SLKKSMultiPhaseConcentration Class Reference

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

#include <SLKKSMultiPhaseConcentration.h>

Inheritance diagram for SLKKSMultiPhaseConcentration:

Public Types
typedef DerivativeMaterialPropertyNameInterface::SymbolName	SymbolName

Public Member Functions
	SLKKSMultiPhaseConcentration (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	precomputeQpResidual ()
virtual Real	precomputeQpJacobian ()
virtual Real	computeQpOffDiagJacobian (unsigned int jvar)

Protected Attributes
int	_l
	Position of the nonlinear variable in the cs list.
std::vector< unsigned int >	_ns
	Number of sublattices per phase.
std::vector< Real >	_a_cs
	Sublattice site numbers.
std::vector< unsigned int >	_phase
	phase index of each cs entry
const VariableValue &	_c
	Physical concentration.
const unsigned int	_c_var
std::vector< const MaterialProperty< Real > * >	_prop_h
	Switching functions for each phase and their derivatives w.r.t. all etas.
std::vector< std::vector< const MaterialProperty< Real > * > >	_prop_dhdeta
const std::size_t	_ncs
	Sublattice concentrations.
std::vector< const VariableValue * >	_cs
const JvarMap &	_cs_map
const std::size_t	_neta
	Order parameters for each phase \( \eta_j \).
std::vector< VariableName >	_eta_names
const JvarMap &	_eta_map
std::vector< MaterialPropertyName >	_h_names
	Switching function names.
const std::size_t	_nh

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

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

D. Schwen et al. https://doi.org/10.1016/j.commatsci.2021.110466

See also

SLKKSPhaseChemicalPotential

Definition at line 20 of file SLKKSMultiPhaseConcentration.h.

Constructor & Destructor Documentation

SLKKSMultiPhaseConcentration()

SLKKSMultiPhaseConcentration::SLKKSMultiPhaseConcentration

(

const InputParameters &

parameters

)

Definition at line 26 of file SLKKSMultiPhaseConcentration.C.

  : SLKKSMultiPhaseBase(parameters), _l(-1), _prop_h(_nh), _prop_dhdeta(_nh)
{
  // Fetch switching functions and their derivatives
  for (std::size_t i = 0; i < _nh; ++i)
  {
    _prop_h[i] = &getMaterialPropertyByName<Real>(_h_names[i]);
    _prop_dhdeta[i].resize(_neta);
 
    // Get derivatives of switching functions w.r.t. order parameters
    for (std::size_t j = 0; j < _neta; ++j)
      _prop_dhdeta[i][j] = &getMaterialPropertyDerivativeByName<Real>(_h_names[i], _eta_names[j]);
  }
 
  // Determine position of the nonlinear variable
  for (std::size_t i = 0; i < _ncs; ++i)
    if (coupled("cs", i) == _var.number())
      _l = i;
 
  // Check to make sure the nonlinear variable is in the cs list
  if (_l < 0)
    paramError("cs", "One of the listed variables must be the kernel variable");
}

Member Function Documentation

computeQpOffDiagJacobian()

Real SLKKSMultiPhaseConcentration::computeQpOffDiagJacobian ( unsigned int  jvar )

protectedvirtual

Definition at line 77 of file SLKKSMultiPhaseConcentration.C.

{
  if (jvar == _c_var)
    return -_test[_i][_qp] * _phi[_j][_qp];
 
  auto csvar = mapJvarToCvar(jvar, _cs_map);
  if (csvar >= 0)
    return _test[_i][_qp] * (*_prop_h[_phase[csvar]])[_qp] * _phi[_j][_qp] * _a_cs[csvar];
 
  auto etavar = mapJvarToCvar(jvar, _eta_map);
  if (etavar >= 0)
  {
    Real sum = 0.0;
    for (unsigned int i = 0; i < _ncs; ++i)
      sum += (*_prop_dhdeta[_phase[i]][etavar])[_qp] * (*_cs[i])[_qp] * _a_cs[i];
 
    return _test[_i][_qp] * sum * _phi[_j][_qp];
  }
 
  return 0.0;
}

precomputeQpJacobian()

Real SLKKSMultiPhaseConcentration::precomputeQpJacobian ( )

protectedvirtual

Definition at line 71 of file SLKKSMultiPhaseConcentration.C.

{
  return (*_prop_h[_phase[_l]])[_qp] * _phi[_j][_qp] * _a_cs[_l];
}

precomputeQpResidual()

Real SLKKSMultiPhaseConcentration::precomputeQpResidual ( )

protectedvirtual

Definition at line 51 of file SLKKSMultiPhaseConcentration.C.

{
  // sum over phases
  std::size_t k = 0;
  Real sum = 0.0;
  for (std::size_t i = 0; i < _nh; ++i)
  {
    // sum sublattice concentrations
    Real csum = 0.0;
    for (unsigned int j = 0; j < _ns[i]; ++j)
    {
      csum += (*_cs[k])[_qp] * _a_cs[k];
      k++;
    }
    sum += (*_prop_h[i])[_qp] * csum;
  }
  return sum - _c[_qp];
}

validParams()

InputParameters SLKKSMultiPhaseConcentration::validParams ( )

static

Definition at line 15 of file SLKKSMultiPhaseConcentration.C.

{
  auto params = SLKKSMultiPhaseBase::validParams();
  params.addClassDescription(
      "SLKKS multi-phase model kernel to enforce $c_i = \\sum_j h_j\\sum_k a_{jk} c_{ijk}$. "
      "The non-linear variable of this kernel is a phase's sublattice concentration");
  params.addRequiredCoupledVar("c", "Physical concentration");
  return params;
}

Member Data Documentation

_a_cs

std::vector<Real> SLKKSMultiPhaseBase::_a_cs

protectedinherited

Sublattice site numbers.

Definition at line 46 of file SLKKSMultiPhaseBase.h.

Referenced by SLKKSMultiACBulkC::computeQpOffDiagJacobian(), computeQpOffDiagJacobian(), SLKKSMultiACBulkC::precomputeQpJacobian(), precomputeQpJacobian(), SLKKSMultiACBulkC::precomputeQpResidual(), precomputeQpResidual(), and SLKKSMultiPhaseBase::SLKKSMultiPhaseBase().

_c

const VariableValue& SLKKSMultiPhaseBase::_c

protectedinherited

Physical concentration.

Definition at line 57 of file SLKKSMultiPhaseBase.h.

Referenced by precomputeQpResidual().

_c_var

const unsigned int SLKKSMultiPhaseBase::_c_var

protectedinherited

Definition at line 58 of file SLKKSMultiPhaseBase.h.

Referenced by computeQpOffDiagJacobian(), and SLKKSMultiACBulkC::SLKKSMultiACBulkC().

_cs

std::vector<const VariableValue *> SLKKSMultiPhaseBase::_cs

protectedinherited

Definition at line 32 of file SLKKSMultiPhaseBase.h.

Referenced by SLKKSMultiACBulkC::computeQpOffDiagJacobian(), computeQpOffDiagJacobian(), SLKKSMultiACBulkC::precomputeQpJacobian(), SLKKSMultiACBulkC::precomputeQpResidual(), precomputeQpResidual(), and SLKKSMultiPhaseBase::SLKKSMultiPhaseBase().

_cs_map

const JvarMap& SLKKSMultiPhaseBase::_cs_map

protectedinherited

Definition at line 33 of file SLKKSMultiPhaseBase.h.

Referenced by SLKKSMultiACBulkC::computeQpOffDiagJacobian(), and computeQpOffDiagJacobian().

_eta_map

const JvarMap& SLKKSMultiPhaseBase::_eta_map

protectedinherited

Definition at line 42 of file SLKKSMultiPhaseBase.h.

Referenced by SLKKSMultiACBulkC::computeQpOffDiagJacobian(), and computeQpOffDiagJacobian().

_eta_names

std::vector<VariableName> SLKKSMultiPhaseBase::_eta_names

protectedinherited

Definition at line 41 of file SLKKSMultiPhaseBase.h.

Referenced by SLKKSMultiACBulkC::SLKKSMultiACBulkC(), SLKKSMultiPhaseBase::SLKKSMultiPhaseBase(), and SLKKSMultiPhaseConcentration().

_h_names

std::vector<MaterialPropertyName> SLKKSMultiPhaseBase::_h_names

protectedinherited

Switching function names.

Definition at line 49 of file SLKKSMultiPhaseBase.h.

Referenced by SLKKSMultiACBulkC::SLKKSMultiACBulkC(), and SLKKSMultiPhaseConcentration().

_l

int SLKKSMultiPhaseConcentration::_l

protected

Position of the nonlinear variable in the cs list.

Definition at line 33 of file SLKKSMultiPhaseConcentration.h.

Referenced by precomputeQpJacobian(), and SLKKSMultiPhaseConcentration().

_ncs

const std::size_t SLKKSMultiPhaseBase::_ncs

protectedinherited

Sublattice concentrations.

Definition at line 31 of file SLKKSMultiPhaseBase.h.

Referenced by computeQpOffDiagJacobian(), SLKKSMultiACBulkC::SLKKSMultiACBulkC(), SLKKSMultiPhaseBase::SLKKSMultiPhaseBase(), and SLKKSMultiPhaseConcentration().

_neta

const std::size_t SLKKSMultiPhaseBase::_neta

protectedinherited

Order parameters for each phase \( \eta_j \).

Definition at line 40 of file SLKKSMultiPhaseBase.h.

Referenced by SLKKSMultiACBulkC::SLKKSMultiACBulkC(), SLKKSMultiPhaseBase::SLKKSMultiPhaseBase(), and SLKKSMultiPhaseConcentration().

_nh

const std::size_t SLKKSMultiPhaseBase::_nh

protectedinherited

Definition at line 50 of file SLKKSMultiPhaseBase.h.

Referenced by SLKKSMultiACBulkC::computeQpOffDiagJacobian(), SLKKSMultiACBulkC::precomputeQpJacobian(), SLKKSMultiACBulkC::precomputeQpResidual(), precomputeQpResidual(), SLKKSMultiACBulkC::SLKKSMultiACBulkC(), SLKKSMultiPhaseBase::SLKKSMultiPhaseBase(), and SLKKSMultiPhaseConcentration().

_ns

std::vector<unsigned int> SLKKSMultiPhaseBase::_ns

protectedinherited

Number of sublattices per phase.

Definition at line 37 of file SLKKSMultiPhaseBase.h.

Referenced by SLKKSMultiACBulkC::computeQpOffDiagJacobian(), SLKKSMultiACBulkC::precomputeQpJacobian(), SLKKSMultiACBulkC::precomputeQpResidual(), precomputeQpResidual(), and SLKKSMultiPhaseBase::SLKKSMultiPhaseBase().

_phase

std::vector<unsigned int> SLKKSMultiPhaseBase::_phase

protectedinherited

phase index of each cs entry

Definition at line 54 of file SLKKSMultiPhaseBase.h.

Referenced by SLKKSMultiACBulkC::computeQpOffDiagJacobian(), computeQpOffDiagJacobian(), precomputeQpJacobian(), SLKKSMultiACBulkC::SLKKSMultiACBulkC(), and SLKKSMultiPhaseBase::SLKKSMultiPhaseBase().

_prop_dhdeta

std::vector<std::vector<const MaterialProperty<Real> *> > SLKKSMultiPhaseConcentration::_prop_dhdeta

protected

Definition at line 37 of file SLKKSMultiPhaseConcentration.h.

Referenced by computeQpOffDiagJacobian(), and SLKKSMultiPhaseConcentration().

_prop_h

std::vector<const MaterialProperty<Real> *> SLKKSMultiPhaseConcentration::_prop_h

protected

Switching functions for each phase and their derivatives w.r.t. all etas.

Definition at line 36 of file SLKKSMultiPhaseConcentration.h.

Referenced by computeQpOffDiagJacobian(), precomputeQpJacobian(), precomputeQpResidual(), and SLKKSMultiPhaseConcentration().

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

• phase_field/include/kernels/SLKKSMultiPhaseConcentration.h
• phase_field/src/kernels/SLKKSMultiPhaseConcentration.C