Defining MaterialDefining Material

Tatsumi Koi (SLAC/SCCS)Tatsumi Koi (SLAC/SCCS)

((based onbased on Makoto Asai's slides) Makoto Asai's slides)

Geant4 Tutorial CourseGeant4 Tutorial Course

Geant4 v8.2p01

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ContentsContents

Material definitionMaterial definition

NIST material databaseNIST material database

Definition of materialDefinition of material

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Definition of MaterialsDefinition of Materials Different kinds of materials can be described:Different kinds of materials can be described:

isotopesisotopes <-><-> G4IsotopeG4Isotope elementselements <-><-> G4ElementG4Element molecules, compounds and mixtures <-> G4Materialmolecules, compounds and mixtures <-> G4Material

Attributes associated to G4Material:Attributes associated to G4Material: temperature, pressure, state, densitytemperature, pressure, state, density

Prefer low-density material to vacuumPrefer low-density material to vacuum For hadronic processes, you have to have at least correct set of For hadronic processes, you have to have at least correct set of

elements. You should not use "averaged material".elements. You should not use "averaged material".

Single element materialSingle element material

double density = 1.390*g/cm3;double density = 1.390*g/cm3;

double a = 39.95*g/mole;double a = 39.95*g/mole;

G4Material* lAr =G4Material* lAr =

new new G4MaterialG4Material("liquidArgon",z=18.,a,density);("liquidArgon",z=18.,a,density);

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Material: moleculeMaterial: molecule A Molecule is made of several elements (composition by A Molecule is made of several elements (composition by number of number of

atomsatoms))

a = 1.01*g/mole;a = 1.01*g/mole;

G4Element* elH =G4Element* elH =

new new G4ElementG4Element("Hydrogen",symbol="H",z=1.,a);("Hydrogen",symbol="H",z=1.,a);

a = 16.00*g/mole;a = 16.00*g/mole;

G4Element* elO =G4Element* elO =

new new G4ElementG4Element("Oxygen",symbol="O",z=8.,a);("Oxygen",symbol="O",z=8.,a);

density = 1.000*g/cm3;density = 1.000*g/cm3;

G4Material* H2O =G4Material* H2O =

new new G4MaterialG4Material("Water",density,ncomp=2);("Water",density,ncomp=2);

G4int natomsG4int natoms;;

H2O->H2O->AddElementAddElement(elH, natoms=(elH, natoms=22););

H2O->H2O->AddElementAddElement(elO, natoms=(elO, natoms=11););

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Material: compound Material: compound Compound: composition by Compound: composition by fraction of massfraction of mass

a = 14.01*g/mole;a = 14.01*g/mole;

G4Element* elN = G4Element* elN =

new new G4ElementG4Element(name="Nitrogen",symbol="N",z= 7.,a);(name="Nitrogen",symbol="N",z= 7.,a);

a = 16.00*g/mole;a = 16.00*g/mole;

G4Element* elO = G4Element* elO =

new new G4ElementG4Element(name="Oxygen",symbol="O",z= 8.,a);(name="Oxygen",symbol="O",z= 8.,a);

density = 1.290*mg/cm3;density = 1.290*mg/cm3;

G4Material* Air = G4Material* Air =

new new G4MaterialG4Material(name="Air",density,ncomponents=2);(name="Air",density,ncomponents=2);

G4double fracMassG4double fracMass;;

Air->Air->AddElementAddElement(elN, fracMass=(elN, fracMass=70.0*perCent70.0*perCent););

Air->Air->AddElementAddElement(elO, fracMass=(elO, fracMass=30.0*perCent30.0*perCent););

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Material: mixtureMaterial: mixture Composition of compound materialsComposition of compound materials

G4Element* elC = …; // define “carbon” elementG4Element* elC = …; // define “carbon” element

G4Material* SiO2 = …; // define “quartz” materialG4Material* SiO2 = …; // define “quartz” material

G4Material* H2O = …; // define “water” materialG4Material* H2O = …; // define “water” material

density = 0.200*g/cm3;density = 0.200*g/cm3;

G4Material* Aerog =G4Material* Aerog =

new G4Material("Aerogel",density,new G4Material("Aerogel",density,ncomponents=3ncomponents=3););

Aerog->Aerog->AddMaterialAddMaterial(SiO2,fractionmass=62.5*perCent);(SiO2,fractionmass=62.5*perCent);

Aerog->Aerog->AddMaterialAddMaterial(H2O ,fractionmass=37.4*perCent);(H2O ,fractionmass=37.4*perCent);

Aerog->Aerog->AddElement AddElement (elC ,fractionmass= 0.1*perCent);(elC ,fractionmass= 0.1*perCent);

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Element with user defined Element with user defined abundanceabundance

An element can be created according to user defined abundances An element can be created according to user defined abundances

Ex. Create an enriched Uranium for nuclear power generation Ex. Create an enriched Uranium for nuclear power generation G4Isotope* isoU235 =G4Isotope* isoU235 =

new new G4IsotopeG4Isotope(“U235", iz=92, ia=235, (“U235", iz=92, ia=235, a=235.0439242*g/mole);a=235.0439242*g/mole);

G4Isotope* isoU238 =G4Isotope* isoU238 = new new G4IsotopeG4Isotope(“U238", iz=92, ia=238, a=238.0507847 (“U238", iz=92, ia=238, a=238.0507847

*g/mole);*g/mole);

G4Element* elenrichedU = G4Element* elenrichedU = new new G4ElementG4Element(“enriched U", symbol=“U" , ncomponents=2);(“enriched U", symbol=“U" , ncomponents=2);elenrichedU->elenrichedU->AddIsotopeAddIsotope(isoU235, abundance=80.*perCent);(isoU235, abundance=80.*perCent);elenrichedU->elenrichedU->AddIsotopeAddIsotope(isoU235, abundance=20.*perCent);(isoU235, abundance=20.*perCent);

G4Material* matenrichedU= G4Material* matenrichedU= new new G4MateriaG4Material(“U for nuclearl(“U for nuclear power generation" , density= power generation" , density=

19.050*g/cm3 , ncomponents = 1 , kStateSolid );19.050*g/cm3 , ncomponents = 1 , kStateSolid );matenrichedU>matenrichedU>AddElementAddElement( elenrichedU , fractionmass = 1 );( elenrichedU , fractionmass = 1 );

NIST Material Database NIST Material Database in Geant4in Geant4

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Material category upgradeMaterial category upgrade NIST database for materials is NIST database for materials is

imported inside Geant4 imported inside Geant4 (http://physics.nist.gov/PhysRefDat(http://physics.nist.gov/PhysRefData)a)

New interfaces are added, old are New interfaces are added, old are keptkept

UI commands for material categoryUI commands for material category Guarantee the best accuracy for Guarantee the best accuracy for

major parameters:major parameters: DensityDensity Mean excitation potentialMean excitation potential Chemical boundsChemical bounds Element compositionElement composition Isotope compositionIsotope composition

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NIST Elements and IsotopesNIST Elements and IsotopesZ A m error (%) AZ A m error (%) Aeffeff

==================================================14 Si 22 22.03453 (22) 28.0855(3) 14 Si 22 22.03453 (22) 28.0855(3) 23 23.02552 (21) 23 23.02552 (21) 24 24.011546 (21) 24 24.011546 (21) 25 25.004107 (11) 25 25.004107 (11) 26 25.992330 (3) 26 25.992330 (3) 27 26.98670476 (17) 27 26.98670476 (17) 28 27.9769265327 (20) 92.2297 (7) 28 27.9769265327 (20) 92.2297 (7) 29 28.97649472 (3) 4.6832 (5) 29 28.97649472 (3) 4.6832 (5) 30 29.97377022 (5) 3.0872 (5) 30 29.97377022 (5) 3.0872 (5) 31 30.97536327 (7) 31 30.97536327 (7) 32 31.9741481 (23) 32 31.9741481 (23) 33 32.978001 (17) 33 32.978001 (17) 34 33.978576 (15) 34 33.978576 (15) 35 34.984580 (40) 35 34.984580 (40) 36 35.98669 (11) 36 35.98669 (11) 37 36.99300 (13) 37 36.99300 (13) 38 37.99598 (29) 38 37.99598 (29) 39 39.00230 (43) 39 39.00230 (43) 40 40.00580 (54) 40 40.00580 (54) 41 41.01270 (64) 41 41.01270 (64) 42 42.01610 (75) 42 42.01610 (75)

•Natural isotope compositions Natural isotope compositions

•More than 3000 isotope masses More than 3000 isotope masses

are used for definitionare used for definition

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NIST materials in Geant4NIST materials in Geant4========================================================================### Elementary Materials from the NIST Data Base ### Elementary Materials from the NIST Data Base ======================================================================== Z Name ChFormula density(g/cm^3) I(eV) Z Name ChFormula density(g/cm^3) I(eV) ========================================================================1 G4_H H_2 8.3748e-05 19.21 G4_H H_2 8.3748e-05 19.22 G4_He 0.000166322 41.82 G4_He 0.000166322 41.83 G4_Li 0.534 403 G4_Li 0.534 404 G4_Be 1.848 63.74 G4_Be 1.848 63.75 G4_B 2.37 765 G4_B 2.37 766 G4_C 2 816 G4_C 2 817 G4_N N_2 0.0011652 827 G4_N N_2 0.0011652 828 G4_O O_2 0.00133151 958 G4_O O_2 0.00133151 959 G4_F 0.00158029 1159 G4_F 0.00158029 11510 G4_Ne 0.000838505 13710 G4_Ne 0.000838505 13711 G4_Na 0.971 14911 G4_Na 0.971 14912 G4_Mg 1.74 15612 G4_Mg 1.74 15613 G4_Al 2.6989 16613 G4_Al 2.6989 16614 G4_Si 2.33 17314 G4_Si 2.33 173

NIST Elementary MaterialsNIST Elementary Materials H to Cf H to Cf

NIST CompoundsNIST Compounds HEP and Nuclear MaterialsHEP and Nuclear Materials

Ex. liquid Ar PbWOEx. liquid Ar PbWO44

======================================================================### Compound Materials from the NIST Data Base ### Compound Materials from the NIST Data Base ====================================================================== N Name ChFormula density(g/cm^3) I(eV) N Name ChFormula density(g/cm^3) I(eV) ======================================================================13 G4_Adipose_Tissue 0.92 63.213 G4_Adipose_Tissue 0.92 63.2 1 0.1194771 0.119477 6 0.637246 0.63724 7 0.007977 0.00797 8 0.2323338 0.232333 11 0.000511 0.0005 12 2e-0512 2e-05 15 0.0001615 0.00016 16 0.0007316 0.00073 17 0.0011917 0.00119 19 0.0003219 0.00032 20 2e-0520 2e-05 26 2e-0526 2e-05 30 2e-0530 2e-054 G4_Air 0.00120479 85.74 G4_Air 0.00120479 85.7 6 0.0001246 0.000124 7 0.7552687 0.755268 8 0.2317818 0.231781 18 0.01282718 0.0128272 G4_CsI 2 G4_CsI 4.51 4.51 553.1553.1 53 0.4769253 0.47692 55 0.5230855 0.52308

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How to useHow to use Do not need anymore to predefine elements and materials Do not need anymore to predefine elements and materials Main new user interfaces:Main new user interfaces:

G4NistManager* manager = G4NistManager::GetPointer();G4NistManager* manager = G4NistManager::GetPointer();

G4Element* elm = manager->FindOrBuildElement(“symb”, G4bool iso);G4Element* elm = manager->FindOrBuildElement(“symb”, G4bool iso);

G4Element* elm = manager->FindOrBuildElement(G4int Z, G4bool iso);G4Element* elm = manager->FindOrBuildElement(G4int Z, G4bool iso);

G4Material* mat = manager->FindOrBuildMaterial(“name”, G4bool iso);G4Material* mat = manager->FindOrBuildMaterial(“name”, G4bool iso);

G4Material* mat = manager->ConstructNewMaterial(“name”, G4Material* mat = manager->ConstructNewMaterial(“name”, const std::vector<G4int>& Z,const std::vector<G4int>& Z, const std::vector<G4double>& weight,const std::vector<G4double>& weight, G4double density, G4bool iso);G4double density, G4bool iso);

G4double isotopeMass = manager->GetMass(G4int Z, G4int N); G4double isotopeMass = manager->GetMass(G4int Z, G4int N);

UI commandsUI commands /material/nist/printElement --- print defined elements/material/nist/printElement --- print defined elements /material/nist/listMaterials --- print defined materials/material/nist/listMaterials --- print defined materials