#include <Material.hxx>

Inheritance diagram for Material:

Public Member Functions
	Material ()
	Normal Constructor.

	Material (int theNumber)
	Special Constructor.

	Material (const Material &m)
	Copy constructor.

virtual	~Material ()
	Destructor.

virtual Material *	Copy ()
	Copy a Material.

virtual Material *	Clone (double Temperature=- 1)
	Clone a Material.

Nucleus &Proportion methods
void	AddNucleus (int Z, int A, double Proportion=1., ProportionUnitType ProportionUnit=kpMOL, string ModeratorCategory="")
	Add a new Nucleus to the Material composition in the ground state.

void	AddNucleus (int Z, int A, int I, double Proportion, ProportionUnitType ProportionUnit=kpMOL, string ModeratorCategory="")
	Add a new Nucleus to the Material composition.

void	AddNucleus (ZAI *zai, double Proportion=1., ProportionUnitType ProportionUnit=kpMOL, string ModeratorCategory="")
	Add a new Nucleus to the Material composition.

void	AddNucleus (Nucleus_ptr nucleus, double Proportion=1., ProportionUnitType ProportionUnit=kpMOL)
	Add a new Nucleus to the Material composition.

vector< Nucleus_ptr > &	GetComposition ()

Nucleus_ptr	GetComposition (int i)

void	SetComposition (vector< Nucleus_ptr > f)

Nucleus_ptr	GetNucleus (int Z, int A, int I=0)
	return the Nucleus Z, A, I

double	GetProportion (int i, ProportionUnitType ProportionUnit)

void	SetProportion (int i, double proportion, ProportionUnitType ProportionUnit)
	Set the Proportion of the ith nucleus.

void	ResetProportion ()
	set all proprtion to 0.

Material *	Mix (Material *M2, double part, ProportionUnitType ProportionUnit=kpMOL)
	Mix 2 Materials.

virtual vector< Material * >	Duplicate (int N, bool TrueClone=true)
	Duplicate material n times over.

void	Proportion2AtomCM3 ()
	Convert proportion unit (kpMOL or kpMASS) in at/cm3.

ProportionUnitType	GetProportionUnit ()

double	SumProportion ()
	return the sum of Proportion of each nucleus

int	GetZAIIndex (ZAI *zai)
	Get the index of a given zai in the composition vector. Return -1 if not there.

int	GetZAIIndex (int Z, int A, int I)
	Get the index of a given zai in the composition vector. Return -1 if not there.

void	UpdateZAI (bool WithReactions=true, bool WithSF=true)
	Update all ZAI of material (With reactions&decays or just decays).

void	AddToGlobalNucleiVector ()
	add all nuclei of this material to GlobalNucleiVector

void	AddZAIDaughters (ZAI *zai)
	add the daughters of zai in this with proportion=0

void	CFAddElement (int Z, double p)

void	CFAddElement (double h, int Z, double p)

void	CFAddElement (double h, string Z, double p)

void	CFAddElement (string Z, double p)

void	CFAddElementNucleus (int Z, int A, int I, double frac, ProportionUnitType unit)

void	CFAddElementNucleus (int Z, int A, double frac, ProportionUnitType unit)

void	CFCalculateMaterial ()

void	CFSetDensity (double dens, DensityUnitType unit)

Physical attributes methods
double	GetDensity (DensityUnitType DensityUnit)

void	SetDensity (double Density, DensityUnitType DensityUnit=kdGCM3)
	Set the density.

DensityUnitType	GetDensityUnit ()

double	GetTemperature ()

void	SetTemperature (double T=293.6)
	Set the temperature in K.

bool	HasModerator ()

void	SetModeratorName (string name)

string	GetModeratorName ()

double	MeanMolarMass ()
	return the mean molar mass (in gram)

bool	IsFuel ()

bool	IsModerator ()

bool	IsCladding ()

bool	IsCoolant ()

bool	IsCoolantGap ()

bool	IsModeratorBox ()

bool	IsControlMaterial ()

void	SetFuel (bool flag=true)

void	SetModerator (bool flag=true)

void	SetCladding (bool flag=true)

void	SetCoolant (bool flag=true)

void	SetCoolantGap (bool flag=true)

void	SetModeratorBox (bool flag=true)

Printing methods
string	PrintAll ()
	Print the Material (and its Nuclei) in MCNP format.

string	PrintCompositionInfo ()

void	ForbidPrint ()
	Forbid Material print in MCNP.

void	EnablePrint ()

void	SetPseudoMaterial ()
	Define a pesudo material.

bool	IsPseudoMaterial ()

bool	IsPrintable ()

string	PrintDensityUnit (DensityUnitType DensityUnit=kdUNDEFINED)
	Pretty print of density units.

string	PrintProportionUnit (ProportionUnitType ProportionUnit=kpUNDEFINED)
	Pretty print of proportion units.

void	DumpMaterial (string filename="material.dat")
	Make a nuclear chart &ascii tree of the material &write them to disk.

void	DumpCompositionInfo (string name="CompInfo.dat")
	Write the full composition information to a file.

void	DumpMaterial (string Filename, double Mass, double Volume)
	Dump a material which can be open with MureGui -onlytox.

Miscellaneous methods
int	fNumber
	Number of the Material in MCNP file.

double	fDensity
	Density of the Material.

DensityUnitType	fDensityUnit
	Density unit (either g/cm3 (default), at/cm3 or at/barn.cm)

ProportionUnitType	fProportionUnit
	Proportion vector unit (mol (default), at/barn.cm, at/cm3 or g/cm3)

double	fTemperature
	Temperature (in K) at which the Material is used (to find the right MCNP code)

bool	fEvolution
	whether or not will this Material will evolve with the time

bool	fTemperatureEvolution
	whether or not temperature will evolve

bool	fPerturbative
	whether this Material is a virtual (perturbative) material for MCNP input

string	fModeratorName
	Name of the moderator to be print in MT card (e.g. grph.06t)

string	fMaterialName
	Name of the material (uo2, water, ... used when thermal coupling)

string	fDefaultXSExtension
	Give a default extension to all nucleus.

bool	fUpdated
	true if ZAI have been updated (UpdateZAI) for evolution only

vector< Nucleus_ptr >	fComposition
	the Composition vector

vector< double >	fProportion
	the Proportion vector

map< int, map< int, map< int, int > > >	fIndex
	The index of the ZAI in the material composition.

Material *	fFatherOfPseudoClone
	the father to used in cell in case of Pseudo clone

bool	fFuel
	whether or not this material is considered fuel.

bool	fModerator
	whether or not this material is considered moderator.

bool	fModeratorBox
	whether or not this material is considered ModeratorBox.

bool	fCladding
	whether or not this material is considered cladding.

bool	fCoolant
	whether or not this material is considered Coolant.

bool	fCoolantGap
	whether or not this material is considered WaterGap.

bool	fPrintable
	whether or not material is printable in MCNP input file (default)

bool	fOutCore
	whether or not material is an Out core evolving material

bool	fPseudoMaterial
	Is the material a pseudomaterial?

bool	fControlMaterial
	This is a control material (e.g. for poison)

bool	fIsPerturbativeTallyMaterial

vector< int >	CFElements

vector< double >	CFps

vector< double >	CFhs

vector< vector< ZAI * > >	CFIsotopes

vector< vector< double > >	CFIsotopeProportions

vector< double >	CFElementMolarMass

vector< double >	CFElementRho

vector< ProportionUnitType >	CFPropElement

double	fCFMeanMolarMass

double	CFDensity

DensityUnitType	CFDensityUnit

int	GetNumber ()

void	SetNumber (int n)

void	SetDefaultXSExtension (string name)
	Set a default extension for all nuclei of the material.

string	GetDefaultXSExtension ()

void	SetEvolution ()
	Say that this Material will evolve.

bool	IsEvolving ()

bool	IsPerturbative ()

void	SetPerturbative (bool flag=true)

void	SortCompositionByAmount ()
	Sort the proportions/compositions in proportion order (highest first).

void	SortCompositionByMass ()
	Sort the proportions/compositions in atomic mass order (highest first).

void	FindTotalSigmaPerNucleus ()
	Find total cross-section.

Material *	GetFatherOfPseudoClone ()

void	SetTemperatureEvolution (bool flag=true)
	set the Temperature evolution flag

bool	IsOutCore ()

Cell *	SetOutCore (int TheNumber, double TheVolume)
	return a out core cell of volume TheVolume and number TheNumber

void	SetMaterialName (string name)

string	GetMaterialName ()

void	SetIsPerturbativeTallyMaterial (bool f=true)

bool	IsPerturbativeTallyMaterial ()

bool	IsZAIInTree (ZAI *zai)

bool	IsZAIInTree (int Z, int A, int I)

ZAI *	GetZAIInTree (ZAI *zai)

ZAI *	GetZAIInTree (int Z, int A, int I)

	Material (Material *m)
	Private Constructor.

Detailed Description

A Material constituing a Cell.

Each time a Material is created it is declared to MURE class (via gMURE) except if a Material is created from a Clone of a non evolving one.

Default Proportion units are mol. Default Density unit is g/cm3. Legal unit values are:

for Proportion (k=cte, p=proportion): kpMOL (% mole), kpMASS (% mass), kpATCM3 (atom/cm3) and kpATBCM (atom/barn.cm)
for Density (k=cte, d=density): kdGCM3 (g/cm3), kdATCM3 (atom/cm3) and kdATBCM (atom/barn.cm)

Proportions are printed in mol in MCNP file and density in g/cm3. In the evolution, proportion units are at/cm3 and the density evolve according to the composition evolution (sum of proportion in at/cm3).

Default temperature is 293.6K.

Note: if density is not provided, it is calculated automatically if proportions are in atoms/barn.cm or atoms/cm3.

Author: PTO; Frantisek

Version: 1.0

Constructor & Destructor Documentation

◆ Material() [1/4]

Material::Material ( )

Normal Constructor.

Default: theDensity=0, T=293.6K and Evolution=0.

◆ Material() [2/4]

Material::Material ( int theNumber )

Special Constructor.

Use when the geometry is not a MURE one but a standard MCNP(X) one Default: theDensity=0, T=293.6K and Evolution=0.

Parameters

theNumber : the number of the material used in the user provide MCNP(X) geometry

◆ Material() [3/4]

Material::Material ( const Material & m )

Copy constructor.

◆ ~Material()

Material::~Material ( )

virtual

Destructor.

◆ Material() [4/4]

Material::Material ( Material * m )

protected

Private Constructor.

It is used by Material::Clone to copy non vector attributs

Parameters

m	: the Material to be cloned

Member Function Documentation

◆ AddNucleus() [1/4]

void Material::AddNucleus	(	int	Z,
		int	A,
		double	Proportion = `1.`,
		ProportionUnitType	ProportionUnit = `kpMOL`,
		string	ModeratorCategory = `""`
	)

Add a new Nucleus to the Material composition in the ground state.

If ModeratorCategory is a non empty string, S(alpha, Beta) thermal treatment will be take into account in MCNP. This category is used in automatic moderator name assignement. H2O is for H in light water, D2O is for D in heavy water, H/Zr for H in ZrH, poly for polyethylene, BeO is for Be in Be oxyde, Be is for Be in Be metal and so on. If moderator name is given with Material::SetModeratorName(), the content of ModeratorCategory is unused.

Parameters

Z	: number of protons of nucleus
A	: number of nucleons (A=0 means natural isotopes)
Proportion	: proportion of Nucleus (to be used in a Composition)
ProportionUnit	: unit of proportion of Nucleus (possible values are kpMOL, kpMASS, kpATCM3, kpATBCM)
ModeratorCategory	: The catergory of the moderator ("H2O", "D2O", "H/Zr", "poly", "benz", "BeO", "Be", "Gr" or "Zr/H")

◆ AddNucleus() [2/4]

void Material::AddNucleus	(	int	Z,
		int	A,
		int	I,
		double	Proportion,
		ProportionUnitType	ProportionUnit = `kpMOL`,
		string	ModeratorCategory = `""`
	)

Add a new Nucleus to the Material composition.

If ModeratorCategory is a non empty string, S(alpha, Beta) thermal treatment will be take into account in MCNP. This category is used in automatic moderator name assignement. H2O is for H in light water, D2O is for D in heavy water, H/Zr for H in ZrH, poly for polyethylene, BeO is for Be in Be oxyde, Be is for Be in Be metal and so on. If moderator name is given with Material::SetModeratorName(), the content of ModeratorCategory is unused.

Parameters

Z	: number of protons of nucleus
A	: number of nucleons (A=0 means natural isotopes)
I	: Isomeric state (Ground State, ith excited)
Proportion	: proportion of Nucleus (to be used in a Composition)
ProportionUnit	: unit of proportion of Nucleus (possible values are kpMOL, kpMASS, kpATCM3, kpATBCM)
ModeratorCategory	: The catergory of the moderator ("H2O", "D2O", "H/Zr", "poly", "benz", "BeO", "Be", "Gr" or "Zr/H")

◆ AddNucleus() [3/4]

void Material::AddNucleus	(	Nucleus_ptr	nucleus,
		double	Proportion = `1.`,
		ProportionUnitType	ProportionUnit = `kpMOL`
	)

Add a new Nucleus to the Material composition.

Parameters

nucleus	: the nucleus to add
Proportion	: proportion of Nucleus (to be used in a Composition)
ProportionUnit	: unit of proportion of Nucleus (possible values are kpMOL, kpMASS, kpATCM3, kpATBCM)

◆ AddNucleus() [4/4]

void Material::AddNucleus	(	ZAI *	zai,
		double	Proportion = `1.`,
		ProportionUnitType	ProportionUnit = `kpMOL`,
		string	ModeratorCategory = `""`
	)

Add a new Nucleus to the Material composition.

If ModeratorCategory is a non empty string, S(alpha, Beta) thermal treatment will be take into account in MCNP. This category is used in automatic moderator name assignement. H2O is for H in light water, D2O is for D in heavy water, H/Zr for H in ZrH, poly for polyethylene, BeO is for Be in Be oxyde, Be is for Be in Be metal and so on. If moderator name is given with Material::SetModeratorName(), the content of ModeratorCategory is unused.

Parameters

zai	: the zai of the nucleus
Proportion	: proportion of Nucleus (to be used in a Composition)
ProportionUnit	: unit of proportion of Nucleus (possible values are kpMOL, kpMASS, kpATCM3, kpATBCM)
ModeratorCategory	: The catergory of the moderator ("H2O", "D2O", "H/Zr", "poly", "benz", "BeO", "Be", "Gr" or "Zr/H")

◆ AddToGlobalNucleiVector()

void Material::AddToGlobalNucleiVector ( )

add all nuclei of this material to GlobalNucleiVector

◆ AddZAIDaughters()

void Material::AddZAIDaughters ( ZAI * zai )

add the daughters of zai in this with proportion=0

◆ CFAddElement() [1/4]

void Material::CFAddElement	(	double	h,
		int	Z,
		double	p
	)

◆ CFAddElement() [2/4]

void Material::CFAddElement	(	double	h,
		string	Z,
		double	p
	)

◆ CFAddElement() [3/4]

void Material::CFAddElement	(	int	Z,
		double	p
	)

inline

◆ CFAddElement() [4/4]

void Material::CFAddElement	(	string	Z,
		double	p
	)

◆ CFAddElementNucleus() [1/2]

void Material::CFAddElementNucleus	(	int	Z,
		int	A,
		double	frac,
		ProportionUnitType	unit
	)

inline

◆ CFAddElementNucleus() [2/2]

void Material::CFAddElementNucleus	(	int	Z,
		int	A,
		int	I,
		double	frac,
		ProportionUnitType	unit
	)

◆ CFCalculateMaterial()

void Material::CFCalculateMaterial ( )

◆ CFSetDensity()

void Material::CFSetDensity	(	double	dens,
		DensityUnitType	unit
	)

inline

◆ Clone()

Material * Material::Clone ( double Temperature = - 1 )

virtual

Clone a Material.

 This method acts in 2 different ways depending on:

 - (1) The Material is an evolving one and/or the Temperature argument >=0
 - (2) The Material is not evolving and the Temperature argument <0.

In case (1) the clone is a real clone with same nuclei, proportion, ... (except Temperature if it is specified in argument).

In case (2) the clone is just used in cells with the new density (set with Material::SetDensity or in the argument of Clone).

WARNING: on a clone Material the used of Material::SetTemperature() may be miss understanding: If the Material has been clone in the case (1) it is not a problem ; but in case (2), because nuclei are not duplicated, this has no effect.

Parameters

Temperature : if given, the new temperature (in K) of the clone, else the "original" temperature is used (see the warning above).

Reimplemented in ControlMaterial.

◆ Copy()

Material * Material::Copy ( )

virtual

Copy a Material.

Because of inheritance, you must use this method instead of copy constructors.

Reimplemented in ControlMaterial.

◆ DumpCompositionInfo()

void Material::DumpCompositionInfo ( string name = "CompInfo.dat" )

Write the full composition information to a file.

◆ DumpMaterial() [1/2]

void Material::DumpMaterial	(	string	Filename,
		double	Mass,
		double	Volume
	)

Dump a material which can be open with MureGui -onlytox.

◆ DumpMaterial() [2/2]

void Material::DumpMaterial ( string filename = "material.dat" )

Make a nuclear chart &ascii tree of the material &write them to disk.

◆ Duplicate()

vector< Material * > Material::Duplicate	(	int	N,
		bool	TrueClone = `true`
	)

virtual

Duplicate material n times over.

Reimplemented in ControlMaterial.

◆ EnablePrint()

void Material::EnablePrint ( )

inline

< allow a Material print in MCNP.

◆ FindTotalSigmaPerNucleus()

void Material::FindTotalSigmaPerNucleus ( )

Find total cross-section.

◆ ForbidPrint()

void Material::ForbidPrint ( )

inline

Forbid Material print in MCNP.

This allows on to used material only for input/output fuel without printing t in MCNP file.

◆ GetComposition() [1/2]

vector< Nucleus_ptr > & Material::GetComposition ( )

inline

< return the Composition vector

◆ GetComposition() [2/2]

Nucleus_ptr Material::GetComposition ( int i )

inline

< return the Composition vector

◆ GetDefaultXSExtension()

string Material::GetDefaultXSExtension ( )

inline

< return default extension for all nuclei of the material.

◆ GetDensity()

double Material::GetDensity ( DensityUnitType DensityUnit )

Returns the density of this Material in DensityUnit

◆ GetDensityUnit()

DensityUnitType Material::GetDensityUnit ( )

inline

< return the density units

◆ GetFatherOfPseudoClone()

Material * Material::GetFatherOfPseudoClone ( )

inline

< returns the father ("original") of a pseudo clone

◆ GetMaterialName()

string Material::GetMaterialName ( )

inline

< returns the name of material

◆ GetModeratorName()

string Material::GetModeratorName ( )

inline

< return the moderatior name (e.g. lwtr.01t)

◆ GetNucleus()

Nucleus_ptr Material::GetNucleus	(	int	Z,
		int	A,
		int	I = `0`
	)

return the Nucleus Z, A, I

◆ GetNumber()

int Material::GetNumber ( )

inline

< Returns the MCNP Material number

◆ GetProportion()

double Material::GetProportion	(	int	i,
		ProportionUnitType	ProportionUnit
	)

return the ith Proportion

◆ GetProportionUnit()

ProportionUnitType Material::GetProportionUnit ( )

inline

< return the proportion units

◆ GetTemperature()

double Material::GetTemperature ( )

inline

< returns the temperature in K.

◆ GetZAIIndex() [1/2]

int Material::GetZAIIndex	(	int	Z,
		int	A,
		int	I
	)

Get the index of a given zai in the composition vector. Return -1 if not there.

◆ GetZAIIndex() [2/2]

int Material::GetZAIIndex ( ZAI * zai )

Get the index of a given zai in the composition vector. Return -1 if not there.

◆ GetZAIInTree() [1/2]

ZAI * Material::GetZAIInTree	(	int	Z,
		int	A,
		int	I
	)

◆ GetZAIInTree() [2/2]

ZAI * Material::GetZAIInTree ( ZAI * zai )

inline

◆ HasModerator()

bool Material::HasModerator ( )

inline

< Whether or not will this Material contains a Moderator

◆ IsCladding()

bool Material::IsCladding ( )

inline

< return true if material has been declared as a cladding

◆ IsControlMaterial()

bool Material::IsControlMaterial ( )

inline

< return true if material is a control material (see ControlMaterial class)

◆ IsCoolant()

bool Material::IsCoolant ( )

inline

< return true if material has been declared as a coolant

◆ IsCoolantGap()

bool Material::IsCoolantGap ( )

inline

< return true if material has been declared as a Coolant gap

◆ IsEvolving()

bool Material::IsEvolving ( )

inline

< Whether or not will this Material will evolve with the time

◆ IsFuel()

bool Material::IsFuel ( )

inline

< return true if material has been declared as a Fuel

◆ IsModerator()

bool Material::IsModerator ( )

inline

< return true if material has been declared as a moderator

◆ IsModeratorBox()

bool Material::IsModeratorBox ( )

inline

< return true if material has been declared as a moderator box

◆ IsOutCore()

bool Material::IsOutCore ( )

inline

< whether or not the Material is evolving out of the core

◆ IsPerturbative()

bool Material::IsPerturbative ( )

inline

< Whether the material is a virtual (perturbative) material

◆ IsPerturbativeTallyMaterial()

bool Material::IsPerturbativeTallyMaterial ( )

inline

◆ IsPrintable()

bool Material::IsPrintable ( )

inline

< whether or not the Material is printable

◆ IsPseudoMaterial()

bool Material::IsPseudoMaterial ( )

inline

< Is pesudo material

◆ IsZAIInTree() [1/2]

bool Material::IsZAIInTree	(	int	Z,
		int	A,
		int	I
	)

◆ IsZAIInTree() [2/2]

bool Material::IsZAIInTree ( ZAI * zai )

inline

◆ MeanMolarMass()

double Material::MeanMolarMass ( )

return the mean molar mass (in gram)

◆ Mix()

Material * Material::Mix	(	Material *	M2,
		double	part,
		ProportionUnitType	ProportionUnit = `kpMOL`
	)

Mix 2 Materials.

Material M2 is mixed with M1 ("this") to produced a new Material M12 with proportion M12=part*M2+(1-part)*this. It is assumed that M2 and this (M1) are only used for the mixture ; thus they will not be printed (Material::IsPrintable() is false). The new density is calculated as

$\rho_{12}=\frac{1}{\omega_1/\rho_1+\omega_2/\rho_2}$

where $\omega_i$ and $\rho_i$ are mass fraction and density respectively of material Mi in the mixture.

Parameters

M2	: the Material to be mixed with this
part	: the part of M2 used for mixing (50% => part=0.5)
ProportionUnit	: the unit of part used in the mixing (i.e., kpMOL, kpMASS, ...)

◆ PrintAll()

string Material::PrintAll ( )

Print the Material (and its Nuclei) in MCNP format.

A nucleus of a Materail is printed only if it is present in cross section databases and if it is significant: this means that N*Sigma_tot*Phi>epsilon...which has to be defined Print all nucleus (even if their proportion is null)

◆ PrintCompositionInfo()

string Material::PrintCompositionInfo ( )

Print out material composition

◆ PrintDensityUnit()

string Material::PrintDensityUnit ( DensityUnitType DensityUnit = kdUNDEFINED )

Pretty print of density units.

Parameters

DensityUnit : unit of density (possible values are kdGCM3, kdATCM3 and kdATBCM)

◆ PrintProportionUnit()

string Material::PrintProportionUnit ( ProportionUnitType ProportionUnit = kpUNDEFINED )

Pretty print of proportion units.

Parameters

ProportionUnit : unit of proportion of Nucleus (possible values are kpMOL, kpMASS, kpATCM3, kpATBCM)

◆ Proportion2AtomCM3()

void Material::Proportion2AtomCM3 ( )

Convert proportion unit (kpMOL or kpMASS) in at/cm3.

◆ ResetProportion()

void Material::ResetProportion ( )

set all proprtion to 0.

◆ SetCladding()

void Material::SetCladding ( bool flag = true )

inline

< declares material as a cladding

◆ SetComposition()

void Material::SetComposition ( vector< Nucleus_ptr > f )

inline

< set the composition vector

◆ SetCoolant()

void Material::SetCoolant ( bool flag = true )

inline

< declares material as a Coolant

◆ SetCoolantGap()

void Material::SetCoolantGap ( bool flag = true )

inline

< declares material as a Coolant Gap

◆ SetDefaultXSExtension()

void Material::SetDefaultXSExtension ( string name )

Set a default extension for all nuclei of the material.

This is usefull if you don't have BaseSummary.dat file to find automatically the MCNP extension. See example Material_test.cxx

Parameters

name	: extension name (e.g. ".60c")

◆ SetDensity()

void Material::SetDensity	(	double	Density,
		DensityUnitType	DensityUnit = `kdGCM3`
	)

Set the density.

Parameters

Density	: the density in the specified units
DensityUnit	: either kdGCM3 (g/cm3) (default), kdATCM3(at/cm3) or kdATBCM(at/barn.cm)

◆ SetEvolution()

void Material::SetEvolution ( )

Say that this Material will evolve.

◆ SetFuel()

void Material::SetFuel ( bool flag = true )

inline

< declares material as a Fuel

◆ SetIsPerturbativeTallyMaterial()

void Material::SetIsPerturbativeTallyMaterial ( bool f = true )

inline

◆ SetMaterialName()

void Material::SetMaterialName ( string name )

inline

< declares the name of the material (used when thermal coupling)

◆ SetModerator()

void Material::SetModerator ( bool flag = true )

inline

< declares material as a moderator

◆ SetModeratorBox()

void Material::SetModeratorBox ( bool flag = true )

inline

< declares material as a ModeratorBox

◆ SetModeratorName()

void Material::SetModeratorName ( string name )

inline

< set the moderatior name (e.g. lwtr.01t)

◆ SetNumber()

void Material::SetNumber ( int n )

inline

< sets the MCNP Material number

◆ SetOutCore()

Cell * Material::SetOutCore	(	int	TheNumber,
		double	TheVolume
	)

return a out core cell of volume TheVolume and number TheNumber

◆ SetPerturbative()

void Material::SetPerturbative ( bool flag = true )

inline

< Whether the material is a virtual (perturbative) material

◆ SetProportion()

void Material::SetProportion	(	int	i,
		double	proportion,
		ProportionUnitType	ProportionUnit
	)

Set the Proportion of the ith nucleus.

Give units to proportion (% mol, % mass, at/barn.cm, at/cm3 or atoms). If any nuclides are already present in the material, Proportion vector is recalculated.

Parameters

i	: index of the nucleus in the composition
proportion	: the proportion of the nucleus
ProportionUnit	: unit of proportion of Nucleus (possible values are kpMOL, kpMASS, kpATCM3, kpATBCM) Sets the ith proportion.

◆ SetPseudoMaterial()

void Material::SetPseudoMaterial ( )

Define a pesudo material.

A pseudo-material composed by a mixture of identicals nuclei at different temperatures to simulate a missing temperature ins nuclear data bases. Suppose, one needs 1 nucleus (code N) with a proportion p at temperature T but it is only avalaible at temperature T1 (code N1) and T2 (code N2) such as T1<T<T2. A "pseudo material" is then created with $N_{1} (1-w_{2})\times p + N_{2} w_{2}\times p$ where

$w_{2}=\frac{\sqrt{T}-\sqrt{T_{1}}}{\sqrt{T_{2}}-\sqrt{T_{1}}}$

◆ SetTemperature()

void Material::SetTemperature ( double T = 293.6 )

Set the temperature in K.

◆ SetTemperatureEvolution()

void Material::SetTemperatureEvolution ( bool flag = true )

set the Temperature evolution flag

◆ SortCompositionByAmount()

void Material::SortCompositionByAmount ( )

Sort the proportions/compositions in proportion order (highest first).

◆ SortCompositionByMass()

void Material::SortCompositionByMass ( )

Sort the proportions/compositions in atomic mass order (highest first).

◆ SumProportion()

double Material::SumProportion ( )

return the sum of Proportion of each nucleus

◆ UpdateZAI()

void Material::UpdateZAI	(	bool	WithReactions = `true`,
		bool	WithSF = `true`
	)

Update all ZAI of material (With reactions&decays or just decays).

Member Data Documentation

◆ CFDensity

double Material::CFDensity

protected

◆ CFDensityUnit

DensityUnitType Material::CFDensityUnit

protected

◆ CFElementMolarMass

vector< double > Material::CFElementMolarMass

protected

◆ CFElementRho

vector< double > Material::CFElementRho

protected

◆ CFElements

vector< int > Material::CFElements

protected

◆ CFhs

vector< double > Material::CFhs

protected

◆ CFIsotopeProportions

vector< vector <double> > Material::CFIsotopeProportions

protected

◆ CFIsotopes

vector< vector <ZAI *> > Material::CFIsotopes

protected

◆ CFPropElement

vector<ProportionUnitType> Material::CFPropElement

protected

◆ CFps

vector< double > Material::CFps

protected

◆ fCFMeanMolarMass

double Material::fCFMeanMolarMass

protected

◆ fCladding

bool Material::fCladding

protected

whether or not this material is considered cladding.

◆ fComposition

vector< Nucleus_ptr > Material::fComposition

protected

the Composition vector

◆ fControlMaterial

bool Material::fControlMaterial

protected

This is a control material (e.g. for poison)

◆ fCoolant

bool Material::fCoolant

protected

whether or not this material is considered Coolant.

◆ fCoolantGap

bool Material::fCoolantGap

protected

whether or not this material is considered WaterGap.

◆ fDefaultXSExtension

string Material::fDefaultXSExtension

protected

Give a default extension to all nucleus.

◆ fDensity

double Material::fDensity

protected

Density of the Material.

◆ fDensityUnit

DensityUnitType Material::fDensityUnit

protected

Density unit (either g/cm3 (default), at/cm3 or at/barn.cm)

◆ fEvolution

bool Material::fEvolution

protected

whether or not will this Material will evolve with the time

◆ fFatherOfPseudoClone

Material* Material::fFatherOfPseudoClone

protected

the father to used in cell in case of Pseudo clone

◆ fFuel

bool Material::fFuel

protected

whether or not this material is considered fuel.

◆ fIndex

map< int, map < int, map < int, int > > > Material::fIndex

protected

The index of the ZAI in the material composition.

◆ fIsPerturbativeTallyMaterial

bool Material::fIsPerturbativeTallyMaterial

protected

◆ fMaterialName

string Material::fMaterialName

protected

Name of the material (uo2, water, ... used when thermal coupling)

◆ fModerator

bool Material::fModerator

protected

whether or not this material is considered moderator.

◆ fModeratorBox

bool Material::fModeratorBox

protected

whether or not this material is considered ModeratorBox.

◆ fModeratorName

string Material::fModeratorName

protected

Name of the moderator to be print in MT card (e.g. grph.06t)

◆ fNumber

int Material::fNumber

protected

Number of the Material in MCNP file.

◆ fOutCore

bool Material::fOutCore

protected

whether or not material is an Out core evolving material

◆ fPerturbative

bool Material::fPerturbative

protected

whether this Material is a virtual (perturbative) material for MCNP input

◆ fPrintable

bool Material::fPrintable

protected

whether or not material is printable in MCNP input file (default)

◆ fProportion

vector< double > Material::fProportion

protected

the Proportion vector

◆ fProportionUnit

ProportionUnitType Material::fProportionUnit

protected

Proportion vector unit (mol (default), at/barn.cm, at/cm3 or g/cm3)

◆ fPseudoMaterial

bool Material::fPseudoMaterial

protected

Is the material a pseudomaterial?

◆ fTemperature

double Material::fTemperature

protected

Temperature (in K) at which the Material is used (to find the right MCNP code)

◆ fTemperatureEvolution

bool Material::fTemperatureEvolution

protected

whether or not temperature will evolve

◆ fUpdated

bool Material::fUpdated

protected

true if ZAI have been updated (UpdateZAI) for evolution only

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

/gpr/meplan/SMURE/source/include/Material.hxx
/gpr/meplan/SMURE/source/src/Material.cxx

Public Member Functions

Miscellaneous methods

Detailed Description

Constructor & Destructor Documentation

◆ Material() [1/4]

◆ Material() [2/4]

◆ Material() [3/4]

◆ ~Material()

◆ Material() [4/4]

Member Function Documentation

◆ AddNucleus() [1/4]

◆ AddNucleus() [2/4]

◆ AddNucleus() [3/4]

◆ AddNucleus() [4/4]

◆ AddToGlobalNucleiVector()

◆ AddZAIDaughters()

◆ CFAddElement() [1/4]

◆ CFAddElement() [2/4]

◆ CFAddElement() [3/4]

◆ CFAddElement() [4/4]

◆ CFAddElementNucleus() [1/2]

◆ CFAddElementNucleus() [2/2]

◆ CFCalculateMaterial()

◆ CFSetDensity()

◆ Clone()

◆ Copy()

◆ DumpCompositionInfo()

◆ DumpMaterial() [1/2]

◆ DumpMaterial() [2/2]

◆ Duplicate()

◆ EnablePrint()

◆ FindTotalSigmaPerNucleus()

◆ ForbidPrint()

◆ GetComposition() [1/2]

◆ GetComposition() [2/2]

◆ GetDefaultXSExtension()

◆ GetDensity()

◆ GetDensityUnit()

◆ GetFatherOfPseudoClone()

◆ GetMaterialName()

◆ GetModeratorName()

◆ GetNucleus()

◆ GetNumber()

◆ GetProportion()

◆ GetProportionUnit()

◆ GetTemperature()

◆ GetZAIIndex() [1/2]

◆ GetZAIIndex() [2/2]

◆ GetZAIInTree() [1/2]

◆ GetZAIInTree() [2/2]

◆ HasModerator()

◆ IsCladding()

◆ IsControlMaterial()

◆ IsCoolant()

◆ IsCoolantGap()

◆ IsEvolving()

◆ IsFuel()

◆ IsModerator()

◆ IsModeratorBox()

◆ IsOutCore()

◆ IsPerturbative()

◆ IsPerturbativeTallyMaterial()

◆ IsPrintable()

◆ IsPseudoMaterial()

◆ IsZAIInTree() [1/2]

◆ IsZAIInTree() [2/2]

◆ MeanMolarMass()

◆ Mix()

◆ PrintAll()

◆ PrintCompositionInfo()

◆ PrintDensityUnit()

◆ PrintProportionUnit()

◆ Proportion2AtomCM3()

◆ ResetProportion()

◆ SetCladding()

◆ SetComposition()

◆ SetCoolant()

◆ SetCoolantGap()

◆ SetDefaultXSExtension()

◆ SetDensity()