- aVan der Waals coeefficient a (default mass_unit_conversion requires this to be in [eV*Ang^3])
C++ Type:double
Description:Van der Waals coeefficient a (default mass_unit_conversion requires this to be in [eV*Ang^3])
- cConcentration variable
C++ Type:std::vector
Description:Concentration variable
- bVan der Waals molecular exclusion volume b (default mass_unit_conversion requires this to be in [Ang^3])
C++ Type:double
Description:Van der Waals molecular exclusion volume b (default mass_unit_conversion requires this to be in [Ang^3])
- mGas atom mass (the default mass_unit_conversion requires this to be in [u])
C++ Type:double
Description:Gas atom mass (the default mass_unit_conversion requires this to be in [u])
- TTemperature
C++ Type:std::vector
Description:Temperature
- omegaLattice site volume (default mass_unit_conversion requires this to be in [Ang^3])
C++ Type:double
Description:Lattice site volume (default mass_unit_conversion requires this to be in [Ang^3])
VanDerWaalsFreeEnergy
Free energy of a Van der Waals gas.
This material defines the Helmholtz free energy density of a Van der Waals gas.
(1)
where (a) and (b) are the Van der Waals coefficients, and !include GasFreeEnergyBase.md
Input Parameters
- computeTrueWhen false, MOOSE will not call compute methods on this material. The user must call computeProperties() after retrieving the Material via MaterialPropertyInterface::getMaterial(). Non-computed Materials are not sorted for dependencies.
Default:True
C++ Type:bool
Description:When false, MOOSE will not call compute methods on this material. The user must call computeProperties() after retrieving the Material via MaterialPropertyInterface::getMaterial(). Non-computed Materials are not sorted for dependencies.
- log_tol0.1The logarithm in the free energy is evaluated using a Taylor expansion below this value. This allows formulating free energies for systems where the molecular volume is smaller than the exclusion volume b.
Default:0.1
C++ Type:double
Description:The logarithm in the free energy is evaluated using a Taylor expansion below this value. This allows formulating free energies for systems where the molecular volume is smaller than the exclusion volume b.
- f_nameFBase name of the free energy function (used to name the material properties)
Default:F
C++ Type:std::string
Description:Base name of the free energy function (used to name the material properties)
- derivative_order3Maximum order of derivatives taken
Default:3
C++ Type:unsigned int
Description:Maximum order of derivatives taken
- boundaryThe list of boundary IDs from the mesh where this boundary condition applies
C++ Type:std::vector
Description:The list of boundary IDs from the mesh where this boundary condition applies
- blockThe list of block ids (SubdomainID) that this object will be applied
C++ Type:std::vector
Description:The list of block ids (SubdomainID) that this object will be applied
Optional Parameters
- fail_on_evalerrorFalseFail fatally if a function evaluation returns an error code (otherwise just pass on NaN)
Default:False
C++ Type:bool
Description:Fail fatally if a function evaluation returns an error code (otherwise just pass on NaN)
- enableTrueSet the enabled status of the MooseObject.
Default:True
C++ Type:bool
Description:Set the enabled status of the MooseObject.
- 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
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.
- enable_jitTrueEnable just-in-time compilation of function expressions for faster evaluation
Default:True
C++ Type:bool
Description:Enable just-in-time compilation of function expressions for faster evaluation
- control_tagsAdds user-defined labels for accessing object parameters via control logic.
C++ Type:std::vector
Description:Adds user-defined labels for accessing object parameters via control logic.
- seed0The seed for the master random number generator
Default:0
C++ Type:unsigned int
Description:The seed for the master random number generator
- enable_auto_optimizeTrueEnable automatic immediate optimization of derivatives
Default:True
C++ Type:bool
Description:Enable automatic immediate optimization of derivatives
- disable_fpoptimizerFalseDisable the function parser algebraic optimizer
Default:False
C++ Type:bool
Description:Disable the function parser algebraic optimizer
- enable_ad_cacheTrueEnable cacheing of function derivatives for faster startup time
Default:True
C++ Type:bool
Description:Enable cacheing of function derivatives for faster startup time
- implicitTrueDetermines whether this object is calculated using an implicit or explicit form
Default:True
C++ Type:bool
Description:Determines whether this object is calculated using an implicit or explicit form
- 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 computeSubdomainProperties() 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
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 computeSubdomainProperties() for the 0th quadrature point, and then copy that value to the other qps. Evaluations on element qps will be skipped
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
Description:List of material properties, from this material, to output (outputs must also be defined to an output type)
- outputsnone Vector of output names were you would like to restrict the output of variables(s) associated with this object
Default:none
C++ Type:std::vector
Description:Vector of output names were you would like to restrict the output of variables(s) associated with this object
Outputs Parameters
- kB8.61733e-05Boltzmann constant (default in [eV/K])
Default:8.61733e-05
C++ Type:double
Description:Boltzmann constant (default in [eV/K])
- mass_unit_conversion1.03643e-28Conversion factor to get the gas atom mass in [eV*s^2/Ang^2] (defaults to [eV*s^2/(Ang^2*u)])
Default:1.03643e-28
C++ Type:double
Description:Conversion factor to get the gas atom mass in [eV*s^2/Ang^2] (defaults to [eV*s^2/(Ang^2*u)])
- h4.13567e-15Planck constant - units need to be consistent with the units of omega (default in [eV*s])
Default:4.13567e-15
C++ Type:double
Description:Planck constant - units need to be consistent with the units of omega (default in [eV*s])