The Material class represents a collection of isotope objects. More...

#include "pinspec/src/Material.h"

Public Member Functions
	Material (char *material_name)
	Material constructor. More...

virtual	~Material ()
	Mterial destructor. More...

char *	getMaterialName ()
	Returns the material name. More...

int	getUid () const
	Returns the unique ID auto-generated for the material. More...

float	getMaterialNumberDensity ()
	Returns the total number density for all isotopes within the material. More...

Isotope *	getIsotope (char *isotope)
	This method takes in a character array specifier for an isotope's name and returns a pointer to the Isotope. More...

float	getDensity ()
	Returns the material's density. More...

float	getIsotopeDensity (Isotope *isotope, densityUnit units=NUM_CM3)
	This method takes in a character array specifier for an isotope's name and returns a float for the Isotope's density. More...

float	getIsotopeDensity (char *isotope, densityUnit units=NUM_CM3)
	This method takes in a character array specifier for an isotope's name and returns a float for the Isotope's density. More...

bool	containsIsotope (Isotope *isotope)
	This method checks if the material contains a given isotope. More...

float	getBucklingSquared ()
	Returns the geometric buckling squared for the geometry. More...

float	getVolume ()
	Returns the total volume of all regions containing this material. More...

int	getNumXSEnergies (char *xs_type)
	Returns the total number of energies for which cross-sections are defined for one of the material's cross-section types. More...

float	getTotalMacroXS (float energy)
	Returns the total macroscopic cross-section for the material at some energy (eV). More...

float	getTotalMacroXS (int energy_index)
	Returns the total macroscopic cross-section for the material at some index into the uniform lethargy grid of cross-section data. More...

float	getTotalMicroXS (float energy)
	Returns the total microscopic cross-section for the material at some energy (eV). More...

float	getTotalMicroXS (int energy_index)
	Returns the total microscopic cross-section for the material at some index into the uniform lethargy grid of cross-section data. More...

float	getElasticMacroXS (float energy)
	Returns the total macroscopic elastic scattering cross-section for the material at some energy (eV). More...

float	getElasticMacroXS (int energy_index)
	Returns the elastic macroscopic cross-section for the material at some index into the uniform lethargy grid of cross-section data. More...

float	getElasticMicroXS (float energy)
	Returns the total macroscopic elastic scattering cross-section for the material at some energy (eV). More...

float	getElasticMicroXS (int energy_index)
	Returns the elastic microscopic cross-section for the material at some index into the uniform lethargy grid of cross-section data. More...

float	getAbsorptionMacroXS (float energy)
	Returns the total macroscopic absorption cross-section for the material at some energy. More...

float	getAbsorptionMacroXS (int energy_index)
	Returns the absorption macroscopic cross-section for the material at some index into the uniform lethargy grid of cross-section data. More...

float	getAbsorptionMicroXS (float energy)
	Returns the total microscopic absorption cross-section for the material at some energy (eV). More...

float	getAbsorptionMicroXS (int energy_index)
	Returns the absorption microscopic cross-section for the material at some index into the uniform lethargy grid of cross-section data. More...

float	getCaptureMacroXS (float energy)
	Returns the total macroscopic capture cross-section within this material at some energy (eV). More...

float	getCaptureMacroXS (int energy_index)
	Returns the capture macroscopic cross-section for the material at some index into the uniform lethargy grid of cross-section data. More...

float	getCaptureMicroXS (float energy)
	Returns the total microscopic capture cross-section for the material at some energy (eV) More...

float	getCaptureMicroXS (int energy_index)
	Returns the capture microscopic cross-section for the material at some index into the uniform lethargy grid of cross-section data. More...

float	getFissionMacroXS (float energy)
	Returns the total macroscopic fission cross-section for the material at some energy (eV). More...

float	getFissionMacroXS (int energy_index)
	Returns the fission macroscopic cross-section within the Material at some index into the uniform lethargy grid of cross-section data. More...

float	getFissionMicroXS (float energy)
	Returns the total microscopic fission cross-section for the Material at some energy (eV). More...

float	getFissionMicroXS (int energy_index)
	Returns the fission microscopic cross-section for the material at some index into the uniform lethargy grid of cross-section data. More...

float	getTransportMicroXS (float energy)
	Returns the total microscopic transport cross-section for the material at some energy (eV) More...

float	getTransportMicroXS (int energy_index)
	Returns the transport microscopic cross-section for the material at some index into the uniform lethargy grid. More...

float	getTransportMacroXS (float energy)
	Returns the total macroscopic transport cross-section for the material at some energy (eV) More...

float	getTransportMacroXS (int energy_index)
	Returns the transport macroscopic cross-section for the material at some index into the uniform lethargy grid. More...

void	retrieveXSEnergies (float energies, int num_xs, char xs_type)
	Fills an array with cross-section energy values. More...

void	retrieveXS (float xs, int num_xs, char xs_type)
	Fills an array with macroscopic cross-section values. More...

void	setMaterialName (char *name)
	Sets the name for the material. More...

void	setDensity (float density, char *unit)
	Sets this material's density. More...

void	setNumberDensity (float number_density, const char *unit)
	Sets the material's number density. More...

void	setAtomicMass (float atomic_mass)
	Sets the material's total atomic mass. More...

void	setBucklingSquared (float buckling_squared)
	Sets the squared geomtric buckling for the geometry in which this material resides. More...

void	incrementVolume (float volume)
	Increments the volume occupied by this material in the geometry. More...

void	addIsotope (Isotope *isotope, float atomic_ratio)
	Adds a new isotope to this material with a given atomic ratio. More...

Material *	clone ()
	This method clones a given material object by executing a deep copy of all of the material's class attributes and giving them to a new material class object. More...

float	sampleDistanceTraveled (neutron *neutron)
	Samples a random distance to collision within this material. More...

void	sampleIsotope (neutron *neutron)
	Samples an isotope for a collision. More...

void	collideNeutron (neutron *neutron)
	Samples an isotope and a reaction rate for a neutron. More...

Private Attributes
char *	_material_name

int	_uid

float	_material_density

float	_material_number_density

float	_material_atomic_mass

float	_buckling_squared

float	_volume

std::map< char , std::pair < float, Isotope > >	_isotopes

std::map< Isotope *, float >	_isotopes_AO

densityUnit	_density_unit

Static Private Attributes
static int	_n = 1

Detailed Description

The Material class represents a collection of isotope objects.

The Material class represents a collection of isotope objects and samples isotopes for collisions with neutrons.

Constructor & Destructor Documentation

Material::Material ( char * material_name )

Material constructor.

Sets the user-defined name along with default values for the material density (0), material number density (0), material atomic mass (1), buckling (0) and volume (0).

Material::~Material ( )

virtual

Mterial destructor.

Material does not need to delete its isotopes since SWIG handles garbage collection.

Member Function Documentation

void Material::addIsotope	(	Isotope *	isotope,
		float	atomic_ratio
	)

Adds a new isotope to this material with a given atomic ratio.

The atomic ratio is the number of atoms of this isotope per equivalent molecule of the material. For example, for a material of UO2 one would add uranium and oxygen isotopes as follows:

uo2.addIsotope(u235, 1.)

uo2.addIsotope(o16, 2.)

Parameters

isotope	a pointer to the isotope
atomic_ratio	the atomic ratio of the isotope within the material

Material * Material::clone ( )

This method clones a given material object by executing a deep copy of all of the material's class attributes and giving them to a new material class object.

Returns: a pointer to the new cloned material class object

void Material::collideNeutron ( neutron * neutron )

Samples an isotope and a reaction rate for a neutron.

For a given energy, this method calls sampleIsotope() to sample an isotope, then samples a reaction type in that isotope by using Isotope::collideNeutron() method. After this method returns, the neutron's outgoing collision energy has been updated and the neutron has been killed if it was absorbed.

Parameters

neutron the neutron to collide within the material

bool Material::containsIsotope ( Isotope * isotope )

This method checks if the material contains a given isotope.

Parameters

isotope a pointer to the isotope of interest

Returns: true if the material contains the isotope; otherwise false

float Material::getAbsorptionMacroXS ( float energy )

Returns the total macroscopic absorption cross-section for the material at some energy.

Parameters

energy the energy of interest (eV)

Returns: the total macroscopic absorption cross-section $(cm^{-1})$

Parameters

energy energy of interest (eV)

Returns: the total macroscopic absorption cross-section (cm^-1)

float Material::getAbsorptionMacroXS ( int energy_index )

Returns the absorption macroscopic cross-section for the material at some index into the uniform lethargy grid of cross-section data.

Parameters

energy_index the index into the uniform lethargy grid

Returns: the absorption macroscopic cross-section $(cm^{-1})$

float Material::getAbsorptionMicroXS ( float energy )

Returns the total microscopic absorption cross-section for the material at some energy (eV).

Parameters

energy the energy of interest (eV)

Returns: the total microscopic absorption cross-section

float Material::getAbsorptionMicroXS ( int energy_index )

Returns the absorption microscopic cross-section for the material at some index into the uniform lethargy grid of cross-section data.

Parameters

energy_index the index into the uniform lethargy grid.

Returns: the absorption microscopic cross-section

float Material::getBucklingSquared ( )

Returns the geometric buckling squared for the geometry.

Returns: the geometric buckling squared

float Material::getCaptureMacroXS ( float energy )

Returns the total macroscopic capture cross-section within this material at some energy (eV).

Parameters

energy the energy of interest (eV)

Returns: the total macroscopic capture cross-section $(cm^{-1})$

Parameters

energy energy of interest (eV)

Returns: the total macroscopic capture cross-section (cm^-1)

float Material::getCaptureMacroXS ( int energy_index )

Returns the capture macroscopic cross-section for the material at some index into the uniform lethargy grid of cross-section data.

Parameters

energy_index the index into the uniform lethargy grid.

Returns: the capture macroscopic cross-section $(cm^{-1})$

float Material::getCaptureMicroXS ( float energy )

Returns the total microscopic capture cross-section for the material at some energy (eV)

Parameters

energy the energy of interest (eV)

Returns: the total microscopic capture cross-section

float Material::getCaptureMicroXS ( int energy_index )

Returns the capture microscopic cross-section for the material at some index into the uniform lethargy grid of cross-section data.

Parameters

energy_index the inex into the uniform lethargy grid

Returns: the capture microscopic cross-section

float Material::getDensity ( )

Returns the material's density.

Returns: the material's density

float Material::getElasticMacroXS ( float energy )

Returns the total macroscopic elastic scattering cross-section for the material at some energy (eV).

Parameters

energy the energy of interest (eV)

Returns: the total macroscopic elastic scattering cross-section $(cm^{-1})$

Parameters

energy energy of interest (eV)

Returns: the total elastic macroscopic scattering cross-section (cm^-1)

float Material::getElasticMacroXS ( int energy_index )

Returns the elastic macroscopic cross-section for the material at some index into the uniform lethargy grid of cross-section data.

Parameters

energy_index the index into the uniform lethargy grid

Returns: the elastic macroscopic cross-section $(cm^{-1})$

float Material::getElasticMicroXS ( float energy )

Returns the total macroscopic elastic scattering cross-section for the material at some energy (eV).

Parameters

energy the energy of interest (eV)

Returns: the total elastic microscopic scattering cross-section

float Material::getElasticMicroXS ( int energy_index )

Returns the elastic microscopic cross-section for the material at some index into the uniform lethargy grid of cross-section data.

Parameters

energy_index the index into the uniform lethargy grid

Returns: the elastic microscopic cross-section

float Material::getFissionMacroXS ( float energy )

Returns the total macroscopic fission cross-section for the material at some energy (eV).

Parameters

energy the energy of interest (eV)

Returns: the total macroscopic fission cross-section $(cm^{-1})$

Parameters

energy energy of interest (eV)

Returns: the total macroscopic fission cross-section (cm^-1)

float Material::getFissionMacroXS ( int energy_index )

Returns the fission macroscopic cross-section within the Material at some index into the uniform lethargy grid of cross-section data.

Parameters

energy_index index into the uniform lethargy grid

Returns: the fission macroscopic cross-section $(cm^{-1})$

float Material::getFissionMicroXS ( float energy )

Returns the total microscopic fission cross-section for the Material at some energy (eV).

Parameters

energy the energy of interest (eV)

Returns: the total microscopic fission cross-section

float Material::getFissionMicroXS ( int energy_index )

Returns the fission microscopic cross-section for the material at some index into the uniform lethargy grid of cross-section data.

Parameters

energy_index the index into the uniform lethargy grid

Returns: the fission microscopic cross-section

Isotope * Material::getIsotope ( char * isotope )

This method takes in a character array specifier for an isotope's name and returns a pointer to the Isotope.

An example of how this would be called in python is as follows:

h1 = material.getIsotope('H-1')

Parameters

isotope the name of the isotope

Returns: a pointer to the Isotope

float Material::getIsotopeDensity	(	Isotope *	isotope,
		densityUnit	units = `NUM_CM3`
	)

This method takes in a character array specifier for an isotope's name and returns a float for the Isotope's density.

Parameters

isotope	pointer to the isotope of interest
units	the isotope density units (ie, NUM_CM3 by default)

Returns: the isotope's density

float Material::getIsotopeDensity	(	char *	isotope,
		densityUnit	units = `NUM_CM3`
	)

This method takes in a character array specifier for an isotope's name and returns a float for the Isotope's density.

Parameters

isotope	the name of the isotope
units	the isotope density units (ie, NUM_CM3 by default)

Returns: the isotope's density

char * Material::getMaterialName ( )

Returns the material name.

Returns: the name of this material

float Material::getMaterialNumberDensity ( )

Returns the total number density for all isotopes within the material.

Returns: the total number density $\frac{at}{cm^3}$ .

int Material::getNumXSEnergies ( char * xs_type )

Returns the total number of energies for which cross-sections are defined for one of the material's cross-section types.

This method assumes that each isotope contains cross-sections defined on a uniform lethargy grid (100,000 points by default). The method queries the first isotope in the material's collection of isotopes to determine the number of cross-sections. The method will return the number of values for 'capture', 'elastic', 'fission', 'absorption' and 'total' cross-section types.

Parameters

xs_type a character array for the cross-section type of interest

Returns: then number of cross-section values

float Material::getTotalMacroXS ( float energy )

Returns the total macroscopic cross-section for the material at some energy (eV).

Parameters

energy energy of interest (eV)

Returns: the total macroscopic cross-section $(cm^{-1})$

float Material::getTotalMacroXS ( int energy_index )

Returns the total macroscopic cross-section for the material at some index into the uniform lethargy grid of cross-section data.

Parameters

energy_index the index into the uniform lethargy grid

Returns: the total macroscopic cross-section $(cm^{-1})$

float Material::getTotalMicroXS ( float energy )

Returns the total microscopic cross-section for the material at some energy (eV).

Parameters

energy energy of interest (eV)

Returns: the total microscopic cross-section

float Material::getTotalMicroXS ( int energy_index )

Returns the total microscopic cross-section for the material at some index into the uniform lethargy grid of cross-section data.

Parameters

energy_index index into the uniform lethargy grid

Returns: the total microscopic cross-section

float Material::getTransportMacroXS ( float energy )

Returns the total macroscopic transport cross-section for the material at some energy (eV)

Parameters

energy the energy of interest (eV)

Returns: the total macroscopic transport cross-section $(cm^{-1})$

float Material::getTransportMacroXS ( int energy_index )

Returns the transport macroscopic cross-section for the material at some index into the uniform lethargy grid.

Parameters

energy_index the index into the uniform lethargy grid

Returns: the transport macroscopic cross-section $(cm^{-1})$

float Material::getTransportMicroXS ( float energy )

Returns the total microscopic transport cross-section for the material at some energy (eV)

Parameters

energy the energy of interest (eV)

Returns: the total microscopic transport cross-section

float Material::getTransportMicroXS ( int energy_index )

Returns the transport microscopic cross-section for the material at some index into the uniform lethargy grid.

Parameters

energy_index the index into the uniform lethargy grid

Returns: the transport microscopic cross-section

int Material::getUid ( ) const

Returns the unique ID auto-generated for the material.

Returns: a unique ID for the material

float Material::getVolume ( )

Returns the total volume of all regions containing this material.

Returns: the total volume defined by this material

void Material::incrementVolume ( float volume )

Increments the volume occupied by this material in the geometry.

This is used when a material is added to more than one region, as is the case for a heterogeneous pin cell with multiple radial regions of the same material.

Parameters

volume the volume to add to the total material volume

void Material::retrieveXS	(	float *	xs,
		int	num_xs,
		char *	xs_type
	)

Fills an array with macroscopic cross-section values.

This method is a helper function to allow PINSPEC users to get access to the material's nuclear data in Python. A user must initialize a numpy array of the correct size (ie, a float64 array the length of the number of cross-section values) as input to this function. This function then fills the numpy array with the data values for one of the isotope's cross-sections. An example of how this function might be called in Python is as follows:

num_xs = material.getNumXSEnergies()

xs = material.retrieveXS(num_xs, 'capture')

Parameters

xs	an array to fill with the macroscopic cross-section data
num_xs	the number of cross-section values
xs_type	the type of cross-section

void Material::retrieveXSEnergies	(	float *	energies,
		int	num_xs,
		char *	xs_type
	)

Fills an array with cross-section energy values.

This method is a helper function to allow PINSPEC users to get access to the material's nuclear data in Python. A user must initialize a numpy array of the correct size (ie, a float64 array the length of the number of cross-section values) as input to this function. This function then fills the numpy array with the energy values for the isotope's cross-section data. An example of how this function might be called in Python is as follows:

num_energies = material.getNumXSEnergies()

energies = material.retrieveXSEnergies(num_energies, 'capture')

Parameters

energies	an array to fill with the cross-section energies
num_xs	the number of cross-section values
xs_type	the type of cross-section

float Material::sampleDistanceTraveled ( neutron * neutron )

Samples a random distance to collision within this material.

Samples a random distance to the nearest collision in this material at some neutron energy using direct sampling from: $\frac{-log(\xi)}{\Sigma_t(E)}$

Parameters

neutron the neutron of interest

void Material::sampleIsotope ( neutron * neutron )

Samples an isotope for a collision.

The probability for collision with an isotope isbased on the ratios of each isotope's total cross-section to the total cross-section of all isotope's in this Material.

Returns: a pointer to the sampled isotope

void Material::setAtomicMass ( float atomic_mass )

Sets the material's total atomic mass.

If the material is a molecule this is equivalent to setting the molecular mass. For example, for UO2, the material atomic mass would be $ 235 + 16 + 16 = 267 $ .

Parameters

atomic_mass the material's total atomic mass

void Material::setBucklingSquared ( float buckling_squared )

Sets the squared geomtric buckling for the geometry in which this material resides.

This is used such that leakage can be sampled within isotopes in the same way as all other reaction rates.

Parameters

buckling_squared the squared geometric buckling for the geometry

void Material::setDensity	(	float	density,
		char *	unit
	)

Sets this material's density.

Parameters

density	the density of the material
unit	the density units ('g/cc' or 'at/cc' or 'at/barncm')

void Material::setMaterialName ( char * name )

Sets the name for the material.

Parameters

name	a character array for the material's name

void Material::setNumberDensity	(	float	density,
		const char *	unit
	)

Sets the material's number density.

Parameters

number_density	the number density of material (at/barncm)
unit	the density units ('g/cc' or 'at/cc' or 'at/barncm')

Member Data Documentation

float Material::_buckling_squared

private

The geometric buckling squared - used to sample leakage

densityUnit Material::_density_unit

private

The units for the material's density (ie, 'g/cc' or 'at/cc')

std::map<char*, std::pair<float, Isotope*> > Material::_isotopes

private

Map relating isotope name to number density / isotope pairs

std::map<Isotope*, float> Material::_isotopes_AO

private

Map relating isotope pointers to atomic ratios within the material

float Material::_material_atomic_mass

private

The material atomic mass (sum of all isotope masses according to their abundance in the material

float Material::_material_density

private

The material density in g/cc

char* Material::_material_name

private

The name of the material arbitrarily defined by the user

float Material::_material_number_density

private

The material number density in num/cc

int Material::_n = 1

staticprivate

A static class variable to generate a UID for each new material

int Material::_uid

private

The material's unique identifier

float Material::_volume

private

The total volume of all regions containing this material

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

pinspec/src/Material.h
pinspec/src/Material.cpp

Public Member Functions

Private Attributes

Static Private Attributes

Detailed Description

Constructor & Destructor Documentation

Member Function Documentation

Member Data Documentation