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This commit is contained in:
Gabriele Cosmo
2019-12-06 15:12:28 +01:00
parent b2a62ae692
commit 5baee230e9
2997 changed files with 141580 additions and 98673 deletions
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source/materials/src/G4Material.cc
+147 -72
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@@ -61,7 +61,7 @@
// 09-03-06, minor change of printout (V.Ivanchenko)
// 10-01-07, compute fAtomVector in the case of mass fraction (V.Ivanchenko)
// 27-07-07, improve destructor (V.Ivanchenko)
// 18-10-07, move definition of material index to InitialisePointers (V.Ivanchenko)
// 18-10-07, moved definition of mat index to InitialisePointers (V.Ivanchenko)
// 13-08-08, do not use fixed size arrays (V.Ivanchenko)
// 26-10-11, new scheme for G4Exception (mma)
// 13-04-12, map<G4Material*,G4double> fMatComponents, filled in AddMaterial()
@@ -79,6 +79,8 @@
#include "G4SystemOfUnits.hh"
#include "G4Exp.hh"
#include "G4Log.hh"
#include "G4ExtendedMaterial.hh"
#include "G4AtomicShells.hh"
G4MaterialTable G4Material::theMaterialTable;
@@ -114,25 +116,19 @@ G4Material::G4Material(const G4String& name, G4double z,
// Initialize theElementVector allocating one
// element corresponding to this material
maxNbComponents = fNumberOfComponents = fNumberOfElements = 1;
fArrayLength = maxNbComponents;
theElementVector = new G4ElementVector();
maxNbComponents = fNumberOfComponents = fNumberOfElements = 1;
fArrayLength = maxNbComponents;
theElementVector = new G4ElementVector();
const std::vector<G4String> elmnames =
G4NistManager::Instance()->GetNistElementNames();
G4String enam, snam;
// take element from DB
G4NistManager* nist = G4NistManager::Instance();
G4int iz = G4lrint(z);
if(iz < (G4int)elmnames.size()) {
snam = elmnames[iz];
enam = snam;
} else {
enam = "ELM_" + name;
snam = name;
}
theElementVector->push_back(new G4Element(enam, snam, z, a));
auto elm = nist->FindOrBuildElement(iz);
if(!elm) { elm = new G4Element("ELM_" + name, name, z, a); }
theElementVector->push_back(elm);
fMassFractionVector = new G4double[1];
fMassFractionVector[0] = 1. ;
fMassFractionVector[0] = 1.;
fMassOfMolecule = a/CLHEP::Avogadro;
if (fState == kStateUndefined)
@@ -245,7 +241,7 @@ G4Material::~G4Material()
delete [] fAtomsVector;
}
delete fIonisation;
delete [] VecNbOfAtomsPerVolume;
delete [] fVecNbOfAtomsPerVolume;
// Remove this material from theMaterialTable.
//
@@ -261,13 +257,14 @@ void G4Material::InitializePointers()
fAtomsVector = nullptr;
fMaterialPropertiesTable = nullptr;
VecNbOfAtomsPerVolume = nullptr;
fVecNbOfAtomsPerVolume = nullptr;
fBaseMaterial = nullptr;
fChemicalFormula = "";
// initilized data members
fDensity = 0.0;
fFreeElecDensity = 0.0;
fState = kStateUndefined;
fTemp = 0.0;
fPressure = 0.0;
@@ -275,8 +272,8 @@ void G4Material::InitializePointers()
fArrayLength = 0;
fNumberOfComponents = 0;
fNumberOfElements = 0;
TotNbOfAtomsPerVolume = 0.0;
TotNbOfElectPerVolume = 0.0;
fTotNbOfAtomsPerVolume = 0.0;
fTotNbOfElectPerVolume = 0.0;
fRadlen = 0.0;
fNuclInterLen = 0.0;
fMassOfMolecule = 0.0;
@@ -302,28 +299,31 @@ void G4Material::ComputeDerivedQuantities()
{
// Header routine to compute various properties of material.
//
// Number of atoms per volume (per element), total nb of electrons per volume
G4double Zi, Ai;
TotNbOfAtomsPerVolume = 0.;
if (VecNbOfAtomsPerVolume) { delete [] VecNbOfAtomsPerVolume; }
VecNbOfAtomsPerVolume = new G4double[fNumberOfElements];
TotNbOfElectPerVolume = 0.;
fTotNbOfAtomsPerVolume = 0.;
if (fVecNbOfAtomsPerVolume) { delete [] fVecNbOfAtomsPerVolume; }
fVecNbOfAtomsPerVolume = new G4double[fNumberOfElements];
fTotNbOfElectPerVolume = 0.;
fFreeElecDensity = 0.;
const G4double elecTh = 15.*CLHEP::eV; // threshold for conductivity e-
for (G4int i=0; i<fNumberOfElements; ++i) {
Zi = (*theElementVector)[i]->GetZ();
Ai = (*theElementVector)[i]->GetA();
VecNbOfAtomsPerVolume[i] = Avogadro*fDensity*fMassFractionVector[i]/Ai;
TotNbOfAtomsPerVolume += VecNbOfAtomsPerVolume[i];
TotNbOfElectPerVolume += VecNbOfAtomsPerVolume[i]*Zi;
Zi = (*theElementVector)[i]->GetZ();
Ai = (*theElementVector)[i]->GetA();
fVecNbOfAtomsPerVolume[i] = Avogadro*fDensity*fMassFractionVector[i]/Ai;
fTotNbOfAtomsPerVolume += fVecNbOfAtomsPerVolume[i];
fTotNbOfElectPerVolume += fVecNbOfAtomsPerVolume[i]*Zi;
if(fState != kStateGas) {
fFreeElecDensity += fVecNbOfAtomsPerVolume[i]*
G4AtomicShells::GetNumberOfFreeElectrons(Zi, elecTh);
}
}
ComputeRadiationLength();
ComputeNuclearInterLength();
if (fIonisation) { delete fIonisation; }
fIonisation = new G4IonisParamMat(this);
if (fSandiaTable) { delete fSandiaTable; }
fSandiaTable = new G4SandiaTable(this);
if (!fIonisation) { fIonisation = new G4IonisParamMat(this); }
if (!fSandiaTable){ fSandiaTable = new G4SandiaTable(this); }
}
//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
@@ -331,8 +331,9 @@ void G4Material::ComputeDerivedQuantities()
void G4Material::CopyPointersOfBaseMaterial()
{
G4double factor = fDensity/fBaseMaterial->GetDensity();
TotNbOfAtomsPerVolume = factor*fBaseMaterial->GetTotNbOfAtomsPerVolume();
TotNbOfElectPerVolume = factor*fBaseMaterial->GetTotNbOfElectPerVolume();
fTotNbOfAtomsPerVolume = factor*fBaseMaterial->GetTotNbOfAtomsPerVolume();
fTotNbOfElectPerVolume = factor*fBaseMaterial->GetTotNbOfElectPerVolume();
fFreeElecDensity = factor*fBaseMaterial->GetFreeElectronDensity();
if(fState == kStateUndefined) { fState = fBaseMaterial->GetState(); }
@@ -343,20 +344,21 @@ void G4Material::CopyPointersOfBaseMaterial()
fAtomsVector = const_cast<G4int*>(fBaseMaterial->GetAtomsVector());
const G4double* v = fBaseMaterial->GetVecNbOfAtomsPerVolume();
if (VecNbOfAtomsPerVolume) { delete [] VecNbOfAtomsPerVolume; }
VecNbOfAtomsPerVolume = new G4double[fNumberOfElements];
if (fVecNbOfAtomsPerVolume) { delete [] fVecNbOfAtomsPerVolume; }
fVecNbOfAtomsPerVolume = new G4double[fNumberOfElements];
for (G4int i=0; i<fNumberOfElements; ++i) {
VecNbOfAtomsPerVolume[i] = factor*v[i];
fVecNbOfAtomsPerVolume[i] = factor*v[i];
}
fRadlen = fBaseMaterial->GetRadlen()/factor;
fNuclInterLen = fBaseMaterial->GetNuclearInterLength()/factor;
if (fIonisation) { delete fIonisation; }
fIonisation = new G4IonisParamMat(this);
if(!fIonisation) { fIonisation = new G4IonisParamMat(this); }
fIonisation->SetMeanExcitationEnergy(fBaseMaterial->GetIonisation()->GetMeanExcitationEnergy());
if(fBaseMaterial->GetIonisation()->GetDensityEffectCalculator()) {
ComputeDensityEffectOnFly(true);
}
fSandiaTable = fBaseMaterial->GetSandiaTable();
fIonisation->SetMeanExcitationEnergy(fBaseMaterial->GetIonisation()->GetMeanExcitationEnergy());
fMaterialPropertiesTable = fBaseMaterial->GetMaterialPropertiesTable();
}
@@ -451,10 +453,11 @@ void G4Material::AddElement(G4Element* element, G4double fraction)
Zmol += fMassFractionVector[i]*(*theElementVector)[i]->GetZ();
Amol += fMassFractionVector[i]*(*theElementVector)[i]->GetA();
}
if (std::fabs(1.-wtSum) > perThousand) {
G4cerr << "WARNING !! for " << fName << " sum of fractional masses "
<< wtSum << " is not 1 - results may be wrong"
<< G4endl;
if (std::abs(1.-wtSum) > perThousand) {
G4cout << "WARNING !! for " << fName << " sum of fractional masses "
<< wtSum << " is not 1 - results may be wrong" << G4endl;
G4Exception ("G4Material::AddElement()", "mat033", JustWarning,
"Fractional masses are incorrect.");
}
for (i=0; i<fNumberOfElements; ++i) {
fAtomsVector[i] =
@@ -541,11 +544,13 @@ void G4Material::AddMaterial(G4Material* material, G4double fraction)
Zmol += fMassFractionVector[i]*(*theElementVector)[i]->GetZ();
Amol += fMassFractionVector[i]*(*theElementVector)[i]->GetA();
}
if (std::fabs(1.-wtSum) > perThousand) {
if (std::abs(1.-wtSum) > perThousand) {
G4cout << "G4Material::AddMaterial WARNING !! for " << fName
<< " sum of fractional masses "
<< wtSum << " is not 1 - results may be wrong"
<< G4endl;
G4Exception ("G4Material::AddMaterial()", "mat033", JustWarning,
"Fractional masses are incorrect.");
}
for (i=0; i<fNumberOfElements; ++i) {
fAtomsVector[i] =
@@ -562,7 +567,7 @@ void G4Material::ComputeRadiationLength()
{
G4double radinv = 0.0 ;
for (G4int i=0;i<fNumberOfElements;++i) {
radinv += VecNbOfAtomsPerVolume[i]*((*theElementVector)[i]->GetfRadTsai());
radinv += fVecNbOfAtomsPerVolume[i]*((*theElementVector)[i]->GetfRadTsai());
}
fRadlen = (radinv <= 0.0 ? DBL_MAX : 1./radinv);
}
@@ -571,16 +576,16 @@ void G4Material::ComputeRadiationLength()
void G4Material::ComputeNuclearInterLength()
{
static const G4double lambda0 = 35*CLHEP::g/CLHEP::cm2;
static const G4double twothird = 2.0/3.0;
const G4double lambda0 = 35*CLHEP::g/CLHEP::cm2;
const G4double twothird = 2.0/3.0;
G4double NILinv = 0.0;
for (G4int i=0; i<fNumberOfElements; ++i) {
G4int Z = G4lrint( (*theElementVector)[i]->GetZ());
G4int Z = (*theElementVector)[i]->GetZasInt();
G4double A = (*theElementVector)[i]->GetN();
if(1 == Z) {
NILinv += VecNbOfAtomsPerVolume[i]*A;
NILinv += fVecNbOfAtomsPerVolume[i]*A;
} else {
NILinv += VecNbOfAtomsPerVolume[i]*G4Exp(twothird*G4Log(A));
NILinv += fVecNbOfAtomsPerVolume[i]*G4Exp(twothird*G4Log(A));
}
}
NILinv *= amu/lambda0;
@@ -589,6 +594,46 @@ void G4Material::ComputeNuclearInterLength()
//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
void G4Material::SetChemicalFormula(const G4String& chF)
{
#ifdef G4MULTITHREADED
G4MUTEXLOCK(&materialMutex);
#endif
fChemicalFormula = chF;
#ifdef G4MULTITHREADED
G4MUTEXUNLOCK(&materialMutex);
#endif
}
//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
void G4Material::SetFreeElectronDensity(G4double val)
{
#ifdef G4MULTITHREADED
G4MUTEXLOCK(&materialMutex);
#endif
if(val >= 0.) { fFreeElecDensity = val; }
#ifdef G4MULTITHREADED
G4MUTEXUNLOCK(&materialMutex);
#endif
}
//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
void G4Material::ComputeDensityEffectOnFly(G4bool val)
{
#ifdef G4MULTITHREADED
G4MUTEXLOCK(&materialMutex);
#endif
if (!fIonisation) { fIonisation = new G4IonisParamMat(this); }
fIonisation->ComputeDensityEffectOnFly(val);
#ifdef G4MULTITHREADED
G4MUTEXUNLOCK(&materialMutex);
#endif
}
//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
G4MaterialTable* G4Material::GetMaterialTable()
{
return &theMaterialTable;
@@ -603,18 +648,17 @@ size_t G4Material::GetNumberOfMaterials()
//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
G4Material*
G4Material::GetMaterial(const G4String& materialName, G4bool warning)
G4Material* G4Material::GetMaterial(const G4String& materialName, G4bool warn)
{
// search the material by its name
for (size_t J=0 ; J<theMaterialTable.size() ; ++J)
{
if (theMaterialTable[J]->GetName() == materialName)
{ return theMaterialTable[J]; }
for (size_t j=0; j<theMaterialTable.size(); ++j) {
if (theMaterialTable[j]->GetName() == materialName) {
return theMaterialTable[j];
}
}
// the material does not exist in the table
if (warning) {
if (warn) {
G4cout << "G4Material::GetMaterial() WARNING: The material: "
<< materialName
<< " does not exist in the table. Return NULL pointer."
@@ -625,6 +669,35 @@ G4Material::GetMaterial(const G4String& materialName, G4bool warning)
//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
G4Material* G4Material::GetMaterial(G4double z, G4double a, G4double dens)
{
// search the material by its name
for (size_t j=0; j<theMaterialTable.size(); ++j) {
G4Material* mat = theMaterialTable[j];
if (1 == mat->GetNumberOfElements() &&
z == mat->GetZ() && a == mat->GetA() && dens == mat->GetDensity()) {
return mat;
}
}
return nullptr;
}
//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
G4Material* G4Material::GetMaterial(size_t nComp, G4double dens)
{
// search the material by its name
for (size_t j=0; j<theMaterialTable.size(); ++j) {
G4Material* mat = theMaterialTable[j];
if (nComp == mat->GetNumberOfElements() && dens == mat->GetDensity()) {
return mat;
}
}
return nullptr;
}
//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
G4double G4Material::GetZ() const
{
if (fNumberOfElements > 1) {
@@ -646,11 +719,10 @@ G4double G4Material::GetA() const
G4Exception ("G4Material::GetA()", "mat037", FatalException,
"the Atomic mass is not well defined." );
}
return (*theElementVector)[0]->GetA();
return (*theElementVector)[0]->GetA();
}
//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
#include "G4ExtendedMaterial.hh"
std::ostream& operator<<(std::ostream& flux, const G4Material* material)
{
@@ -669,12 +741,11 @@ std::ostream& operator<<(std::ostream& flux, const G4Material* material)
<< G4BestUnit(material->fNuclInterLen,"Length")
<< "\n" << std::setw(30)
<< " Imean: " << std::setw(7) << std::setprecision(3)
<< G4BestUnit(material->GetIonisation()->GetMeanExcitationEnergy(),
"Energy")
<< G4BestUnit(material->GetIonisation()->GetMeanExcitationEnergy(),"Energy")
<< " temperature: " << std::setw(6) << std::setprecision(2)
<< (material->fTemp)/kelvin << " K"
<< (material->fTemp)/CLHEP::kelvin << " K"
<< " pressure: " << std::setw(6) << std::setprecision(2)
<< (material->fPressure)/atmosphere << " atm" << "\n";
<< (material->fPressure)/CLHEP::atmosphere << " atm" << "\n";
for (G4int i=0; i<material->fNumberOfElements; i++) {
flux
@@ -683,8 +754,8 @@ std::ostream& operator<<(std::ostream& flux, const G4Material* material)
<< std::setw(6)<< std::setprecision(2)
<< (material->fMassFractionVector[i])/perCent << " %"
<< " ElmAbundance " << std::setw(6)<< std::setprecision(2)
<< 100*(material->VecNbOfAtomsPerVolume[i])
/(material->TotNbOfAtomsPerVolume)
<< 100*(material->fVecNbOfAtomsPerVolume[i])
/(material->fTotNbOfAtomsPerVolume)
<< " % \n";
}
flux.precision(prec);
@@ -722,7 +793,9 @@ std::ostream& operator<<(std::ostream& flux, G4MaterialTable MaterialTable)
//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
G4bool G4Material::IsExtended() const
{ return false; }
{
return false;
}
//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
@@ -731,10 +804,12 @@ void G4Material::SetMaterialPropertiesTable(G4MaterialPropertiesTable* anMPT)
if(anMPT && fMaterialPropertiesTable != anMPT) {
#ifdef G4MULTITHREADED
G4MUTEXLOCK(&materialMutex);
if(fMaterialPropertiesTable != anMPT) {
#endif
delete fMaterialPropertiesTable;
fMaterialPropertiesTable = anMPT;
delete fMaterialPropertiesTable;
fMaterialPropertiesTable = anMPT;
#ifdef G4MULTITHREADED
}
G4MUTEXUNLOCK(&materialMutex);
#endif
}