Calculates mobilities for grand potential model. More...

#include <GrandPotentialTensorMaterial.h>

Inheritance diagram for GrandPotentialTensorMaterial:

Public Types
typedef DerivativeMaterialPropertyNameInterface::SymbolName	SymbolName

Public Member Functions
	GrandPotentialTensorMaterial (const InputParameters &parameters)

virtual void	computeProperties () override

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 Attributes
std::string	_chiD_name
	mobility tensor

MaterialProperty< RealTensorValue > &	_chiD

MaterialProperty< RealTensorValue > *	_dchiDdc

MaterialProperty< RankThreeTensor > *	_dchiDdgradc

std::string	_Ls_name
	grain boundary mobility

MaterialProperty< Real > &	_Ls

std::string	_Lv_name
	void mobility

MaterialProperty< Real > &	_Lv

MaterialProperty< Real > &	_chiDmag
	magnitude of mobility tensor

const MaterialProperty< Real > &	_sigma_s
	surface energy

Real	_int_width
	interface width

const MaterialPropertyName	_chi_name
	susceptibility

const MaterialProperty< Real > &	_chi

const MaterialProperty< Real > &	_dchidc

std::vector< const MaterialProperty< Real > * >	_dchideta

std::vector< MaterialProperty< RealTensorValue > * >	_dchiDdeta

std::vector< MaterialProperty< RankThreeTensor > * >	_dchiDdgradeta

Real	_GBMobility

Real	_GBmob0

const Real	_Q

const VariableValue &	_T

std::vector< const VariableValue * >	_vals

std::vector< const VariableGradient * >	_grad_vals

const VariableValue &	_c

const VariableGradient &	_grad_c

VariableName	_c_name

std::string	_diffusivity_name

MaterialProperty< RealTensorValue > &	_D

MaterialProperty< RealTensorValue > *	_dDdc

MaterialProperty< RankThreeTensor > *	_dDdgradc

Real	_D0

Real	_Em

Real	_s_index

Real	_gb_index

Real	_b_index

Real	_Dbulk

const Real	_kb

const unsigned int	_op_num

std::vector< NonlinearVariableName >	_vals_name
	solid phase order parameters

std::vector< MaterialProperty< RealTensorValue > * >	_dDdeta

std::vector< MaterialProperty< RankThreeTensor > * >	_dDdgradeta

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

Calculates mobilities for grand potential model.

The potential mobility (\chi*D) is a tensor, while the Allen Cahn mobilities for the solid and void phases are scalars.

Definition at line 21 of file GrandPotentialTensorMaterial.h.

Constructor & Destructor Documentation

◆ GrandPotentialTensorMaterial()

GrandPotentialTensorMaterial::GrandPotentialTensorMaterial ( const InputParameters & parameters )

Definition at line 37 of file GrandPotentialTensorMaterial.C.

  : PolycrystalDiffusivityTensorBase(parameters),
    _chiD_name(getParam<std::string>("f_name")),
    _chiD(declareProperty<RealTensorValue>(_chiD_name)),
    _dchiDdc(isCoupledConstant(_c_name)
                 ? nullptr
                 : &declarePropertyDerivative<RealTensorValue>(_chiD_name, _c_name)),
    _dchiDdgradc(isCoupledConstant(_c_name)
                     ? nullptr
                     : &declarePropertyDerivative<RankThreeTensor>(_chiD_name, "gradc")),
    _Ls_name(getParam<std::string>("solid_mobility")),
    _Ls(declareProperty<Real>(_Ls_name)),
    _Lv_name(getParam<std::string>("void_mobility")),
    _Lv(declareProperty<Real>(_Lv_name)),
    _chiDmag(declareProperty<Real>(_chiD_name + "_mag")),
    _sigma_s(getMaterialProperty<Real>("surface_energy")),
    _int_width(getParam<Real>("int_width")),
    _chi_name(getParam<MaterialPropertyName>("chi")),
    _chi(getMaterialProperty<Real>(_chi_name)),
    _dchidc(getMaterialPropertyDerivative<Real>(_chi_name, _c_name)),
    _dchideta(_op_num),
    _dchiDdeta(_op_num),
    _dchiDdgradeta(_op_num),
    _GBMobility(getParam<Real>("GBMobility")),
    _GBmob0(getParam<Real>("GBmob0")),
    _Q(getParam<Real>("Q"))
{
  for (unsigned int i = 0; i < _op_num; ++i)
  {
    _dchideta[i] = &getMaterialPropertyDerivative<Real>(_chi_name, _vals_name[i]);
    if (!isCoupledConstant(_vals_name[i]))
      _dchiDdeta[i] = &declarePropertyDerivative<RealTensorValue>(_chiD_name, _vals_name[i]);
    if (!isCoupledConstant(_vals_name[i]))
      _dchiDdgradeta[i] =
          &declarePropertyDerivative<RankThreeTensor>(_chiD_name, ("grad" + _vals_name[i]));
  }
}

Member Function Documentation

◆ computeProperties()

void GrandPotentialTensorMaterial::computeProperties ( )

overridevirtual

Reimplemented from PolycrystalDiffusivityTensorBase.

Definition at line 76 of file GrandPotentialTensorMaterial.C.

{
  PolycrystalDiffusivityTensorBase::computeProperties();
 
  for (_qp = 0; _qp < _qrule->n_points(); ++_qp)
  {
    _chiD[_qp] = _D[_qp] * _chi[_qp];
    if (_dchiDdc)
      (*_dchiDdc)[_qp] = (*_dDdc)[_qp] * _chi[_qp] + _D[_qp] * _dchidc[_qp];
    if (_dchiDdgradc)
      (*_dchiDdgradc)[_qp] = (*_dDdgradc)[_qp] * _chi[_qp];
    for (unsigned int i = 0; i < _op_num; ++i)
    {
      if (_dchiDdeta[i])
        (*_dchiDdeta[i])[_qp] = _D[_qp] * (*_dchideta[i])[_qp] + (*_dDdeta[i])[_qp] * _chi[_qp];
      if (_dchiDdgradeta[i])
        (*_dchiDdgradeta[i])[_qp] = (*_dDdgradeta[i])[_qp] * _chi[_qp];
    }
 
    _chiDmag[_qp] = _chiD[_qp].norm();
 
    Real GBmob;
    if (_GBMobility < 0)
      GBmob = _GBmob0 * std::exp(-_Q / (_kb * _T[_qp]));
    else
      GBmob = _GBMobility;
 
    _Ls[_qp] = 4.0 / 3.0 * GBmob / _int_width;
    _Lv[_qp] = 40 * _Ls[_qp];
  }
}

◆ validParams()

InputParameters GrandPotentialTensorMaterial::validParams ( )

static

Definition at line 18 of file GrandPotentialTensorMaterial.C.

{
  InputParameters params = PolycrystalDiffusivityTensorBase::validParams();
  params.addClassDescription("Diffusion and mobility parameters for grand potential model "
                             "governing equations. Uses a tensor diffusivity");
  params.addRequiredParam<Real>("int_width",
                                "The interfacial width in the lengthscale of the problem");
  params.addParam<MaterialPropertyName>("chi", "Coefficient to multiply by D");
  params.addParam<Real>("GBmob0", 0.0, "Grain boundary mobility prefactor");
  params.addRequiredParam<Real>("Q", "Grain boundary migration activation energy in eV");
  params.addParam<Real>(
      "GBMobility", -1, "GB mobility input that overrides the temperature dependent calculation");
  params.addParam<std::string>("f_name", "chiD", "Name for the mobility material property");
  params.addRequiredParam<MaterialPropertyName>("surface_energy", "Surface energy of material");
  params.addParam<std::string>("solid_mobility", "L", "Name of grain mobility for solid phase");
  params.addParam<std::string>("void_mobility", "Lv", "Name of void phase mobility");
  return params;
}