GrandPotentialInterface Class Reference

Calculate Grand Potential interface parameters for a specified interfacial free energy and width. More...

#include <GrandPotentialInterface.h>

Inheritance diagram for GrandPotentialInterface:

Public Member Functions
	GrandPotentialInterface (const InputParameters &parameters)

Protected Member Functions
virtual void	computeQpProperties () override

Protected Attributes
const std::vector< Real >	_sigma
	list of interfacial free energies More...
const Real	_width
	Interface width for the interface with the median interfacial free energy. More...
const unsigned int	_n_pair
	number of interface pairs More...
std::vector< MaterialPropertyName >	_gamma_name
	gamma material property names More...
std::vector< Real >	_gamma
	Calculated gamma parameter values. More...
Real	_kappa
Real	_mu
std::vector< MaterialProperty< Real > * >	_gamma_prop
	Material properties for all interface pairs. More...
MaterialProperty< Real > &	_kappa_prop
MaterialProperty< Real > &	_mu_prop

Detailed Description

Calculate Grand Potential interface parameters for a specified interfacial free energy and width.

Definition at line 22 of file GrandPotentialInterface.h.

Constructor & Destructor Documentation

GrandPotentialInterface()

GrandPotentialInterface::GrandPotentialInterface

(

const InputParameters &

parameters

)

Definition at line 39 of file GrandPotentialInterface.C.

  : Material(parameters),
    _sigma(getParam<std::vector<Real>>("sigma")),
    _width(getParam<Real>("width")),
    _n_pair(_sigma.size()),
    _gamma(_n_pair),
    _gamma_name(getParam<std::vector<MaterialPropertyName>>("gamma_names")),
    _gamma_prop(_n_pair),
    _kappa_prop(declareProperty<Real>(getParam<MaterialPropertyName>("kappa_name"))),
    _mu_prop(declareProperty<Real>(getParam<MaterialPropertyName>("mu_name")))
{
  // error check parameters
  if (_n_pair == 0)
    paramError("sigma", "Specify at least one interfacial energy");
 
  if (_gamma_name.size() != 0 && _gamma_name.size() != _n_pair)
    paramError("gamma_names",
               "Specify either as many entries are sigma values or none at all for auto-naming the "
               "gamma material properties.");
 
  // automatic names for the gamma properties
  if (_gamma_name.size() == 0)
    for (unsigned int i = 0; i < _n_pair; i++)
      _gamma_name[i] = "gamma" + Moose::stringify(i);
 
  // declare gamma material properties
  for (unsigned int i = 0; i < _n_pair; i++)
    _gamma_prop[i] = &declareProperty<Real>(_gamma_name[i]);
 
  // determine median interfacial free energy (or use explicit user choice)
  unsigned int median;
  if (isParamValid("sigma_index"))
    median = getParam<unsigned int>("sigma_index");
  else
  {
    std::vector<size_t> indices;
    Moose::indirectSort(_sigma.begin(), _sigma.end(), indices);
    median = indices[(indices.size() - 1) / 2];
  }
 
  // set the median gamma to 1.5 and use analytical expression for kappa and mu (m)
  _gamma[median] = 1.5;
  _kappa = 3.0 / 4.0 * _sigma[median] * _width;
  _mu = 6.0 * _sigma[median] / _width;
 
  // set all other gammas
  for (unsigned int i = 0; i < _n_pair; ++i)
  {
    // skip the already calculated median value
    if (i == median)
      continue;
 
    const Real g = _sigma[i] / std::sqrt(_mu * _kappa);
 
    // estimate for gamma from polynomial expansion
    Real gamma = 1.0 / (-5.288 * Utility::pow<8>(g) - 0.09364 * Utility::pow<6>(g) +
                        9.965 * Utility::pow<4>(g) - 8.183 * Utility::pow<2>(g) + 2.007);
 
    _gamma[i] = gamma;
  }
}

Member Function Documentation

computeQpProperties()

void GrandPotentialInterface::computeQpProperties ( )

overrideprotectedvirtual

Definition at line 102 of file GrandPotentialInterface.C.

{
  _kappa_prop[_qp] = _kappa;
  _mu_prop[_qp] = _mu;
  for (unsigned int i = 0; i < _n_pair; ++i)
    (*_gamma_prop[i])[_qp] = _gamma[i];
}

Member Data Documentation

_gamma

std::vector<Real> GrandPotentialInterface::_gamma

protected

Calculated gamma parameter values.

Definition at line 40 of file GrandPotentialInterface.h.

Referenced by computeQpProperties(), and GrandPotentialInterface().

_gamma_name

std::vector<MaterialPropertyName> GrandPotentialInterface::_gamma_name

protected

gamma material property names

Definition at line 46 of file GrandPotentialInterface.h.

Referenced by GrandPotentialInterface().

_gamma_prop

std::vector<MaterialProperty<Real> *> GrandPotentialInterface::_gamma_prop

protected

Material properties for all interface pairs.

Definition at line 49 of file GrandPotentialInterface.h.

Referenced by computeQpProperties(), and GrandPotentialInterface().

_kappa

Real GrandPotentialInterface::_kappa

protected

Definition at line 41 of file GrandPotentialInterface.h.

Referenced by computeQpProperties(), and GrandPotentialInterface().

_kappa_prop

MaterialProperty<Real>& GrandPotentialInterface::_kappa_prop

protected

Definition at line 50 of file GrandPotentialInterface.h.

Referenced by computeQpProperties().

_mu

Real GrandPotentialInterface::_mu

protected

Definition at line 42 of file GrandPotentialInterface.h.

Referenced by computeQpProperties(), and GrandPotentialInterface().

_mu_prop

MaterialProperty<Real>& GrandPotentialInterface::_mu_prop

protected

Definition at line 51 of file GrandPotentialInterface.h.

Referenced by computeQpProperties().

_n_pair

const unsigned int GrandPotentialInterface::_n_pair

protected

number of interface pairs

Definition at line 37 of file GrandPotentialInterface.h.

Referenced by computeQpProperties(), and GrandPotentialInterface().

_sigma

const std::vector<Real> GrandPotentialInterface::_sigma

protected

list of interfacial free energies

Definition at line 31 of file GrandPotentialInterface.h.

Referenced by GrandPotentialInterface().

_width

const Real GrandPotentialInterface::_width

protected

Interface width for the interface with the median interfacial free energy.

Definition at line 34 of file GrandPotentialInterface.h.

Referenced by GrandPotentialInterface().

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

• phase_field/include/materials/GrandPotentialInterface.h
• phase_field/src/materials/GrandPotentialInterface.C