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

#include <NestedKKSMultiSplitCHCRes.h>

Inheritance diagram for NestedKKSMultiSplitCHCRes:

Public Types
typedef DerivativeMaterialPropertyNameInterface::SymbolName	SymbolName

Public Member Functions
	NestedKKSMultiSplitCHCRes (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 std::vector< VariableName >	_c_names
	Global concentrations.

const std::vector< MaterialPropertyName >	_c1_names
	Phase concentration of the first phase in _eta_names.

const MaterialPropertyName	_F1_name
	Free energy.

std::vector< const MaterialProperty< Real > * >	_dF1dc1
	Derivative of the free energy function \( \frac {d}{dc_1} F_1 \).

std::vector< const MaterialProperty< Real > * >	_d2F1dc1db1
	Second derivative of the free energy function \( \frac {d^2}{dc_1 db_1} F_1 \).

std::vector< std::vector< const MaterialProperty< Real > * > >	_dc1db
	Derivative of the phase concentrations wrt global concentrations \( \frac {d}{db} c_1 \).

std::vector< std::vector< const MaterialProperty< Real > * > >	_dc1detaj
	Derivative of the phase concentrations wrt phase parameter \( \frac {d}{d{eta}} c_1 \).

std::vector< const MaterialProperty< Real > * >	_d2F1dc1darg
	Second derivative of the free energy function wrt phase concentration and a coupled variable.


const unsigned int	_num_j
	Number of phase parameters.

const JvarMap &	_eta_map


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 27 of file NestedKKSMultiSplitCHCRes.h.

Constructor & Destructor Documentation

◆ NestedKKSMultiSplitCHCRes()

NestedKKSMultiSplitCHCRes::NestedKKSMultiSplitCHCRes ( const InputParameters & parameters )

Definition at line 32 of file NestedKKSMultiSplitCHCRes.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")),
    _c1_names(getParam<std::vector<MaterialPropertyName>>("c1_names")),
    _F1_name(getParam<MaterialPropertyName>("F1_name")),
    _dF1dc1(_num_c),
    _d2F1dc1db1(_num_c),
    _dc1db(_num_c),
    _dc1detaj(_num_c),
    _d2F1dc1darg(_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))
  {
    _dc1detaj[m].resize(_num_j);
    for (const auto n : make_range(_num_j))
      _dc1detaj[m][n] = &getMaterialPropertyDerivative<Real>(_c1_names[m], _eta_names[n]);
 
    _dc1db[m].resize(_num_c);
    for (const auto n : make_range(_num_c))
      _dc1db[m][n] = &getMaterialPropertyDerivative<Real>(_c1_names[m], _c_names[n]);
  }
 
  // _dF1dc1 and _d2F1dc1db1 are computed in KKSPhaseConcentrationMaterial
  for (const auto m : make_range(_num_c))
  {
    _dF1dc1[m] = &getMaterialPropertyDerivative<Real>(_F1_name, _c1_names[m]);
    _d2F1dc1db1[m] = &getMaterialPropertyDerivative<Real>(_F1_name, _c1_names[_o], _c1_names[m]);
  }
 
  // _d2F1dc1darg is computed in KKSPhaseConcentrationMaterial
  for (const auto m : make_range(_n_args))
    _d2F1dc1darg[m] = &getMaterialPropertyDerivative<Real>(_F1_name, _c1_names[_o], m);
}

Member Function Documentation

◆ computeQpJacobian()

Real NestedKKSMultiSplitCHCRes::computeQpJacobian ( )

overrideprotectedvirtual

Definition at line 90 of file NestedKKSMultiSplitCHCRes.C.

{
  Real sum = 0.0;
 
  for (const auto m : make_range(_num_c))
    sum += (*_d2F1dc1db1[m])[_qp] * (*_dc1db[m][_o])[_qp];
 
  return sum * _phi[_j][_qp] * _test[_i][_qp];
}

◆ computeQpOffDiagJacobian()

Real NestedKKSMultiSplitCHCRes::computeQpOffDiagJacobian ( unsigned int jvar )

overrideprotectedvirtual

Definition at line 101 of file NestedKKSMultiSplitCHCRes.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 += (*_d2F1dc1db1[m])[_qp] * (*_dc1db[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 += (*_d2F1dc1db1[m])[_qp] * (*_dc1detaj[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 (*_d2F1dc1darg[cvar])[_qp] * _phi[_j][_qp] * _test[_i][_qp];
}

◆ computeQpResidual()

Real NestedKKSMultiSplitCHCRes::computeQpResidual ( )

overrideprotectedvirtual

Definition at line 84 of file NestedKKSMultiSplitCHCRes.C.

{
  return ((*_dF1dc1[_o])[_qp] - _w[_qp]) * _test[_i][_qp];
}

◆ validParams()

InputParameters NestedKKSMultiSplitCHCRes::validParams ( )

static

Definition at line 15 of file NestedKKSMultiSplitCHCRes.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>>(
      "c1_names",
      "Phase concentrations in the frist phase of all_etas. The order must match global_cs, for "
      "example, c1, b1, etc.");
  params.addParam<MaterialPropertyName>("F1_name", "Free energy of the first phase in all_etas.");
  return params;
}