In the KKS split form for the term \( \frac{\partial F_1}{\partial c_1} - \mu \). More...

#include <NestedKKSSplitCHCRes.h>

Inheritance diagram for NestedKKSSplitCHCRes:

Public Types
typedef DerivativeMaterialPropertyNameInterface::SymbolName	SymbolName

Public Member Functions
	NestedKKSSplitCHCRes (const InputParameters &parameters)

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 Member Functions
virtual Real	computeQpResidual () override

virtual Real	computeQpJacobian () override

virtual Real	computeQpOffDiagJacobian (unsigned int jvar) override

Protected Attributes
const std::vector< VariableName >	_eta_names
	Phase parameters.

const unsigned int	_num_j
	Number of phase parameters.

const JvarMap &	_eta_map

const std::vector< VariableName >	_c_names
	Global concentrations.

const std::vector< MaterialPropertyName >	_ca_names
	Phase concentration of the first phase in _eta_names.

const MaterialPropertyName	_Fa_name
	Free energy.

std::vector< const MaterialProperty< Real > * >	_dFadca
	Derivative of the free energy function \( \frac d{dc_1} F_1 \).

std::vector< const MaterialProperty< Real > * >	_d2Fadcadba
	Second derivative of the free energy function \( \frac {d^2}{dc_1 db_1} F_1 \).

std::vector< std::vector< const MaterialProperty< Real > * > >	_dcadb
	Derivative of the phase concentrations wrt global concentrations \( \frac d{db} c_1 \).

std::vector< std::vector< const MaterialProperty< Real > * > >	_dcadetaj
	Derivative of the phase concentrations wrt phase parameter \( \frac d{d{eta}} c_1 \).

std::vector< const MaterialProperty< Real > * >	_d2Fadcadarg
	Second derivative of the free energy function wrt phase concentration and a coupled variable.


const unsigned int	_num_c
	Number of global concentrations.

const JvarMap &	_c_map

int	_o


const unsigned int	_w_var
	Chemical potential.

const VariableValue &	_w

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
FEProblemBase &	_dmi_fe_problem

Detailed Description

In the KKS split form for the term \( \frac{\partial F_1}{\partial c_1} - \mu \).

This takes advantage of the KKS identity

\( \frac{\partial F}{\partial c} = \frac{\partial F_i}{\partial c_i} \)

The non-linear variable for this Kernel is the concentration 'c'. The user picks one phase free energy \( F_1 \) (f_base) and its corresponding phase concentration \( c_1 \)

Definition at line 26 of file NestedKKSSplitCHCRes.h.

Constructor & Destructor Documentation

◆ NestedKKSSplitCHCRes()

NestedKKSSplitCHCRes::NestedKKSSplitCHCRes ( const InputParameters & parameters )

Definition at line 32 of file NestedKKSSplitCHCRes.C.

  : DerivativeMaterialInterface<JvarMapKernelInterface<Kernel>>(parameters),
    _eta_names(coupledNames("all_etas")),
    _num_j(_eta_names.size()),
    _eta_map(getParameterJvarMap("all_etas")),
    _c_names(coupledNames("global_cs")),
    _num_c(coupledComponents("global_cs")),
    _c_map(getParameterJvarMap("global_cs")),
    _o(-1),
    _w_var(coupled("w")),
    _w(coupledValue("w")),
    _ca_names(getParam<std::vector<MaterialPropertyName>>("ca_names")),
    _Fa_name(getParam<MaterialPropertyName>("fa_name")),
    _dFadca(_num_c),
    _d2Fadcadba(_num_c),
    _dcadb(_num_c),
    _dcadetaj(_num_c),
    _d2Fadcadarg(_n_args)
 
{
  for (const auto i : make_range(_num_c))
  {
    // Set _o to the position of the nonlinear variable in the list of global_cs
    if (coupled("global_cs", i) == _var.number())
      _o = i;
  }
 
  // _dcideta and _dcidb are computed in KKSPhaseConcentrationDerivatives
  for (const auto m : make_range(_num_c))
  {
    _dcadetaj[m].resize(_num_j);
    for (const auto n : make_range(_num_j))
      _dcadetaj[m][n] = &getMaterialPropertyDerivative<Real>(_ca_names[m], _eta_names[n]);
 
    _dcadb[m].resize(_num_c);
    for (const auto n : make_range(_num_c))
      _dcadb[m][n] = &getMaterialPropertyDerivative<Real>(_ca_names[m], _c_names[n]);
  }
 
  // _dFaca and _d2Fadcadba are computed in KKSPhaseConcentrationMaterial
  for (const auto m : make_range(_num_c))
  {
    _dFadca[m] = &getMaterialPropertyDerivative<Real>(_Fa_name, _ca_names[m]);
    _d2Fadcadba[m] = &getMaterialPropertyDerivative<Real>(_Fa_name, _ca_names[_o], _ca_names[m]);
  }
 
  // _d2Fadcadarg is computed in KKSPhaseConcentrationMaterial
  for (const auto m : make_range(_n_args))
    _d2Fadcadarg[m] = &getMaterialPropertyDerivative<Real>(_Fa_name, _ca_names[_o], m);
}

Member Function Documentation

◆ computeQpJacobian()

Real NestedKKSSplitCHCRes::computeQpJacobian ( )

overrideprotectedvirtual

Definition at line 90 of file NestedKKSSplitCHCRes.C.

{
  Real sum = 0.0;
 
  for (const auto m : make_range(_num_c))
    sum += (*_d2Fadcadba[m])[_qp] * (*_dcadb[m][_o])[_qp];
 
  return sum * _phi[_j][_qp] * _test[_i][_qp];
}

◆ computeQpOffDiagJacobian()

Real NestedKKSSplitCHCRes::computeQpOffDiagJacobian ( unsigned int jvar )

overrideprotectedvirtual

Definition at line 101 of file NestedKKSSplitCHCRes.C.

{
  Real sum = 0.0;
 
  // treat w variable explicitly
  if (jvar == _w_var)
    return -_phi[_j][_qp] * _test[_i][_qp];
 
  // if b is the coupled variable
  auto compvar = mapJvarToCvar(jvar, _c_map);
  if (compvar >= 0)
  {
    for (const auto m : make_range(_num_c))
      sum += (*_d2Fadcadba[m])[_qp] * (*_dcadb[m][compvar])[_qp];
 
    return sum * _phi[_j][_qp] * _test[_i][_qp];
  }
 
  // if order parameters are the coupled variables
  auto etavar = mapJvarToCvar(jvar, _eta_map);
  if (etavar >= 0)
  {
    for (const auto m : make_range(_num_c))
      sum += (*_d2Fadcadba[m])[_qp] * (*_dcadetaj[m][etavar])[_qp];
 
    return sum * _phi[_j][_qp] * _test[_i][_qp];
  }
 
  // for all other vars get the coupled variable jvar is referring to
  const unsigned int cvar = mapJvarToCvar(jvar);
  return (*_d2Fadcadarg[cvar])[_qp] * _phi[_j][_qp] * _test[_i][_qp];
}

◆ computeQpResidual()

Real NestedKKSSplitCHCRes::computeQpResidual ( )

overrideprotectedvirtual

Definition at line 84 of file NestedKKSSplitCHCRes.C.

{
  return ((*_dFadca[_o])[_qp] - _w[_qp]) * _test[_i][_qp];
}

◆ validParams()

InputParameters NestedKKSSplitCHCRes::validParams ( )

static

Definition at line 15 of file NestedKKSSplitCHCRes.C.

{
  InputParameters params = JvarMapKernelInterface<Kernel>::validParams();
  params.addClassDescription(
      "KKS model kernel for the split Bulk Cahn-Hilliard term. This kernel operates on the "
      "physical concentration 'c' as the non-linear variable.");
  params.addCoupledVar("all_etas", "Phase parameters for all phases.");
  params.addRequiredCoupledVar("global_cs", "The interpolated concentrations c, b, etc.");
  params.addCoupledVar("w", "Chemical potential non-linear helper variable for the split solve.");
  params.addParam<std::vector<MaterialPropertyName>>(
      "ca_names",
      "Phase concentrations in the frist phase of all_etas. The order must match global_cs, for "
      "example, c1, b1, etc.");
  params.addParam<MaterialPropertyName>("fa_name", "Free energy of the first phase in all_etas.");
  return params;
}

Member Data Documentation

◆ _c_map

const JvarMap& NestedKKSSplitCHCRes::_c_map

protected

Definition at line 50 of file NestedKKSSplitCHCRes.h.

Referenced by computeQpOffDiagJacobian().

◆ _c_names

const std::vector<VariableName> NestedKKSSplitCHCRes::_c_names

protected

Global concentrations.

Definition at line 46 of file NestedKKSSplitCHCRes.h.

Referenced by NestedKKSSplitCHCRes().

◆ _ca_names

const std::vector<MaterialPropertyName> NestedKKSSplitCHCRes::_ca_names

protected

Phase concentration of the first phase in _eta_names.

Definition at line 60 of file NestedKKSSplitCHCRes.h.

Referenced by NestedKKSSplitCHCRes().

◆ _d2Fadcadarg

std::vector<const MaterialProperty<Real> *> NestedKKSSplitCHCRes::_d2Fadcadarg

protected

Second derivative of the free energy function wrt phase concentration and a coupled variable.

Definition at line 78 of file NestedKKSSplitCHCRes.h.

Referenced by computeQpOffDiagJacobian(), and NestedKKSSplitCHCRes().

◆ _d2Fadcadba

std::vector<const MaterialProperty<Real> *> NestedKKSSplitCHCRes::_d2Fadcadba

protected

Second derivative of the free energy function \( \frac {d^2}{dc_1 db_1} F_1 \).

Definition at line 69 of file NestedKKSSplitCHCRes.h.

Referenced by computeQpJacobian(), computeQpOffDiagJacobian(), and NestedKKSSplitCHCRes().

◆ _dcadb

std::vector<std::vector<const MaterialProperty<Real> *> > NestedKKSSplitCHCRes::_dcadb

protected

Derivative of the phase concentrations wrt global concentrations \( \frac d{db} c_1 \).

Definition at line 72 of file NestedKKSSplitCHCRes.h.

Referenced by computeQpJacobian(), computeQpOffDiagJacobian(), and NestedKKSSplitCHCRes().

◆ _dcadetaj

std::vector<std::vector<const MaterialProperty<Real> *> > NestedKKSSplitCHCRes::_dcadetaj

protected

Derivative of the phase concentrations wrt phase parameter \( \frac d{d{eta}} c_1 \).

Definition at line 75 of file NestedKKSSplitCHCRes.h.

Referenced by computeQpOffDiagJacobian(), and NestedKKSSplitCHCRes().

◆ _dFadca

std::vector<const MaterialProperty<Real> *> NestedKKSSplitCHCRes::_dFadca

protected

Derivative of the free energy function \( \frac d{dc_1} F_1 \).

Definition at line 66 of file NestedKKSSplitCHCRes.h.

Referenced by computeQpResidual(), and NestedKKSSplitCHCRes().

◆ _eta_map

const JvarMap& NestedKKSSplitCHCRes::_eta_map

protected

Definition at line 43 of file NestedKKSSplitCHCRes.h.

Referenced by computeQpOffDiagJacobian().

◆ _eta_names

const std::vector<VariableName> NestedKKSSplitCHCRes::_eta_names

protected

Phase parameters.

Definition at line 39 of file NestedKKSSplitCHCRes.h.

Referenced by NestedKKSSplitCHCRes().

◆ _Fa_name

const MaterialPropertyName NestedKKSSplitCHCRes::_Fa_name

protected

Free energy.

Definition at line 63 of file NestedKKSSplitCHCRes.h.

Referenced by NestedKKSSplitCHCRes().

◆ _num_c

const unsigned int NestedKKSSplitCHCRes::_num_c

protected

Number of global concentrations.

Definition at line 49 of file NestedKKSSplitCHCRes.h.

Referenced by computeQpJacobian(), computeQpOffDiagJacobian(), and NestedKKSSplitCHCRes().

◆ _num_j

const unsigned int NestedKKSSplitCHCRes::_num_j

protected

Number of phase parameters.

Definition at line 42 of file NestedKKSSplitCHCRes.h.

Referenced by NestedKKSSplitCHCRes().

◆ _o

int NestedKKSSplitCHCRes::_o

protected

Definition at line 51 of file NestedKKSSplitCHCRes.h.

Referenced by computeQpJacobian(), computeQpResidual(), and NestedKKSSplitCHCRes().

◆ _w

const VariableValue& NestedKKSSplitCHCRes::_w

protected

Definition at line 56 of file NestedKKSSplitCHCRes.h.

Referenced by computeQpResidual().

◆ _w_var

const unsigned int NestedKKSSplitCHCRes::_w_var

protected

Chemical potential.

Definition at line 55 of file NestedKKSSplitCHCRes.h.

Referenced by computeQpOffDiagJacobian().

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

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

Public Types

Public Member Functions

Static Public Member Functions

Protected Member Functions

Protected Attributes

Private Member Functions

Private Attributes

Detailed Description

Constructor & Destructor Documentation

◆ NestedKKSSplitCHCRes()

Member Function Documentation

◆ computeQpJacobian()

◆ computeQpOffDiagJacobian()

◆ computeQpResidual()

◆ validParams()

Member Data Documentation

◆ _c_map

◆ _c_names

◆ _ca_names

◆ _d2Fadcadarg

◆ _d2Fadcadba

◆ _dcadb

◆ _dcadetaj

◆ _dFadca

◆ _eta_map

◆ _eta_names

◆ _Fa_name

◆ _num_c

◆ _num_j

◆ _o

◆ _w

◆ _w_var