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

#include <KKSCHBulk.h>

Inheritance diagram for KKSCHBulk:

Public Member Functions
	KKSCHBulk (const InputParameters &parameters)

virtual void	initialSetup ()

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: \( \nabla u \frac {dF(u)}{du} \phi_j + F(u) \nabla \phi_j \). More...

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. More...

const MaterialProperty< Real > &	_dMdc
	Mobility derivative w.r.t. concentration. More...

std::vector< const MaterialProperty< Real > * >	_dMdarg
	Mobility derivative w.r.t coupled variables. More...

Private Attributes
unsigned int	_nvar
	Number of coupled variables. More...

std::vector< const MaterialProperty< Real > * >	_second_derivatives
	Derivatives of \( dFa/dca \) with respect to all coupled variables. More...

std::vector< std::vector< const MaterialProperty< Real > * > >	_third_derivatives
	Second derivatives of dFa/dca with respect to all coupled variables. More...

std::vector< const MaterialProperty< Real > * >	_third_derivatives_ca
	Derivatives of \( d^2Fa/dca^2 \) with respect to all coupled variables. More...

std::vector< const VariableGradient * >	_grad_args
	Gradients for all coupled variables. More...

const MaterialProperty< Real > &	_prop_h
	h(eta) material property More...

const MaterialProperty< Real > &	_second_derivative_Fa
	Second derivative \( d^2Fa/dca^2 \). More...

const MaterialProperty< Real > &	_second_derivative_Fb
	Second derivative \( d^2Fb/dcb^2 \). More...


unsigned int	_ca_var

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 32 of file KKSCHBulk.h.

Member Enumeration Documentation

◆ PFFunctionType

enum CHBulk::PFFunctionType

protectedinherited

Definition at line 38 of file CHBulk.h.

   {
     Jacobian,
     Residual
   };

Constructor & Destructor Documentation

◆ KKSCHBulk()

KKSCHBulk::KKSCHBulk ( const InputParameters & parameters )

Definition at line 40 of file KKSCHBulk.C.

   : CHBulk<Real>(parameters),
     // number of coupled variables (ca, args_a[])
     _nvar(_coupled_moose_vars.size()),
     _ca_var(coupled("ca")),
     _ca_name(getVar("ca", 0)->name()),
     _cb_var(coupled("cb")),
     _cb_name(getVar("cb", 0)->name()),
     _prop_h(getMaterialProperty<Real>("h_name")),
     _second_derivative_Fa(getMaterialPropertyDerivative<Real>("fa_name", _ca_name, _ca_name)),
     _second_derivative_Fb(getMaterialPropertyDerivative<Real>("fb_name", _cb_name, _cb_name))
 {
   // reserve space for derivatives
   _second_derivatives.resize(_nvar);
   _third_derivatives.resize(_nvar);
   _third_derivatives_ca.resize(_nvar);
   _grad_args.resize(_nvar);
  
   // Iterate over all coupled variables
   for (unsigned int i = 0; i < _nvar; ++i)
   {
     MooseVariable * cvar = _coupled_standard_moose_vars[i];
  
     // get the second derivative material property (TODO:warn)
     _second_derivatives[i] =
         &getMaterialPropertyDerivative<Real>("fa_name", _ca_name, cvar->name());
  
     // get the third derivative material properties
     _third_derivatives[i].resize(_nvar);
     for (unsigned int j = 0; j < _nvar; ++j)
       _third_derivatives[i][j] = &getMaterialPropertyDerivative<Real>(
           "fa_name", _ca_name, cvar->name(), _coupled_moose_vars[j]->name());
  
     // third derivative for the on-diagonal jacobian
     _third_derivatives_ca[i] =
         &getMaterialPropertyDerivative<Real>("fa_name", _ca_name, cvar->name(), _ca_name);
  
     // get the gradient
     _grad_args[i] = &(cvar->gradSln());
   }
 }

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 90 of file KKSCHBulk.C.

 {
   RealGradient res = 0.0;
  
   switch (type)
   {
     case Residual:
       for (unsigned int i = 0; i < _nvar; ++i)
         res += (*_second_derivatives[i])[_qp] * (*_grad_args[i])[_qp];
  
       return res;
  
     case Jacobian:
       // the non linear variable is c, but the free energy only contains the
       // phase concentrations. Equation (23) in the KKS paper gives the chain-
       // rule derivative dca/dc
       /* Real dcadc = _second_derivative_Fb[_qp]
                   / (  (1.0 - _prop_h[_qp]) * _second_derivative_Fb[_qp]
                      + _prop_h[_qp]         * _second_derivative_Fa[_qp]); */
       // The (1-h)*X_b, h*X_a pairing is opposite to what the KKSPhaseConcentration kernel does!
  
       res = _second_derivative_Fa[_qp] * _grad_phi[_j][_qp];
  
       for (unsigned int i = 0; i < _nvar; ++i)
         res += (*_third_derivatives_ca[i])[_qp] * (*_grad_args[i])[_qp] * _phi[_j][_qp];
  
       // convergence improves if we return 0.0 here
       return 0.0; // res * dcadc;
   }
  
   mooseError("Invalid type passed in");
 }

◆ computeGradDFDCons() [2/2]

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

protectedpure virtualinherited

Implemented in CahnHilliardBase< Real >.

◆ computeQpOffDiagJacobian()

Real KKSCHBulk::computeQpOffDiagJacobian ( unsigned int jvar )

protectedvirtual

Reimplemented from CHBulk< Real >.

Definition at line 124 of file KKSCHBulk.C.

 {
   // get the coupled variable jvar is referring to
   const unsigned int cvar = mapJvarToCvar(jvar);
  
   RealGradient res = (*_second_derivatives[cvar])[_qp] * _grad_phi[_j][_qp];
  
   for (unsigned int i = 0; i < _nvar; ++i)
     res += (*_third_derivatives[i][cvar])[_qp] * (*_grad_args[i])[_qp] * _phi[_j][_qp];
  
   // keeping this term seems to improve the solution.
   return res * _grad_test[_i][_qp];
 }

◆ initialSetup()

void CHBulk< Real >::initialSetup ( )

virtualinherited

Reimplemented in CahnHilliardBase< Real >.

Definition at line 86 of file CHBulk.h.

 {
   validateNonlinearCoupling<Real>("mob_name");
 }

◆ precomputeQpJacobian()

RealGradient CHBulk< Real >::precomputeQpJacobian ( )

protectedvirtualinherited

Definition at line 100 of file CHBulk.h.

 {
   RealGradient grad_value = _M[_qp] * computeGradDFDCons(Jacobian) +
                             _dMdc[_qp] * _phi[_j][_qp] * computeGradDFDCons(Residual);
  
   return grad_value;
 }

◆ precomputeQpResidual()

RealGradient CHBulk< Real >::precomputeQpResidual ( )

protectedvirtualinherited

Definition at line 93 of file CHBulk.h.

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

◆ validParams()

InputParameters CHBulk< Real >::validParams ( )

staticinherited

Definition at line 75 of file CHBulk.h.

 {
   InputParameters params = ::validParams<KernelGrad>();
   params.addClassDescription("Cahn-Hilliard base Kernel");
   params.addParam<MaterialPropertyName>("mob_name", "M", "The mobility used with the kernel");
   params.addCoupledVar("args", "Vector of arguments of the mobility");
   return params;
 }

Member Data Documentation

◆ _ca_name

const VariableName KKSCHBulk::_ca_name

private

Definition at line 48 of file KKSCHBulk.h.

Referenced by KKSCHBulk().

◆ _ca_var

unsigned int KKSCHBulk::_ca_var

private

Phase concnetration variables

Definition at line 47 of file KKSCHBulk.h.

◆ _cb_name

const VariableName KKSCHBulk::_cb_name

private

Definition at line 50 of file KKSCHBulk.h.

◆ _cb_var

unsigned int KKSCHBulk::_cb_var

private

Definition at line 49 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 63 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.

◆ _nvar

unsigned int KKSCHBulk::_nvar

private

Number of coupled variables.

Definition at line 43 of file KKSCHBulk.h.

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

◆ _prop_h

const MaterialProperty<Real>& KKSCHBulk::_prop_h

private

h(eta) material property

Definition at line 66 of file KKSCHBulk.h.

◆ _second_derivative_Fa

const MaterialProperty<Real>& KKSCHBulk::_second_derivative_Fa

private

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

Definition at line 69 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 72 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 54 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 57 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 60 of file KKSCHBulk.h.

Referenced by computeGradDFDCons(), and KKSCHBulk().

The documentation for this class was generated from the following files:

phase_field/include/kernels/KKSCHBulk.h
phase_field/src/kernels/KKSCHBulk.C

Public Member Functions

Static Public Member Functions

Protected Types

Protected Member Functions

Protected Attributes

Private Attributes

Detailed Description

Member Enumeration Documentation

◆ PFFunctionType

Constructor & Destructor Documentation

◆ KKSCHBulk()

Member Function Documentation

◆ computeGradDFDCons() [1/2]

◆ computeGradDFDCons() [2/2]

◆ computeQpOffDiagJacobian()

◆ initialSetup()

◆ precomputeQpJacobian()

◆ precomputeQpResidual()

◆ validParams()

Member Data Documentation

◆ _ca_name

◆ _ca_var

◆ _cb_name

◆ _cb_var

◆ _dMdarg

◆ _dMdc

◆ _grad_args

◆ _M

◆ _nvar

◆ _prop_h

◆ _second_derivative_Fa

◆ _second_derivative_Fb

◆ _second_derivatives

◆ _third_derivatives

◆ _third_derivatives_ca