (once before the IC and again after mesh adaptivity (if applicable).
- execute_onTIMESTEP_ENDThe list of flag(s) indicating when this object should be executed. For a description of each flag, see https://mooseframework.inl.gov/source/interfaces/SetupInterface.html.
Default:TIMESTEP_END
C++ Type:ExecFlagEnum
Controllable:No
Description:The list of flag(s) indicating when this object should be executed. For a description of each flag, see https://mooseframework.inl.gov/source/interfaces/SetupInterface.html.
- execution_order_group0Execution order groups are executed in increasing order (e.g., the lowest number is executed first). Note that negative group numbers may be used to execute groups before the default (0) group. Please refer to the user object documentation for ordering of user object execution within a group.
Default:0
C++ Type:int
Controllable:No
Description:Execution order groups are executed in increasing order (e.g., the lowest number is executed first). Note that negative group numbers may be used to execute groups before the default (0) group. Please refer to the user object documentation for ordering of user object execution within a group.
- force_postauxFalseForces the UserObject to be executed in POSTAUX
Default:False
C++ Type:bool
Controllable:No
Description:Forces the UserObject to be executed in POSTAUX
- force_preauxFalseForces the UserObject to be executed in PREAUX
Default:False
C++ Type:bool
Controllable:No
Description:Forces the UserObject to be executed in PREAUX
- force_preicFalseForces the UserObject to be executed in PREIC during initial setup
Default:False
C++ Type:bool
Controllable:No
Description:Forces the UserObject to be executed in PREIC during initial setup
Execution Scheduling 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
- 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.