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This commit is contained in:
Gabriele Cosmo
2017-12-08 12:52:30 +01:00
parent 98e455a940
commit fc6af9e721
2166 changed files with 276760 additions and 100873 deletions
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source/processes/electromagnetic/dna/models/src/G4DNAEmfietzoglouIonisationModel.cc
+81 -73
View File
@@ -66,13 +66,13 @@ G4DNAEmfietzoglouIonisationModel::G4DNAEmfietzoglouIonisationModel(const G4Parti
G4cout << "Emfietzoglou ionisation model is constructed " << G4endl;
}
//Mark this model as "applicable" for atomic deexcitation
// Mark this model as "applicable" for atomic deexcitation
SetDeexcitationFlag(true);
fAtomDeexcitation = 0;
fParticleChangeForGamma = 0;
fpMolWaterDensity = 0;
// define default angular generator
// Define default angular generator
SetAngularDistribution(new G4DNABornAngle());
SetLowEnergyLimit(10. * eV);
@@ -183,11 +183,11 @@ void G4DNAEmfietzoglouIonisationModel::Initialise(const G4ParticleDefinition* pa
eTdummyVec.push_back(0.);
while(!eDiffCrossSection.eof())
{
double tDummy;
double eDummy;
G4double tDummy;
G4double eDummy;
eDiffCrossSection>>tDummy>>eDummy;
if (tDummy != eTdummyVec.back()) eTdummyVec.push_back(tDummy);
for (int j=0; j<5; j++)
for (G4int j=0; j<5; j++)
{
eDiffCrossSection>>eDiffCrossSectionData[j][tDummy][eDummy];
@@ -227,11 +227,13 @@ void G4DNAEmfietzoglouIonisationModel::Initialise(const G4ParticleDefinition* pa
}
// Initialize water density pointer
fpMolWaterDensity =
G4DNAMolecularMaterial::Instance()->
GetNumMolPerVolTableFor(G4Material::GetMaterial("G4_WATER"));
//
// AD
fAtomDeexcitation = G4LossTableManager::Instance()->AtomDeexcitation();
if (isInitialised)
@@ -370,6 +372,50 @@ SampleSecondaries(std::vector<G4DynamicParticle*>* fvect,
ionizationShell = RandomSelect(k,particleName);
G4double bindingEnergy = 0;
bindingEnergy = waterStructure.IonisationEnergy(ionizationShell);
// SI : additional protection if tcs interpolation method is modified
if (k<bindingEnergy) return;
//
G4double secondaryKinetic=-1000*eV;
if (!fasterCode) secondaryKinetic = RandomizeEjectedElectronEnergy(particle->GetDefinition(),k,ionizationShell);
if (fasterCode)
secondaryKinetic = RandomizeEjectedElectronEnergyFromCumulatedDcs(particle->GetDefinition(),k,ionizationShell);
// SI - For atom. deexc. tagging - 23/05/2017
G4int Z = 8;
G4ThreeVector deltaDirection =
GetAngularDistribution()->SampleDirectionForShell(particle, secondaryKinetic,
Z, ionizationShell,
couple->GetMaterial());
if (secondaryKinetic>0)
{
G4DynamicParticle* dp = new G4DynamicParticle (G4Electron::Electron(),deltaDirection,secondaryKinetic);
fvect->push_back(dp);
}
G4double deltaTotalMomentum = std::sqrt(secondaryKinetic*(secondaryKinetic + 2.*electron_mass_c2 ));
G4double finalPx = totalMomentum*primaryDirection.x() - deltaTotalMomentum*deltaDirection.x();
G4double finalPy = totalMomentum*primaryDirection.y() - deltaTotalMomentum*deltaDirection.y();
G4double finalPz = totalMomentum*primaryDirection.z() - deltaTotalMomentum*deltaDirection.z();
G4double finalMomentum = std::sqrt(finalPx*finalPx + finalPy*finalPy + finalPz*finalPz);
finalPx /= finalMomentum;
finalPy /= finalMomentum;
finalPz /= finalMomentum;
G4ThreeVector direction;
direction.set(finalPx,finalPy,finalPz);
fParticleChangeForGamma->ProposeMomentumDirection(direction.unit());
// AM: sample deexcitation
// here we assume that H_{2}O electronic levels are the same as Oxygen.
// this can be considered true with a rough 10% error in energy on K-shell,
@@ -377,14 +423,6 @@ SampleSecondaries(std::vector<G4DynamicParticle*>* fvect,
G4int secNumberInit = 0;// need to know at a certain point the energy of secondaries
G4int secNumberFinal = 0;// So I'll make the diference and then sum the energies
G4double bindingEnergy = 0;
bindingEnergy = waterStructure.IonisationEnergy(ionizationShell);
//SI: additional protection if tcs interpolation method is modified
if (k<bindingEnergy) return;
//
G4int Z = 8;
if(fAtomDeexcitation)
{
G4AtomicShellEnumerator as = fKShell;
@@ -413,36 +451,8 @@ SampleSecondaries(std::vector<G4DynamicParticle*>* fvect,
secNumberFinal = fvect->size();
}
G4double secondaryKinetic=-1000*eV;
// Note that secondaryKinetic is the energy of the delta ray, not of all secondaries.
if (!fasterCode) secondaryKinetic = RandomizeEjectedElectronEnergy(particle->GetDefinition(),k,ionizationShell);
// SI - 01/04/2014
if (fasterCode)
secondaryKinetic = RandomizeEjectedElectronEnergyFromCumulatedDcs(particle->GetDefinition(),k,ionizationShell);
//
G4ThreeVector deltaDirection =
GetAngularDistribution()->SampleDirectionForShell(particle, secondaryKinetic,
Z, ionizationShell,
couple->GetMaterial());
G4double deltaTotalMomentum = std::sqrt(secondaryKinetic*(secondaryKinetic + 2.*electron_mass_c2 ));
G4double finalPx = totalMomentum*primaryDirection.x() - deltaTotalMomentum*deltaDirection.x();
G4double finalPy = totalMomentum*primaryDirection.y() - deltaTotalMomentum*deltaDirection.y();
G4double finalPz = totalMomentum*primaryDirection.z() - deltaTotalMomentum*deltaDirection.z();
G4double finalMomentum = std::sqrt(finalPx*finalPx + finalPy*finalPy + finalPz*finalPz);
finalPx /= finalMomentum;
finalPy /= finalMomentum;
finalPz /= finalMomentum;
G4ThreeVector direction;
direction.set(finalPx,finalPy,finalPz);
fParticleChangeForGamma->ProposeMomentumDirection(direction.unit());
// note that secondaryKinetic is the energy of the delta ray, not of all secondaries.
G4double scatteredEnergy = k-bindingEnergy-secondaryKinetic;
G4double deexSecEnergy = 0;
for (G4int j=secNumberInit; j < secNumberFinal; j++)
@@ -461,13 +471,12 @@ SampleSecondaries(std::vector<G4DynamicParticle*>* fvect,
fParticleChangeForGamma->ProposeLocalEnergyDeposit(k-scatteredEnergy);
}
// SI - 01/04/2014
if (secondaryKinetic>0)
{
G4DynamicParticle* dp = new G4DynamicParticle (G4Electron::Electron(),deltaDirection,secondaryKinetic);
fvect->push_back(dp);
}
//
// TEST //////////////////////////
// if (secondaryKinetic<0) abort();
// if (scatteredEnergy<0) abort();
// if (k-scatteredEnergy-secondaryKinetic-deexSecEnergy<0) abort();
// if (k-scatteredEnergy<0) abort();
/////////////////////////////////
const G4Track * theIncomingTrack = fParticleChangeForGamma->GetCurrentTrack();
G4DNAChemistryManager::Instance()->CreateWaterMolecule(eIonizedMolecule,
@@ -504,7 +513,7 @@ RandomizeEjectedElectronEnergy(G4ParticleDefinition* particleDefinition,
G4double differentialCrossSection = DifferentialCrossSection(particleDefinition, k/eV, value/eV, shell);
if(differentialCrossSection >= crossSectionMaximum) crossSectionMaximum = differentialCrossSection;
}
*/
*/
// SI : alternative method
G4double crossSectionMaximum = 0.;
@@ -591,14 +600,14 @@ RandomizeEjectedElectronEnergy(G4ParticleDefinition* particleDefinition,
*/
//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
double G4DNAEmfietzoglouIonisationModel::DifferentialCrossSection(G4ParticleDefinition * particleDefinition,
G4double G4DNAEmfietzoglouIonisationModel::DifferentialCrossSection(G4ParticleDefinition * particleDefinition,
G4double k,
G4double energyTransfer,
G4int ionizationLevelIndex)
{
G4double sigma = 0.;
if(energyTransfer >= waterStructure.IonisationEnergy(ionizationLevelIndex))
if(energyTransfer >= waterStructure.IonisationEnergy(ionizationLevelIndex)/eV)
{
G4double valueT1 = 0;
G4double valueT2 = 0;
@@ -616,27 +625,28 @@ double G4DNAEmfietzoglouIonisationModel::DifferentialCrossSection(G4ParticleDefi
{
// k should be in eV and energy transfer eV also
std::vector<double>::iterator t2 = std::upper_bound(eTdummyVec.begin(),
std::vector<G4double>::iterator t2 = std::upper_bound(eTdummyVec.begin(),
eTdummyVec.end(),
k);
std::vector<double>::iterator t1 = t2 - 1;
std::vector<G4double>::iterator t1 = t2 - 1;
// SI : the following condition avoids situations where energyTransfer >last vector element
if(energyTransfer <= eVecm[(*t1)].back() && energyTransfer
<= eVecm[(*t2)].back())
// added strict limitations (09/08/2017)
if(energyTransfer < eVecm[(*t1)].back() &&
energyTransfer < eVecm[(*t2)].back())
{
std::vector<double>::iterator e12 =
std::vector<G4double>::iterator e12 =
std::upper_bound(eVecm[(*t1)].begin(),
eVecm[(*t1)].end(),
energyTransfer);
std::vector<double>::iterator e11 = e12 - 1;
std::vector<G4double>::iterator e11 = e12 - 1;
std::vector<double>::iterator e22 =
std::vector<G4double>::iterator e22 =
std::upper_bound(eVecm[(*t2)].begin(),
eVecm[(*t2)].end(),
energyTransfer);
std::vector<double>::iterator e21 = e22 - 1;
std::vector<G4double>::iterator e21 = e22 - 1;
valueT1 = *t1;
valueT2 = *t2;
@@ -717,7 +727,7 @@ G4double G4DNAEmfietzoglouIonisationModel::Interpolate(G4double e1,
G4double d2 = xs2;
value = (d1 + (d2 - d1)*(e - e1)/ (e2 - e1));
}
*/
*/
// Switch to log-lin interpolation for faster code
if((e2 - e1) != 0 && xs1 != 0 && xs2 != 0 && fasterCode)
@@ -746,7 +756,7 @@ G4double G4DNAEmfietzoglouIonisationModel::Interpolate(G4double e1,
<< xs2 << " "
<< value
<< G4endl;
*/
*/
return value;
}
@@ -853,9 +863,7 @@ G4double G4DNAEmfietzoglouIonisationModel::RandomizeEjectedElectronEnergyFromCum
- waterStructure.IonisationEnergy(shell);
//G4cout << RandomTransferedEnergy(particleDefinition, k/eV, shell) << G4endl;
// SI - 01/04/2014
if(secondaryElectronKineticEnergy < 0.) return 0.;
//
return secondaryElectronKineticEnergy;
}
@@ -886,9 +894,9 @@ G4double G4DNAEmfietzoglouIonisationModel::RandomTransferedEnergy(G4ParticleDefi
if (particleDefinition == G4Electron::ElectronDefinition())
{
// k should be in eV
std::vector<double>::iterator k2 = std::upper_bound(eTdummyVec.begin(),eTdummyVec.end(), k);
std::vector<G4double>::iterator k2 = std::upper_bound(eTdummyVec.begin(),eTdummyVec.end(), k);
std::vector<double>::iterator k1 = k2-1;
std::vector<G4double>::iterator k1 = k2-1;
/*
G4cout << "----> k=" << k
@@ -906,15 +914,15 @@ G4double G4DNAEmfietzoglouIonisationModel::RandomTransferedEnergy(G4ParticleDefi
&& random <= eProbaShellMap[ionizationLevelIndex][(*k2)].back() )
{
std::vector<double>::iterator prob12 = std::upper_bound(eProbaShellMap[ionizationLevelIndex][(*k1)].begin(),
std::vector<G4double>::iterator prob12 = std::upper_bound(eProbaShellMap[ionizationLevelIndex][(*k1)].begin(),
eProbaShellMap[ionizationLevelIndex][(*k1)].end(), random);
std::vector<double>::iterator prob11 = prob12-1;
std::vector<G4double>::iterator prob11 = prob12-1;
std::vector<double>::iterator prob22 = std::upper_bound(eProbaShellMap[ionizationLevelIndex][(*k2)].begin(),
std::vector<G4double>::iterator prob22 = std::upper_bound(eProbaShellMap[ionizationLevelIndex][(*k2)].begin(),
eProbaShellMap[ionizationLevelIndex][(*k2)].end(), random);
std::vector<double>::iterator prob21 = prob22-1;
std::vector<G4double>::iterator prob21 = prob22-1;
valueK1 =*k1;
valueK2 =*k2;
@@ -948,10 +956,10 @@ G4double G4DNAEmfietzoglouIonisationModel::RandomTransferedEnergy(G4ParticleDefi
if ( random > eProbaShellMap[ionizationLevelIndex][(*k1)].back() )
{
std::vector<double>::iterator prob22 = std::upper_bound(eProbaShellMap[ionizationLevelIndex][(*k2)].begin(),
std::vector<G4double>::iterator prob22 = std::upper_bound(eProbaShellMap[ionizationLevelIndex][(*k2)].begin(),
eProbaShellMap[ionizationLevelIndex][(*k2)].end(), random);
std::vector<double>::iterator prob21 = prob22-1;
std::vector<G4double>::iterator prob21 = prob22-1;
valueK1 =*k1;
valueK2 =*k2;