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Public Types | Public Member Functions | Static Public Member Functions | Protected Types | Protected Member Functions | Protected Attributes | Private Member Functions | Private Attributes | List of all members
KKSCHBulk Class Referenceabstract

CHBulk child class that takes all the necessary data from a KKSBaseMaterial. More...

#include <KKSCHBulk.h>

Inheritance diagram for KKSCHBulk:
[legend]

Public Types

typedef DerivativeMaterialPropertyNameInterface::SymbolName SymbolName
 

Public Member Functions

 KKSCHBulk (const InputParameters &parameters)
 
virtual void initialSetup ()
 
const GenericMaterialProperty< U, is_ad > & getDefaultMaterialProperty (const std::string &name)
 
const GenericMaterialProperty< U, is_ad > & getDefaultMaterialPropertyByName (const std::string &name)
 
void validateDerivativeMaterialPropertyBase (const std::string &base)
 
const MaterialPropertyName derivativePropertyName (const MaterialPropertyName &base, const std::vector< SymbolName > &c) const
 
const MaterialPropertyName derivativePropertyNameFirst (const MaterialPropertyName &base, const SymbolName &c1) const
 
const MaterialPropertyName derivativePropertyNameSecond (const MaterialPropertyName &base, const SymbolName &c1, const SymbolName &c2) const
 
const MaterialPropertyName derivativePropertyNameThird (const MaterialPropertyName &base, const SymbolName &c1, const SymbolName &c2, const SymbolName &c3) const
 
GenericMaterialProperty< U, is_ad > & declarePropertyDerivative (const std::string &base, const std::vector< VariableName > &c)
 
GenericMaterialProperty< U, is_ad > & declarePropertyDerivative (const std::string &base, const std::vector< SymbolName > &c)
 
GenericMaterialProperty< U, is_ad > & declarePropertyDerivative (const std::string &base, const SymbolName &c1, const SymbolName &c2="", const SymbolName &c3="")
 
GenericMaterialProperty< U, is_ad > & declarePropertyDerivative (const std::string &base, const std::vector< VariableName > &c)
 
GenericMaterialProperty< U, is_ad > & declarePropertyDerivative (const std::string &base, const std::vector< SymbolName > &c)
 
GenericMaterialProperty< U, is_ad > & declarePropertyDerivative (const std::string &base, const SymbolName &c1, const SymbolName &c2="", const SymbolName &c3="")
 
const GenericMaterialProperty< U, is_ad > & getMaterialPropertyDerivative (const std::string &base, const std::vector< VariableName > &c)
 
const GenericMaterialProperty< U, is_ad > & getMaterialPropertyDerivative (const std::string &base, const std::vector< SymbolName > &c)
 
const GenericMaterialProperty< U, is_ad > & getMaterialPropertyDerivative (const std::string &base, const SymbolName &c1, const SymbolName &c2="", const SymbolName &c3="")
 
const GenericMaterialProperty< U, is_ad > & getMaterialPropertyDerivative (const std::string &base, const SymbolName &c1, unsigned int v2, unsigned int v3=libMesh::invalid_uint)
 
const GenericMaterialProperty< U, is_ad > & getMaterialPropertyDerivative (const std::string &base, unsigned int v1, unsigned int v2=libMesh::invalid_uint, unsigned int v3=libMesh::invalid_uint)
 
const GenericMaterialProperty< U, is_ad > & getMaterialPropertyDerivative (const std::string &base, const std::vector< VariableName > &c)
 
const GenericMaterialProperty< U, is_ad > & getMaterialPropertyDerivative (const std::string &base, const std::vector< SymbolName > &c)
 
const GenericMaterialProperty< U, is_ad > & getMaterialPropertyDerivative (const std::string &base, const SymbolName &c1, const SymbolName &c2="", const SymbolName &c3="")
 
const GenericMaterialProperty< U, is_ad > & getMaterialPropertyDerivative (const std::string &base, const SymbolName &c1, unsigned int v2, unsigned int v3=libMesh::invalid_uint)
 
const GenericMaterialProperty< U, is_ad > & getMaterialPropertyDerivative (const std::string &base, unsigned int v1, unsigned int v2=libMesh::invalid_uint, unsigned int v3=libMesh::invalid_uint)
 
const GenericMaterialProperty< U, is_ad > & getMaterialPropertyDerivativeByName (const MaterialPropertyName &base, const std::vector< VariableName > &c)
 
const GenericMaterialProperty< U, is_ad > & getMaterialPropertyDerivativeByName (const MaterialPropertyName &base, const std::vector< SymbolName > &c)
 
const GenericMaterialProperty< U, is_ad > & getMaterialPropertyDerivativeByName (const MaterialPropertyName &base, const SymbolName &c1, const SymbolName &c2="", const SymbolName &c3="")
 
const GenericMaterialProperty< U, is_ad > & getMaterialPropertyDerivativeByName (const MaterialPropertyName &base, const std::vector< VariableName > &c)
 
const GenericMaterialProperty< U, is_ad > & getMaterialPropertyDerivativeByName (const MaterialPropertyName &base, const std::vector< SymbolName > &c)
 
const GenericMaterialProperty< U, is_ad > & getMaterialPropertyDerivativeByName (const MaterialPropertyName &base, const SymbolName &c1, const SymbolName &c2="", const SymbolName &c3="")
 
void validateCoupling (const MaterialPropertyName &base, const std::vector< VariableName > &c, bool validate_aux=true)
 
void validateCoupling (const MaterialPropertyName &base, const VariableName &c1="", const VariableName &c2="", const VariableName &c3="")
 
void validateCoupling (const MaterialPropertyName &base, const std::vector< VariableName > &c, bool validate_aux=true)
 
void validateCoupling (const MaterialPropertyName &base, const VariableName &c1="", const VariableName &c2="", const VariableName &c3="")
 
void validateNonlinearCoupling (const MaterialPropertyName &base, const VariableName &c1="", const VariableName &c2="", const VariableName &c3="")
 
void validateNonlinearCoupling (const MaterialPropertyName &base, const VariableName &c1="", const VariableName &c2="", const VariableName &c3="")
 
const MaterialPropertyName propertyName (const MaterialPropertyName &base, const std::vector< SymbolName > &c) const
 
const MaterialPropertyName propertyName (const MaterialPropertyName &base, const std::vector< SymbolName > &c) const
 
const MaterialPropertyName propertyNameFirst (const MaterialPropertyName &base, const SymbolName &c1) const
 
const MaterialPropertyName propertyNameFirst (const MaterialPropertyName &base, const SymbolName &c1) const
 
const MaterialPropertyName propertyNameSecond (const MaterialPropertyName &base, const SymbolName &c1, const SymbolName &c2) const
 
const MaterialPropertyName propertyNameSecond (const MaterialPropertyName &base, const SymbolName &c1, const SymbolName &c2) const
 
const MaterialPropertyName propertyNameThird (const MaterialPropertyName &base, const SymbolName &c1, const SymbolName &c2, const SymbolName &c3) const
 
const MaterialPropertyName propertyNameThird (const MaterialPropertyName &base, const SymbolName &c1, const SymbolName &c2, const SymbolName &c3) const
 

Static Public Member Functions

static InputParameters validParams ()
 

Protected Types

enum  PFFunctionType
 

Protected Member Functions

virtual RealGradient computeGradDFDCons (PFFunctionType type)
 Note that per product and chain rules: \( \frac{d}{du_j}\left(F(u)\nabla u\right) = \nabla u \frac {dF(u)}{du}\frac{du}{du_j} + F(u)\frac{d\nabla u}{du_j} \) which is: \( \nabla u \frac {dF(u)}{du} \phi_j + F(u) \nabla \phi_j \).
 
virtual Real computeQpOffDiagJacobian (unsigned int jvar)
 
virtual RealGradient precomputeQpResidual ()
 
virtual RealGradient precomputeQpJacobian ()
 
virtual RealGradient computeGradDFDCons (PFFunctionType type)=0
 

Protected Attributes

const MaterialProperty< Real > & _M
 Mobility.
 
const MaterialProperty< Real > & _dMdc
 Mobility derivative w.r.t. concentration.
 
std::vector< const MaterialProperty< Real > * > _dMdarg
 Mobility derivative w.r.t coupled variables.
 

Private Member Functions

bool haveMaterialProperty (const std::string &prop_name)
 
std::vector< VariableName > buildVariableVector (const VariableName &c1, const VariableName &c2, const VariableName &c3)
 
void validateCouplingHelper (const MaterialPropertyName &base, const std::vector< VariableName > &c, const System &system, std::vector< VariableName > &missing)
 
bool isNotObjectVariable (const VariableName &name)
 

Private Attributes

std::vector< const MaterialProperty< Real > * > _second_derivatives
 Derivatives of \( dFa/dca \) with respect to all coupled variables.
 
std::vector< std::vector< const MaterialProperty< Real > * > > _third_derivatives
 Second derivatives of dFa/dca with respect to all coupled variables.
 
std::vector< const MaterialProperty< Real > * > _third_derivatives_ca
 Derivatives of \( d^2Fa/dca^2 \) with respect to all coupled variables.
 
std::vector< const VariableGradient * > _grad_args
 Gradients for all coupled variables.
 
const MaterialProperty< Real > & _prop_h
 h(eta) material property
 
const MaterialProperty< Real > & _second_derivative_Fa
 Second derivative \( d^2Fa/dca^2 \).
 
const MaterialProperty< Real > & _second_derivative_Fb
 Second derivative \( d^2Fb/dcb^2 \).
 
FEProblemBase & _dmi_fe_problem
 
unsigned int _ca_var
 Phase concentration variables.
 
const VariableName _ca_name
 
unsigned int _cb_var
 
const VariableName _cb_name
 

Detailed Description

CHBulk child class that takes all the necessary data from a KKSBaseMaterial.

We calculate \( \nabla\frac{\partial F_a}{\partial c_a} \). This takes advantage of the KKS identity

\( dF/dc = dF_a/dc_a (= dF_b/dc_b) \)

The non-linear variable for this Kernel is the concentration 'c'. The user picks one phase free energy \( F_a \) (f_base) and its corresponding phase concentration \( c_a \)

Definition at line 28 of file KKSCHBulk.h.

Member Enumeration Documentation

◆ PFFunctionType

enum CHBulk::PFFunctionType
protectedinherited

Definition at line 38 of file CHBulk.h.

39 {
40 Jacobian,
41 Residual
42 };

Constructor & Destructor Documentation

◆ KKSCHBulk()

KKSCHBulk::KKSCHBulk ( const InputParameters &  parameters)

Definition at line 39 of file KKSCHBulk.C.

40 : CHBulk<Real>(parameters),
41 _ca_var(coupled("ca")),
42 _ca_name(coupledName("ca", 0)),
43 _cb_var(coupled("cb")),
44 _cb_name(coupledName("cb", 0)),
45 _prop_h(getMaterialProperty<Real>("h_name")),
46 _second_derivative_Fa(getMaterialPropertyDerivative<Real>("fa_name", _ca_name, _ca_name)),
47 _second_derivative_Fb(getMaterialPropertyDerivative<Real>("fb_name", _cb_name, _cb_name))
48{
49 // reserve space for derivatives
50 _second_derivatives.resize(_n_args);
51 _third_derivatives.resize(_n_args);
52 _third_derivatives_ca.resize(_n_args);
53 _grad_args.resize(_n_args);
54
55 // Iterate over all coupled variables
56 for (unsigned int i = 0; i < _n_args; ++i)
57 {
58
59 // get the second derivative material property (TODO:warn)
60 _second_derivatives[i] = &getMaterialPropertyDerivative<Real>("fa_name", _ca_name, i);
61
62 // get the third derivative material properties
63 _third_derivatives[i].resize(_n_args);
64 for (unsigned int j = 0; j < _n_args; ++j)
65 _third_derivatives[i][j] = &getMaterialPropertyDerivative<Real>("fa_name", _ca_name, i, j);
66
67 MooseVariable * cvar = _coupled_standard_moose_vars[i];
68
69 // third derivative for the on-diagonal jacobian
70 _third_derivatives_ca[i] =
71 &getMaterialPropertyDerivative<Real>("fa_name", _ca_name, _ca_name, cvar->name());
72
73 // get the gradient
74 _grad_args[i] = &(cvar->gradSln());
75 }
76}
CHBulk
This is the Cahn-Hilliard equation base class that implements the bulk or local energy term of the eq...
Definition CHBulk.h:26
KKSCHBulk::_second_derivative_Fb
const MaterialProperty< Real > & _second_derivative_Fb
Second derivative .
Definition KKSCHBulk.h:66
KKSCHBulk::_second_derivatives
std::vector< const MaterialProperty< Real > * > _second_derivatives
Derivatives of with respect to all coupled variables.
Definition KKSCHBulk.h:48
KKSCHBulk::_second_derivative_Fa
const MaterialProperty< Real > & _second_derivative_Fa
Second derivative .
Definition KKSCHBulk.h:63
KKSCHBulk::_grad_args
std::vector< const VariableGradient * > _grad_args
Gradients for all coupled variables.
Definition KKSCHBulk.h:57
KKSCHBulk::_prop_h
const MaterialProperty< Real > & _prop_h
h(eta) material property
Definition KKSCHBulk.h:60
KKSCHBulk::_ca_name
const VariableName _ca_name
Definition KKSCHBulk.h:42
KKSCHBulk::_cb_var
unsigned int _cb_var
Definition KKSCHBulk.h:43
KKSCHBulk::_third_derivatives_ca
std::vector< const MaterialProperty< Real > * > _third_derivatives_ca
Derivatives of with respect to all coupled variables.
Definition KKSCHBulk.h:54
KKSCHBulk::_third_derivatives
std::vector< std::vector< const MaterialProperty< Real > * > > _third_derivatives
Second derivatives of dFa/dca with respect to all coupled variables.
Definition KKSCHBulk.h:51
KKSCHBulk::_ca_var
unsigned int _ca_var
Phase concentration variables.
Definition KKSCHBulk.h:41
KKSCHBulk::_cb_name
const VariableName _cb_name
Definition KKSCHBulk.h:44
MaterialProperty::resize
virtual void resize(const std::size_t size) override final
MooseVariableFE::name
const std::string & name() const
MooseVariableFE::gradSln
const FieldVariableGradient & gradSln() const override

Member Function Documentation

◆ computeGradDFDCons() [1/2]

RealGradient KKSCHBulk::computeGradDFDCons ( PFFunctionType  type)
protectedvirtual

Note that per product and chain rules: \( \frac{d}{du_j}\left(F(u)\nabla u\right) = \nabla u \frac {dF(u)}{du}\frac{du}{du_j} + F(u)\frac{d\nabla u}{du_j} \) which is: \( \nabla u \frac {dF(u)}{du} \phi_j + F(u) \nabla \phi_j \).

Definition at line 86 of file KKSCHBulk.C.

87{
88 RealGradient res = 0.0;
89
90 switch (type)
91 {
92 case Residual:
93 for (unsigned int i = 0; i < _n_args; ++i)
94 res += (*_second_derivatives[i])[_qp] * (*_grad_args[i])[_qp];
95
96 return res;
97
98 case Jacobian:
99 // the nonlinear variable is c, but the free energy only contains the
100 // phase concentrations. Equation (23) in the KKS paper gives the chain-
101 // rule derivative dca/dc
102 /* Real dcadc = _second_derivative_Fb[_qp]
103 / ( (1.0 - _prop_h[_qp]) * _second_derivative_Fb[_qp]
104 + _prop_h[_qp] * _second_derivative_Fa[_qp]); */
105 // The (1-h)*X_b, h*X_a pairing is opposite to what the KKSPhaseConcentration kernel does!
106
107 res = _second_derivative_Fa[_qp] * _grad_phi[_j][_qp];
108
109 for (unsigned int i = 0; i < _n_args; ++i)
110 res += (*_third_derivatives_ca[i])[_qp] * (*_grad_args[i])[_qp] * _phi[_j][_qp];
111
112 // convergence improves if we return 0.0 here
113 return 0.0; // res * dcadc;
114 }
115
116 mooseError("Invalid type passed in");
117}
mooseError
void mooseError(Args &&... args)
libMesh::RealGradient
RealVectorValue RealGradient
Definition ElasticityTensorTools.h:18

◆ computeGradDFDCons() [2/2]

virtual RealGradient CHBulk< Real >::computeGradDFDCons ( PFFunctionType  type)
protectedpure virtualinherited

◆ computeQpOffDiagJacobian()

Real KKSCHBulk::computeQpOffDiagJacobian ( unsigned int  jvar)
protectedvirtual

Reimplemented from CHBulk< Real >.

Definition at line 120 of file KKSCHBulk.C.

121{
122 // get the coupled variable jvar is referring to
123 const unsigned int cvar = mapJvarToCvar(jvar);
124
125 RealGradient res = (*_second_derivatives[cvar])[_qp] * _grad_phi[_j][_qp];
126
127 for (unsigned int i = 0; i < _n_args; ++i)
128 res += (*_third_derivatives[i][cvar])[_qp] * (*_grad_args[i])[_qp] * _phi[_j][_qp];
129
130 // keeping this term seems to improve the solution.
131 return res * _grad_test[_i][_qp];
132}

◆ initialSetup()

void CHBulk< Real >::initialSetup ( )
virtualinherited

Definition at line 31 of file CHBulk.h.

87{
88 validateNonlinearCoupling<Real>("mob_name");
89}

◆ precomputeQpJacobian()

RealGradient CHBulk< Real >::precomputeQpJacobian ( )
protectedvirtualinherited

Definition at line 35 of file CHBulk.h.

101{
102 RealGradient grad_value = _M[_qp] * computeGradDFDCons(Jacobian) +
103 _dMdc[_qp] * _phi[_j][_qp] * computeGradDFDCons(Residual);
104
105 return grad_value;
106}
CHBulk< Real >::_M
const MaterialProperty< Real > & _M
Mobility.
Definition CHBulk.h:47
CHBulk< Real >::computeGradDFDCons
virtual RealGradient computeGradDFDCons(PFFunctionType type)=0
CHBulk< Real >::_dMdc
const MaterialProperty< Real > & _dMdc
Mobility derivative w.r.t. concentration.
Definition CHBulk.h:50

◆ precomputeQpResidual()

RealGradient CHBulk< Real >::precomputeQpResidual ( )
protectedvirtualinherited

Definition at line 34 of file CHBulk.h.

94{
95 return _M[_qp] * computeGradDFDCons(Residual);
96}

◆ validParams()

InputParameters KKSCHBulk::validParams ( )
static

Definition at line 15 of file KKSCHBulk.C.

16{
17 InputParameters params = CHBulk<Real>::validParams();
18 params.addClassDescription("KKS model kernel for the Bulk Cahn-Hilliard term. This operates on "
19 "the concentration 'c' as the non-linear variable");
20 params.addRequiredParam<MaterialPropertyName>("fa_name",
21 "Base name of the free energy function "
22 "F (f_name in the corresponding "
23 "derivative function material)");
24 params.addRequiredParam<MaterialPropertyName>("fb_name",
25 "Base name of the free energy function "
26 "F (f_name in the corresponding "
27 "derivative function material)");
28 params.addRequiredCoupledVar(
29 "ca", "phase concentration corresponding to the non-linear variable of this kernel");
30 params.addRequiredCoupledVar(
31 "cb", "phase concentration corresponding to the non-linear variable of this kernel");
32 params.addCoupledVar("args_a", "Vector of additional arguments to Fa");
33 params.addParam<MaterialPropertyName>(
34 "h_name", "h", "Base name for the switching function h(eta)"); // TODO: everywhere else this
35 // is called just "h"
36 return params;
37}
CHBulk::validParams
static InputParameters validParams()
Definition CHBulk.h:75
InputParameters::addRequiredCoupledVar
void addRequiredCoupledVar(const std::string &name, const std::string &doc_string)
InputParameters::addRequiredParam
void addRequiredParam(const std::string &name, const std::string &doc_string)
InputParameters::addParam
void addParam(const std::string &name, const std::initializer_list< typename T::value_type > &value, const std::string &doc_string)
InputParameters::addClassDescription
void addClassDescription(const std::string &doc_string)
InputParameters::addCoupledVar
void addCoupledVar(const std::string &name, const std::string &doc_string)

Member Data Documentation

◆ _ca_name

const VariableName KKSCHBulk::_ca_name
private

Definition at line 42 of file KKSCHBulk.h.

Referenced by KKSCHBulk().

◆ _ca_var

unsigned int KKSCHBulk::_ca_var
private

Phase concentration variables.

Definition at line 41 of file KKSCHBulk.h.

◆ _cb_name

const VariableName KKSCHBulk::_cb_name
private

Definition at line 44 of file KKSCHBulk.h.

◆ _cb_var

unsigned int KKSCHBulk::_cb_var
private

Definition at line 43 of file KKSCHBulk.h.

◆ _dMdarg

std::vector<const MaterialProperty<Real > *> CHBulk< Real >::_dMdarg
protectedinherited

Mobility derivative w.r.t coupled variables.

Definition at line 53 of file CHBulk.h.

◆ _dMdc

const MaterialProperty<Real >& CHBulk< Real >::_dMdc
protectedinherited

Mobility derivative w.r.t. concentration.

Definition at line 50 of file CHBulk.h.

◆ _grad_args

std::vector<const VariableGradient *> KKSCHBulk::_grad_args
private

Gradients for all coupled variables.

Definition at line 57 of file KKSCHBulk.h.

Referenced by computeGradDFDCons(), computeQpOffDiagJacobian(), and KKSCHBulk().

◆ _M

const MaterialProperty<Real >& CHBulk< Real >::_M
protectedinherited

Mobility.

Definition at line 47 of file CHBulk.h.

◆ _prop_h

const MaterialProperty<Real>& KKSCHBulk::_prop_h
private

h(eta) material property

Definition at line 60 of file KKSCHBulk.h.

◆ _second_derivative_Fa

const MaterialProperty<Real>& KKSCHBulk::_second_derivative_Fa
private

Second derivative \( d^2Fa/dca^2 \).

Definition at line 63 of file KKSCHBulk.h.

Referenced by computeGradDFDCons().

◆ _second_derivative_Fb

const MaterialProperty<Real>& KKSCHBulk::_second_derivative_Fb
private

Second derivative \( d^2Fb/dcb^2 \).

Definition at line 66 of file KKSCHBulk.h.

◆ _second_derivatives

std::vector<const MaterialProperty<Real> *> KKSCHBulk::_second_derivatives
private

Derivatives of \( dFa/dca \) with respect to all coupled variables.

Definition at line 48 of file KKSCHBulk.h.

Referenced by computeGradDFDCons(), computeQpOffDiagJacobian(), and KKSCHBulk().

◆ _third_derivatives

std::vector<std::vector<const MaterialProperty<Real> *> > KKSCHBulk::_third_derivatives
private

Second derivatives of dFa/dca with respect to all coupled variables.

Definition at line 51 of file KKSCHBulk.h.

Referenced by computeQpOffDiagJacobian(), and KKSCHBulk().

◆ _third_derivatives_ca

std::vector<const MaterialProperty<Real> *> KKSCHBulk::_third_derivatives_ca
private

Derivatives of \( d^2Fa/dca^2 \) with respect to all coupled variables.

Definition at line 54 of file KKSCHBulk.h.

Referenced by computeGradDFDCons(), and KKSCHBulk().

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