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SLKKSMultiPhaseConcentration Class Reference

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

#include <SLKKSMultiPhaseConcentration.h>

Inheritance diagram for SLKKSMultiPhaseConcentration:
[legend]

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. More...
 
std::vector< unsigned int > _ns
 Number of sublattices per phase. More...
 
std::vector< Real > _a_cs
 Sublattice site numbers. More...
 
std::vector< unsigned int > _phase
 phase index of each cs entry More...
 
const VariableValue & _c
 Physical concentration. More...
 
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. More...
 
std::vector< std::vector< const MaterialProperty< Real > * > > _prop_dhdeta
 
const std::size_t _ncs
 Sublattice concentrations. More...
 
std::vector< const VariableValue * > _cs
 
const JvarMap & _cs_map
 
const std::size_t _neta
 Order parameters for each phase \( \eta_j \). More...
 
std::vector< VariableName > _eta_names
 
const JvarMap & _eta_map
 
std::vector< MaterialPropertyName > _h_names
 Switching function names. More...
 
const std::size_t _nh
 

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.

27  : SLKKSMultiPhaseBase(parameters), _l(-1), _prop_h(_nh), _prop_dhdeta(_nh)
28 {
29  // Fetch switching functions and their derivatives
30  for (std::size_t i = 0; i < _nh; ++i)
31  {
32  _prop_h[i] = &getMaterialPropertyByName<Real>(_h_names[i]);
33  _prop_dhdeta[i].resize(_neta);
34 
35  // Get derivatives of switching functions w.r.t. order parameters
36  for (std::size_t j = 0; j < _neta; ++j)
37  _prop_dhdeta[i][j] = &getMaterialPropertyDerivativeByName<Real>(_h_names[i], _eta_names[j]);
38  }
39 
40  // Determine position of the nonlinear variable
41  for (std::size_t i = 0; i < _ncs; ++i)
42  if (coupled("cs", i) == _var.number())
43  _l = i;
44 
45  // Check to make sure the nonlinear variable is in the cs list
46  if (_l < 0)
47  paramError("cs", "One of the listed variables must be the kernel variable");
48 }
SLKKSMultiPhaseBase::_neta
const std::size_t _neta
Order parameters for each phase .
Definition: SLKKSMultiPhaseBase.h:40
SLKKSMultiPhaseConcentration::_l
int _l
Position of the nonlinear variable in the cs list.
Definition: SLKKSMultiPhaseConcentration.h:33
SLKKSMultiPhaseConcentration::_prop_dhdeta
std::vector< std::vector< const MaterialProperty< Real > * > > _prop_dhdeta
Definition: SLKKSMultiPhaseConcentration.h:37
SLKKSMultiPhaseBase::_ncs
const std::size_t _ncs
Sublattice concentrations.
Definition: SLKKSMultiPhaseBase.h:31
SLKKSMultiPhaseBase::_eta_names
std::vector< VariableName > _eta_names
Definition: SLKKSMultiPhaseBase.h:41
SLKKSMultiPhaseBase::_nh
const std::size_t _nh
Definition: SLKKSMultiPhaseBase.h:50
SLKKSMultiPhaseConcentration::_prop_h
std::vector< const MaterialProperty< Real > * > _prop_h
Switching functions for each phase and their derivatives w.r.t. all etas.
Definition: SLKKSMultiPhaseConcentration.h:36
EM::j
static const std::complex< double > j(0, 1)
Complex number "j" (also known as "i")
SLKKSMultiPhaseBase::SLKKSMultiPhaseBase
SLKKSMultiPhaseBase(const InputParameters &parameters)
Definition: SLKKSMultiPhaseBase.C:26
SLKKSMultiPhaseBase::_h_names
std::vector< MaterialPropertyName > _h_names
Switching function names.
Definition: SLKKSMultiPhaseBase.h:49

Member Function Documentation

◆ computeQpOffDiagJacobian()

Real SLKKSMultiPhaseConcentration::computeQpOffDiagJacobian ( unsigned int  jvar)
protectedvirtual

Definition at line 77 of file SLKKSMultiPhaseConcentration.C.

78 {
79  if (jvar == _c_var)
80  return -_test[_i][_qp] * _phi[_j][_qp];
81 
82  auto csvar = mapJvarToCvar(jvar, _cs_map);
83  if (csvar >= 0)
84  return _test[_i][_qp] * (*_prop_h[_phase[csvar]])[_qp] * _phi[_j][_qp] * _a_cs[csvar];
85 
86  auto etavar = mapJvarToCvar(jvar, _eta_map);
87  if (etavar >= 0)
88  {
89  Real sum = 0.0;
90  for (unsigned int i = 0; i < _ncs; ++i)
91  sum += (*_prop_dhdeta[_phase[i]][etavar])[_qp] * (*_cs[i])[_qp] * _a_cs[i];
92 
93  return _test[_i][_qp] * sum * _phi[_j][_qp];
94  }
95 
96  return 0.0;
97 }
SLKKSMultiPhaseBase::_cs_map
const JvarMap & _cs_map
Definition: SLKKSMultiPhaseBase.h:33
SLKKSMultiPhaseConcentration::_prop_dhdeta
std::vector< std::vector< const MaterialProperty< Real > * > > _prop_dhdeta
Definition: SLKKSMultiPhaseConcentration.h:37
SLKKSMultiPhaseBase::_ncs
const std::size_t _ncs
Sublattice concentrations.
Definition: SLKKSMultiPhaseBase.h:31
SLKKSMultiPhaseBase::_c_var
const unsigned int _c_var
Definition: SLKKSMultiPhaseBase.h:58
SLKKSMultiPhaseBase::_cs
std::vector< const VariableValue * > _cs
Definition: SLKKSMultiPhaseBase.h:32
SLKKSMultiPhaseBase::_a_cs
std::vector< Real > _a_cs
Sublattice site numbers.
Definition: SLKKSMultiPhaseBase.h:46
SLKKSMultiPhaseBase::_eta_map
const JvarMap & _eta_map
Definition: SLKKSMultiPhaseBase.h:42
Real
DIE A HORRIBLE DEATH HERE typedef LIBMESH_DEFAULT_SCALAR_TYPE Real
SLKKSMultiPhaseConcentration::_prop_h
std::vector< const MaterialProperty< Real > * > _prop_h
Switching functions for each phase and their derivatives w.r.t. all etas.
Definition: SLKKSMultiPhaseConcentration.h:36
SLKKSMultiPhaseBase::_phase
std::vector< unsigned int > _phase
phase index of each cs entry
Definition: SLKKSMultiPhaseBase.h:54

◆ precomputeQpJacobian()

Real SLKKSMultiPhaseConcentration::precomputeQpJacobian ( )
protectedvirtual

Definition at line 71 of file SLKKSMultiPhaseConcentration.C.

72 {
73  return (*_prop_h[_phase[_l]])[_qp] * _phi[_j][_qp] * _a_cs[_l];
74 }
SLKKSMultiPhaseConcentration::_l
int _l
Position of the nonlinear variable in the cs list.
Definition: SLKKSMultiPhaseConcentration.h:33
SLKKSMultiPhaseBase::_a_cs
std::vector< Real > _a_cs
Sublattice site numbers.
Definition: SLKKSMultiPhaseBase.h:46
SLKKSMultiPhaseConcentration::_prop_h
std::vector< const MaterialProperty< Real > * > _prop_h
Switching functions for each phase and their derivatives w.r.t. all etas.
Definition: SLKKSMultiPhaseConcentration.h:36
SLKKSMultiPhaseBase::_phase
std::vector< unsigned int > _phase
phase index of each cs entry
Definition: SLKKSMultiPhaseBase.h:54

◆ precomputeQpResidual()

Real SLKKSMultiPhaseConcentration::precomputeQpResidual ( )
protectedvirtual

Definition at line 51 of file SLKKSMultiPhaseConcentration.C.

52 {
53  // sum over phases
54  std::size_t k = 0;
55  Real sum = 0.0;
56  for (std::size_t i = 0; i < _nh; ++i)
57  {
58  // sum sublattice concentrations
59  Real csum = 0.0;
60  for (unsigned int j = 0; j < _ns[i]; ++j)
61  {
62  csum += (*_cs[k])[_qp] * _a_cs[k];
63  k++;
64  }
65  sum += (*_prop_h[i])[_qp] * csum;
66  }
67  return sum - _c[_qp];
68 }
SLKKSMultiPhaseBase::_cs
std::vector< const VariableValue * > _cs
Definition: SLKKSMultiPhaseBase.h:32
SLKKSMultiPhaseBase::_c
const VariableValue & _c
Physical concentration.
Definition: SLKKSMultiPhaseBase.h:57
SLKKSMultiPhaseBase::_a_cs
std::vector< Real > _a_cs
Sublattice site numbers.
Definition: SLKKSMultiPhaseBase.h:46
Real
DIE A HORRIBLE DEATH HERE typedef LIBMESH_DEFAULT_SCALAR_TYPE Real
SLKKSMultiPhaseBase::_nh
const std::size_t _nh
Definition: SLKKSMultiPhaseBase.h:50
SLKKSMultiPhaseConcentration::_prop_h
std::vector< const MaterialProperty< Real > * > _prop_h
Switching functions for each phase and their derivatives w.r.t. all etas.
Definition: SLKKSMultiPhaseConcentration.h:36
EM::j
static const std::complex< double > j(0, 1)
Complex number "j" (also known as "i")
SLKKSMultiPhaseBase::_ns
std::vector< unsigned int > _ns
Number of sublattices per phase.
Definition: SLKKSMultiPhaseBase.h:37
NS::k
static const std::string k
Definition: NS.h:130

◆ validParams()

InputParameters SLKKSMultiPhaseConcentration::validParams ( )
static

Definition at line 15 of file SLKKSMultiPhaseConcentration.C.

16 {
17  auto params = SLKKSMultiPhaseBase::validParams();
18  params.addClassDescription(
19  "SLKKS multi-phase model kernel to enforce $c_i = \\sum_j h_j\\sum_k a_{jk} c_{ijk}$. "
20  "The non-linear variable of this kernel is a phase's sublattice concentration");
21  params.addRequiredCoupledVar("c", "Physical concentration");
22  return params;
23 }
SLKKSMultiPhaseBase::validParams
static InputParameters validParams()
Definition: SLKKSMultiPhaseBase.C:13

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

◆ _cs_map

const JvarMap& SLKKSMultiPhaseBase::_cs_map
protectedinherited

Definition at line 33 of file SLKKSMultiPhaseBase.h.

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

◆ _eta_map

const JvarMap& SLKKSMultiPhaseBase::_eta_map
protectedinherited

Definition at line 42 of file SLKKSMultiPhaseBase.h.

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