Enforce sum of phase concentrations to be the real concentration. More...

#include <SLKKSPhaseConcentration.h>

Inheritance diagram for SLKKSPhaseConcentration:

Public Types
typedef DerivativeMaterialPropertyNameInterface::SymbolName	SymbolName

Public Member Functions
	SLKKSPhaseConcentration (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 ()

virtual Real	computeQpJacobian ()

virtual Real	computeQpOffDiagJacobian (unsigned int jvar)

Protected Attributes
Real	_a_u
	sublattice fraction for the sublattice B concentration represented by the kernel variable

const MaterialProperty< Real > &	_prop_h
	Switching function \( h(\eta) \).

const MaterialProperty< Real > &	_prop_dh
	Derivative of the switching function \( \frac d{d\eta} h(\eta) \).


unsigned int	_nca
	sublattice A variables

std::vector< const VariableValue * >	_ca

std::vector< Real >	_a_ca

const JvarMap &	_ca_map


unsigned int	_ncb
	sublattice B variables

std::vector< const VariableValue * >	_cb

std::vector< Real >	_a_cb

const JvarMap &	_cb_map


const VariableValue &	_c
	global concentration variable

unsigned int	_c_var


const VariableValue &	_eta
	phase order parameter

unsigned int	_eta_var

Private Member Functions
void	computeSums ()
	update the _casum and _cbsum members

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


Real	_casum
	updated by computeSums

Real	_cbsum

Detailed Description

Enforce sum of phase concentrations to be the real concentration.

\( c=h(\eta)c_a+\left(1-h(\eta)\right)c_b\)

The non-linear variable for this Kernel is the concentration \( c_b \), while \( c_a \) and \( c \) are supplied as coupled variables. (compare this to KKSPhaseChemicalPotential, where the non-linear variable is the other phase concentration \( c_a \)!) D. Schwen et al. https://doi.org/10.1016/j.commatsci.2021.110466

See also: KKSPhaseChemicalPotential; KKSHEtaPolyMaterial

Definition at line 30 of file SLKKSPhaseConcentration.h.

Constructor & Destructor Documentation

◆ SLKKSPhaseConcentration()

SLKKSPhaseConcentration::SLKKSPhaseConcentration ( const InputParameters & parameters )

Definition at line 37 of file SLKKSPhaseConcentration.C.

  : DerivativeMaterialInterface<JvarMapKernelInterface<Kernel>>(parameters),
    _nca(coupledComponents("ca")),
    _ca(_nca),
    _a_ca(getParam<std::vector<Real>>("aa")),
    _ca_map(getParameterJvarMap("ca")),
    _ncb(coupledComponents("cb")),
    _cb(_ncb),
    _a_cb(getParam<std::vector<Real>>("ab")),
    _cb_map(getParameterJvarMap("cb")),
    _a_u(getParam<Real>("a")),
    _c(coupledValue("c")),
    _c_var(coupled("c")),
    _eta(coupledValue("eta")),
    _eta_var(coupled("eta")),
    _prop_h(getMaterialProperty<Real>("h_name")),
    _prop_dh(getMaterialPropertyDerivative<Real>("h_name", coupledName("eta", 0)))
{
  if (_a_ca.size() != _nca)
    paramError("aa", "Specify one sublattice site fraction per sublattice concentration variable");
  if (_a_cb.size() != _ncb)
    paramError("ab", "Specify one sublattice site fraction per sublattice concentration variable");
 
  // check and re-normalize sublattice A site fractions
  Real sum = 0.0;
  for (std::size_t i = 0; i < _nca; ++i)
    sum += _a_ca[i];
  if (sum <= 0.0)
    paramError("aa", "The sum of the aa values must be greater than zero");
  for (std::size_t i = 0; i < _nca; ++i)
    _a_ca[i] /= sum;
 
  // check and re-normalize sublattice B site fractions
  sum = _a_u;
  for (std::size_t i = 0; i < _ncb; ++i)
    sum += _a_cb[i];
  if (sum <= 0.0)
    paramError("ab", "The sum of the ab values and k must be greater than zero");
  for (std::size_t i = 0; i < _ncb; ++i)
    _a_cb[i] /= sum;
  _a_u /= sum;
 
  // fetch coupled concentrations
  for (std::size_t i = 0; i < _nca; ++i)
    _ca[i] = &coupledValue("ca", i);
  for (std::size_t i = 0; i < _ncb; ++i)
    _cb[i] = &coupledValue("cb", i);
}

Member Function Documentation

◆ computeQpJacobian()

Real SLKKSPhaseConcentration::computeQpJacobian ( )

protectedvirtual

Definition at line 94 of file SLKKSPhaseConcentration.C.

{
  return _test[_i][_qp] * _prop_h[_qp] * _phi[_j][_qp] * _a_u;
}

◆ computeQpOffDiagJacobian()

Real SLKKSPhaseConcentration::computeQpOffDiagJacobian ( unsigned int jvar )

protectedvirtual

Definition at line 100 of file SLKKSPhaseConcentration.C.

{
  if (jvar == _c_var)
    return -_test[_i][_qp] * _phi[_j][_qp];
 
  if (jvar == _eta_var)
  {
    computeSums();
    return _test[_i][_qp] * (_cbsum - _casum) * _prop_dh[_qp] * _phi[_j][_qp];
  }
 
  auto cavar = mapJvarToCvar(jvar, _ca_map);
  if (cavar >= 0)
    return _test[_i][_qp] * (1.0 - _prop_h[_qp]) * _phi[_j][_qp] * _a_ca[cavar];
 
  auto cbvar = mapJvarToCvar(jvar, _cb_map);
  if (cbvar >= 0)
    return _test[_i][_qp] * _prop_h[_qp] * _phi[_j][_qp] * _a_cb[cbvar];
 
  return 0.0;
}

◆ computeQpResidual()

Real SLKKSPhaseConcentration::computeQpResidual ( )

protectedvirtual

Definition at line 87 of file SLKKSPhaseConcentration.C.

{
  computeSums();
  return _test[_i][_qp] * ((1.0 - _prop_h[_qp]) * _casum + _prop_h[_qp] * _cbsum - _c[_qp]);
}

◆ computeSums()

void SLKKSPhaseConcentration::computeSums ( )

private

update the _casum and _cbsum members

Definition at line 123 of file SLKKSPhaseConcentration.C.

{
  _casum = 0.0;
  for (std::size_t i = 0; i < _nca; ++i)
    _casum += (*_ca[i])[_qp] * _a_ca[i];
 
  _cbsum = _u[_qp] * _a_u;
  for (std::size_t i = 0; i < _ncb; ++i)
    _cbsum += (*_cb[i])[_qp] * _a_cb[i];
}

Referenced by computeQpOffDiagJacobian(), and computeQpResidual().

◆ validParams()

InputParameters SLKKSPhaseConcentration::validParams ( )

static

Definition at line 15 of file SLKKSPhaseConcentration.C.

{
  auto params = Kernel::validParams();
  params.addClassDescription(
      "Sublattice KKS model kernel to enforce the decomposition of concentration into "
      "phase and sublattice concentrations The non-linear variable of this kernel is a sublattice "
      "concentration of phase b.");
  params.addRequiredCoupledVar("ca", "Phase a sublattice concentrations");
  params.addRequiredParam<std::vector<Real>>("aa", "Phase a sublattice site fraction");
  params.addRequiredCoupledVar(
      "cb", "Phase b sublattice concentrations (except for the kernel variable)");
  params.addRequiredParam<std::vector<Real>>("ab", "Phase b sublattice site fraction");
  params.addRequiredParam<Real>("a",
                                "Sublattice site fraction for the kernel variable (in phase b)");
  params.addRequiredCoupledVar("c", "Global concentration");
  params.addRequiredCoupledVar("eta", "Phase a/b order parameter");
  params.addParam<MaterialPropertyName>(
      "h_name", "h", "Base name for the switching function h(eta)");
  return params;
}

Member Data Documentation

◆ _a_ca

std::vector<Real> SLKKSPhaseConcentration::_a_ca

protected

Definition at line 45 of file SLKKSPhaseConcentration.h.

Referenced by computeQpOffDiagJacobian(), computeSums(), and SLKKSPhaseConcentration().

◆ _a_cb

std::vector<Real> SLKKSPhaseConcentration::_a_cb

protected

Definition at line 52 of file SLKKSPhaseConcentration.h.

Referenced by computeQpOffDiagJacobian(), computeSums(), and SLKKSPhaseConcentration().

◆ _a_u

Real SLKKSPhaseConcentration::_a_u

protected

sublattice fraction for the sublattice B concentration represented by the kernel variable

Definition at line 57 of file SLKKSPhaseConcentration.h.

Referenced by computeQpJacobian(), computeSums(), and SLKKSPhaseConcentration().

◆ _c

const VariableValue& SLKKSPhaseConcentration::_c

protected

global concentration variable

Definition at line 60 of file SLKKSPhaseConcentration.h.

Referenced by computeQpResidual().

◆ _c_var

unsigned int SLKKSPhaseConcentration::_c_var

protected

Definition at line 61 of file SLKKSPhaseConcentration.h.

Referenced by computeQpOffDiagJacobian().

◆ _ca

std::vector<const VariableValue *> SLKKSPhaseConcentration::_ca

protected

Definition at line 44 of file SLKKSPhaseConcentration.h.

Referenced by computeSums(), and SLKKSPhaseConcentration().

◆ _ca_map

const JvarMap& SLKKSPhaseConcentration::_ca_map

protected

Definition at line 46 of file SLKKSPhaseConcentration.h.

Referenced by computeQpOffDiagJacobian().

◆ _casum

Real SLKKSPhaseConcentration::_casum

private

updated by computeSums

Definition at line 80 of file SLKKSPhaseConcentration.h.

Referenced by computeQpOffDiagJacobian(), computeQpResidual(), and computeSums().

◆ _cb

std::vector<const VariableValue *> SLKKSPhaseConcentration::_cb

protected

Definition at line 51 of file SLKKSPhaseConcentration.h.

Referenced by computeSums(), and SLKKSPhaseConcentration().

◆ _cb_map

const JvarMap& SLKKSPhaseConcentration::_cb_map

protected

Definition at line 53 of file SLKKSPhaseConcentration.h.

Referenced by computeQpOffDiagJacobian().

◆ _cbsum

Real SLKKSPhaseConcentration::_cbsum

private

Definition at line 81 of file SLKKSPhaseConcentration.h.

Referenced by computeQpOffDiagJacobian(), computeQpResidual(), and computeSums().

◆ _eta

const VariableValue& SLKKSPhaseConcentration::_eta

protected

phase order parameter

Definition at line 65 of file SLKKSPhaseConcentration.h.

◆ _eta_var

unsigned int SLKKSPhaseConcentration::_eta_var

protected

Definition at line 66 of file SLKKSPhaseConcentration.h.

Referenced by computeQpOffDiagJacobian().

◆ _nca

unsigned int SLKKSPhaseConcentration::_nca

protected

sublattice A variables

Definition at line 43 of file SLKKSPhaseConcentration.h.

Referenced by computeSums(), and SLKKSPhaseConcentration().

◆ _ncb

unsigned int SLKKSPhaseConcentration::_ncb

protected

sublattice B variables

Definition at line 50 of file SLKKSPhaseConcentration.h.

Referenced by computeSums(), and SLKKSPhaseConcentration().

◆ _prop_dh

const MaterialProperty<Real>& SLKKSPhaseConcentration::_prop_dh

protected

Derivative of the switching function \( \frac d{d\eta} h(\eta) \).

Definition at line 73 of file SLKKSPhaseConcentration.h.

Referenced by computeQpOffDiagJacobian().

◆ _prop_h

const MaterialProperty<Real>& SLKKSPhaseConcentration::_prop_h

protected

Switching function \( h(\eta) \).

Definition at line 70 of file SLKKSPhaseConcentration.h.

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

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

phase_field/include/kernels/SLKKSPhaseConcentration.h
phase_field/src/kernels/SLKKSPhaseConcentration.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

◆ SLKKSPhaseConcentration()

Member Function Documentation

◆ computeQpJacobian()

◆ computeQpOffDiagJacobian()

◆ computeQpResidual()

◆ computeSums()

◆ validParams()

Member Data Documentation

◆ _a_ca

◆ _a_cb

◆ _a_u

◆ _c

◆ _c_var

◆ _ca

◆ _ca_map

◆ _casum

◆ _cb

◆ _cb_map

◆ _cbsum

◆ _eta

◆ _eta_var

◆ _nca

◆ _ncb

◆ _prop_dh

◆ _prop_h