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geant4/source/processes/electromagnetic/dna/models/src/G4DNAMillerGreenExcitationModel.cc
T
Gabriele Cosmo db49709b53 Import Geant4 10.5.0 source tree
2018-12-07 15:15:39 +01:00

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//
// ********************************************************************
// * License and Disclaimer *
// * *
// * The Geant4 software is copyright of the Copyright Holders of *
// * the Geant4 Collaboration. It is provided under the terms and *
// * conditions of the Geant4 Software License, included in the file *
// * LICENSE and available at http://cern.ch/geant4/license . These *
// * include a list of copyright holders. *
// * *
// * Neither the authors of this software system, nor their employing *
// * institutes,nor the agencies providing financial support for this *
// * work make any representation or warranty, express or implied, *
// * regarding this software system or assume any liability for its *
// * use. Please see the license in the file LICENSE and URL above *
// * for the full disclaimer and the limitation of liability. *
// * *
// * This code implementation is the result of the scientific and *
// * technical work of the GEANT4 collaboration. *
// * By using, copying, modifying or distributing the software (or *
// * any work based on the software) you agree to acknowledge its *
// * use in resulting scientific publications, and indicate your *
// * acceptance of all terms of the Geant4 Software license. *
// ********************************************************************
//
//
#include "G4DNAMillerGreenExcitationModel.hh"
#include "G4SystemOfUnits.hh"
#include "G4DNAChemistryManager.hh"
#include "G4DNAMolecularMaterial.hh"
#include "G4Exp.hh"
//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo....
using namespace std;
//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo....
G4DNAMillerGreenExcitationModel::G4DNAMillerGreenExcitationModel(const G4ParticleDefinition*,
const G4String& nam)
:G4VEmModel(nam),isInitialised(false)
{
fpMolWaterDensity = 0;
nLevels=0;
kineticEnergyCorrection[0]=0.;
kineticEnergyCorrection[1]=0.;
kineticEnergyCorrection[2]=0.;
kineticEnergyCorrection[3]=0.;
verboseLevel= 0;
// Verbosity scale:
// 0 = nothing
// 1 = warning for energy non-conservation
// 2 = details of energy budget
// 3 = calculation of cross sections, file openings, sampling of atoms
// 4 = entering in methods
if( verboseLevel>0 )
{
G4cout << "Miller & Green excitation model is constructed " << G4endl;
}
fParticleChangeForGamma = 0;
// Selection of stationary mode
statCode = false;
}
//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo....
G4DNAMillerGreenExcitationModel::~G4DNAMillerGreenExcitationModel()
{}
//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo....
void G4DNAMillerGreenExcitationModel::Initialise(const G4ParticleDefinition* particle,
const G4DataVector& /*cuts*/)
{
if (verboseLevel > 3)
G4cout << "Calling G4DNAMillerGreenExcitationModel::Initialise()" << G4endl;
// Energy limits
G4DNAGenericIonsManager *instance;
instance = G4DNAGenericIonsManager::Instance();
G4ParticleDefinition* protonDef = G4Proton::ProtonDefinition();
G4ParticleDefinition* hydrogenDef = instance->GetIon("hydrogen");
G4ParticleDefinition* alphaPlusPlusDef = instance->GetIon("alpha++");
G4ParticleDefinition* alphaPlusDef = instance->GetIon("alpha+");
G4ParticleDefinition* heliumDef = instance->GetIon("helium");
G4String proton;
G4String hydrogen;
G4String alphaPlusPlus;
G4String alphaPlus;
G4String helium;
// LIMITS AND CONSTANTS
proton = protonDef->GetParticleName();
lowEnergyLimit[proton] = 10. * eV;
highEnergyLimit[proton] = 500. * keV;
kineticEnergyCorrection[0] = 1.;
slaterEffectiveCharge[0][0] = 0.;
slaterEffectiveCharge[1][0] = 0.;
slaterEffectiveCharge[2][0] = 0.;
sCoefficient[0][0] = 0.;
sCoefficient[1][0] = 0.;
sCoefficient[2][0] = 0.;
hydrogen = hydrogenDef->GetParticleName();
lowEnergyLimit[hydrogen] = 10. * eV;
highEnergyLimit[hydrogen] = 500. * keV;
kineticEnergyCorrection[0] = 1.;
slaterEffectiveCharge[0][0] = 0.;
slaterEffectiveCharge[1][0] = 0.;
slaterEffectiveCharge[2][0] = 0.;
sCoefficient[0][0] = 0.;
sCoefficient[1][0] = 0.;
sCoefficient[2][0] = 0.;
alphaPlusPlus = alphaPlusPlusDef->GetParticleName();
lowEnergyLimit[alphaPlusPlus] = 1. * keV;
highEnergyLimit[alphaPlusPlus] = 400. * MeV;
kineticEnergyCorrection[1] = 0.9382723/3.727417;
slaterEffectiveCharge[0][1]=0.;
slaterEffectiveCharge[1][1]=0.;
slaterEffectiveCharge[2][1]=0.;
sCoefficient[0][1]=0.;
sCoefficient[1][1]=0.;
sCoefficient[2][1]=0.;
alphaPlus = alphaPlusDef->GetParticleName();
lowEnergyLimit[alphaPlus] = 1. * keV;
highEnergyLimit[alphaPlus] = 400. * MeV;
kineticEnergyCorrection[2] = 0.9382723/3.727417;
slaterEffectiveCharge[0][2]=2.0;
// Following values provided by M. Dingfelder
slaterEffectiveCharge[1][2]=2.00;
slaterEffectiveCharge[2][2]=2.00;
//
sCoefficient[0][2]=0.7;
sCoefficient[1][2]=0.15;
sCoefficient[2][2]=0.15;
helium = heliumDef->GetParticleName();
lowEnergyLimit[helium] = 1. * keV;
highEnergyLimit[helium] = 400. * MeV;
kineticEnergyCorrection[3] = 0.9382723/3.727417;
slaterEffectiveCharge[0][3]=1.7;
slaterEffectiveCharge[1][3]=1.15;
slaterEffectiveCharge[2][3]=1.15;
sCoefficient[0][3]=0.5;
sCoefficient[1][3]=0.25;
sCoefficient[2][3]=0.25;
//
if (particle==protonDef)
{
SetLowEnergyLimit(lowEnergyLimit[proton]);
SetHighEnergyLimit(highEnergyLimit[proton]);
}
if (particle==hydrogenDef)
{
SetLowEnergyLimit(lowEnergyLimit[hydrogen]);
SetHighEnergyLimit(highEnergyLimit[hydrogen]);
}
if (particle==alphaPlusPlusDef)
{
SetLowEnergyLimit(lowEnergyLimit[alphaPlusPlus]);
SetHighEnergyLimit(highEnergyLimit[alphaPlusPlus]);
}
if (particle==alphaPlusDef)
{
SetLowEnergyLimit(lowEnergyLimit[alphaPlus]);
SetHighEnergyLimit(highEnergyLimit[alphaPlus]);
}
if (particle==heliumDef)
{
SetLowEnergyLimit(lowEnergyLimit[helium]);
SetHighEnergyLimit(highEnergyLimit[helium]);
}
//
nLevels = waterExcitation.NumberOfLevels();
//
if( verboseLevel>0 )
{
G4cout << "Miller & Green excitation model is initialized " << G4endl
<< "Energy range: "
<< LowEnergyLimit() / eV << " eV - "
<< HighEnergyLimit() / keV << " keV for "
<< particle->GetParticleName()
<< G4endl;
}
// Initialize water density pointer
fpMolWaterDensity = G4DNAMolecularMaterial::Instance()->GetNumMolPerVolTableFor(G4Material::GetMaterial("G4_WATER"));
if (isInitialised) { return; }
fParticleChangeForGamma = GetParticleChangeForGamma();
isInitialised = true;
}
//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo....
G4double G4DNAMillerGreenExcitationModel::CrossSectionPerVolume(const G4Material* material,
const G4ParticleDefinition* particleDefinition,
G4double k,
G4double,
G4double)
{
if (verboseLevel > 3)
G4cout << "Calling CrossSectionPerVolume() of G4DNAMillerGreenExcitationModel" << G4endl;
// Calculate total cross section for model
G4DNAGenericIonsManager *instance;
instance = G4DNAGenericIonsManager::Instance();
if (
particleDefinition != G4Proton::ProtonDefinition()
&&
particleDefinition != instance->GetIon("hydrogen")
&&
particleDefinition != instance->GetIon("alpha++")
&&
particleDefinition != instance->GetIon("alpha+")
&&
particleDefinition != instance->GetIon("helium")
)
return 0;
G4double lowLim = 0;
G4double highLim = 0;
G4double crossSection = 0.;
G4double waterDensity = (*fpMolWaterDensity)[material->GetIndex()];
const G4String& particleName = particleDefinition->GetParticleName();
std::map< G4String,G4double,std::less<G4String> >::iterator pos1;
pos1 = lowEnergyLimit.find(particleName);
if (pos1 != lowEnergyLimit.end())
{
lowLim = pos1->second;
}
std::map< G4String,G4double,std::less<G4String> >::iterator pos2;
pos2 = highEnergyLimit.find(particleName);
if (pos2 != highEnergyLimit.end())
{
highLim = pos2->second;
}
if (k >= lowLim && k <= highLim)
{
crossSection = Sum(k,particleDefinition);
// add ONE or TWO electron-water excitation for alpha+ and helium
/*
if ( particleDefinition == instance->GetIon("alpha+")
||
particleDefinition == instance->GetIon("helium")
)
{
G4DNAEmfietzoglouExcitationModel * excitationXS = new G4DNAEmfietzoglouExcitationModel();
excitationXS->Initialise(G4Electron::ElectronDefinition());
G4double sigmaExcitation=0;
G4double tmp =0.;
if (k*0.511/3728 > 8.23*eV && k*0.511/3728 < 10*MeV ) sigmaExcitation =
excitationXS->CrossSectionPerVolume(material,G4Electron::ElectronDefinition(),k*0.511/3728,tmp,tmp)
/material->GetAtomicNumDensityVector()[1];
if ( particleDefinition == instance->GetIon("alpha+") )
crossSection = crossSection + sigmaExcitation ;
if ( particleDefinition == instance->GetIon("helium") )
crossSection = crossSection + 2*sigmaExcitation ;
delete excitationXS;
// Alternative excitation model
G4DNABornExcitationModel * excitationXS = new G4DNABornExcitationModel();
excitationXS->Initialise(G4Electron::ElectronDefinition());
G4double sigmaExcitation=0;
G4double tmp=0;
if (k*0.511/3728 > 9*eV && k*0.511/3728 < 1*MeV ) sigmaExcitation =
excitationXS->CrossSectionPerVolume(material,G4Electron::ElectronDefinition(),k*0.511/3728,tmp,tmp)
/material->GetAtomicNumDensityVector()[1];
if ( particleDefinition == instance->GetIon("alpha+") )
crossSection = crossSection + sigmaExcitation ;
if ( particleDefinition == instance->GetIon("helium") )
crossSection = crossSection + 2*sigmaExcitation ;
delete excitationXS;
}
*/
}
if (verboseLevel > 2)
{
G4cout << "__________________________________" << G4endl;
G4cout << "G4DNAMillerGreenExcitationModel - XS INFO START" << G4endl;
G4cout << "Kinetic energy(eV)=" << k/eV << " particle : " << particleDefinition->GetParticleName() << G4endl;
G4cout << "Cross section per water molecule (cm^2)=" << crossSection/cm/cm << G4endl;
G4cout << "Cross section per water molecule (cm^-1)=" << crossSection*waterDensity/(1./cm) << G4endl;
// G4cout << " - Cross section per water molecule (cm^-1)=" << sigma*material->GetAtomicNumDensityVector()[1]/(1./cm) << G4endl;
G4cout << "G4DNAMillerGreenExcitationModel - XS INFO END" << G4endl;
}
return crossSection*waterDensity;
}
//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo....
void G4DNAMillerGreenExcitationModel::SampleSecondaries(std::vector<G4DynamicParticle*>* /*fvect*/,
const G4MaterialCutsCouple* /*couple*/,
const G4DynamicParticle* aDynamicParticle,
G4double,
G4double)
{
if (verboseLevel > 3)
G4cout << "Calling SampleSecondaries() of G4DNAMillerGreenExcitationModel" << G4endl;
G4double particleEnergy0 = aDynamicParticle->GetKineticEnergy();
G4int level = RandomSelect(particleEnergy0,aDynamicParticle->GetDefinition());
// Dingfelder's excitation levels
const G4double excitation[]={ 8.17*eV, 10.13*eV, 11.31*eV, 12.91*eV, 14.50*eV};
G4double excitationEnergy = excitation[level];
G4double newEnergy = 0.;
if (!statCode) newEnergy = particleEnergy0 - excitationEnergy;
else newEnergy = particleEnergy0;
if (newEnergy>0)
{
fParticleChangeForGamma->ProposeMomentumDirection(aDynamicParticle->GetMomentumDirection());
fParticleChangeForGamma->SetProposedKineticEnergy(newEnergy);
fParticleChangeForGamma->ProposeLocalEnergyDeposit(excitationEnergy);
const G4Track * theIncomingTrack = fParticleChangeForGamma->GetCurrentTrack();
G4DNAChemistryManager::Instance()->CreateWaterMolecule(eExcitedMolecule,
level, theIncomingTrack);
}
}
//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
G4double G4DNAMillerGreenExcitationModel::GetPartialCrossSection(const G4Material*,
G4int level,
const G4ParticleDefinition* particleDefinition,
G4double kineticEnergy)
{
return PartialCrossSection(kineticEnergy, level, particleDefinition);
}
//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
G4double G4DNAMillerGreenExcitationModel::PartialCrossSection(G4double k, G4int excitationLevel,
const G4ParticleDefinition* particleDefinition)
{
// ( ( z * aj ) ^ omegaj ) * ( t - ej ) ^ nu
// sigma(t) = zEff^2 * sigma0 * --------------------------------------------
// jj ^ ( omegaj + nu ) + t ^ ( omegaj + nu )
//
// where t is the kinetic energy corrected by Helium mass over proton mass for Helium ions
//
// zEff is:
// 1 for protons
// 2 for alpha++
// and 2 - c1 S_1s - c2 S_2s - c3 S_2p for alpha+ and He
//
// Dingfelder et al., RPC 59, 255-275, 2000 from Miller and Green (1973)
// Formula (34) and Table 2
const G4double sigma0(1.E+8 * barn);
const G4double nu(1.);
const G4double aj[]={876.*eV, 2084.* eV, 1373.*eV, 692.*eV, 900.*eV};
const G4double jj[]={19820.*eV, 23490.*eV, 27770.*eV, 30830.*eV, 33080.*eV};
const G4double omegaj[]={0.85, 0.88, 0.88, 0.78, 0.78};
// Dingfelder's excitation levels
const G4double Eliq[5]={ 8.17*eV, 10.13*eV, 11.31*eV, 12.91*eV, 14.50*eV};
G4int particleTypeIndex = 0;
G4DNAGenericIonsManager* instance;
instance = G4DNAGenericIonsManager::Instance();
if (particleDefinition == G4Proton::ProtonDefinition()) particleTypeIndex=0;
if (particleDefinition == instance->GetIon("hydrogen")) particleTypeIndex=0;
if (particleDefinition == instance->GetIon("alpha++")) particleTypeIndex=1;
if (particleDefinition == instance->GetIon("alpha+")) particleTypeIndex=2;
if (particleDefinition == instance->GetIon("helium")) particleTypeIndex=3;
G4double tCorrected;
tCorrected = k * kineticEnergyCorrection[particleTypeIndex];
// SI - added protection
if (tCorrected < Eliq[excitationLevel]) return 0;
//
G4int z = 10;
G4double numerator;
numerator = std::pow(z * aj[excitationLevel], omegaj[excitationLevel]) *
std::pow(tCorrected - Eliq[excitationLevel], nu);
// H case : see S. Uehara et al. IJRB 77, 2, 139-154 (2001) - section 3.3
if (particleDefinition == instance->GetIon("hydrogen"))
numerator = std::pow(z * 0.75*aj[excitationLevel], omegaj[excitationLevel]) *
std::pow(tCorrected - Eliq[excitationLevel], nu);
G4double power;
power = omegaj[excitationLevel] + nu;
G4double denominator;
denominator = std::pow(jj[excitationLevel], power) + std::pow(tCorrected, power);
G4double zEff = particleDefinition->GetPDGCharge() / eplus + particleDefinition->GetLeptonNumber();
zEff -= ( sCoefficient[0][particleTypeIndex] * S_1s(k, Eliq[excitationLevel], slaterEffectiveCharge[0][particleTypeIndex], 1.) +
sCoefficient[1][particleTypeIndex] * S_2s(k, Eliq[excitationLevel], slaterEffectiveCharge[1][particleTypeIndex], 2.) +
sCoefficient[2][particleTypeIndex] * S_2p(k, Eliq[excitationLevel], slaterEffectiveCharge[2][particleTypeIndex], 2.) );
if (particleDefinition == instance->GetIon("hydrogen")) zEff = 1.;
G4double cross = sigma0 * zEff * zEff * numerator / denominator;
return cross;
}
//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
G4int G4DNAMillerGreenExcitationModel::RandomSelect(G4double k,const G4ParticleDefinition* particle)
{
G4int i = nLevels;
G4double value = 0.;
std::deque<G4double> values;
G4DNAGenericIonsManager *instance;
instance = G4DNAGenericIonsManager::Instance();
if ( particle == instance->GetIon("alpha++") ||
particle == G4Proton::ProtonDefinition()||
particle == instance->GetIon("hydrogen") ||
particle == instance->GetIon("alpha+") ||
particle == instance->GetIon("helium")
)
{
while (i > 0)
{
i--;
G4double partial = PartialCrossSection(k,i,particle);
values.push_front(partial);
value += partial;
}
value *= G4UniformRand();
i = nLevels;
while (i > 0)
{
i--;
if (values[i] > value) return i;
value -= values[i];
}
}
/*
// add ONE or TWO electron-water excitation for alpha+ and helium
if ( particle == instance->GetIon("alpha+")
||
particle == instance->GetIon("helium")
)
{
while (i>0)
{
i--;
G4DNAEmfietzoglouExcitationModel * excitationXS = new G4DNAEmfietzoglouExcitationModel();
excitationXS->Initialise(G4Electron::ElectronDefinition());
G4double sigmaExcitation=0;
if (k*0.511/3728 > 8.23*eV && k*0.511/3728 < 10*MeV ) sigmaExcitation = excitationXS->PartialCrossSection(k*0.511/3728,i);
G4double partial = PartialCrossSection(k,i,particle);
if (particle == instance->GetIon("alpha+")) partial = PartialCrossSection(k,i,particle) + sigmaExcitation;
if (particle == instance->GetIon("helium")) partial = PartialCrossSection(k,i,particle) + 2*sigmaExcitation;
values.push_front(partial);
value += partial;
delete excitationXS;
}
value*=G4UniformRand();
i=5;
while (i>0)
{
i--;
if (values[i]>value) return i;
value-=values[i];
}
}
*/
return 0;
}
//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
G4double G4DNAMillerGreenExcitationModel::Sum(G4double k, const G4ParticleDefinition* particle)
{
G4double totalCrossSection = 0.;
for (G4int i=0; i<nLevels; i++)
{
totalCrossSection += PartialCrossSection(k,i,particle);
}
return totalCrossSection;
}
//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
G4double G4DNAMillerGreenExcitationModel::S_1s(G4double t,
G4double energyTransferred,
G4double _slaterEffectiveCharge,
G4double shellNumber)
{
// 1 - e^(-2r) * ( 1 + 2 r + 2 r^2)
// Dingfelder, in Chattanooga 2005 proceedings, formula (7)
G4double r = R(t, energyTransferred, _slaterEffectiveCharge, shellNumber);
G4double value = 1. - G4Exp(-2 * r) * ( ( 2. * r + 2. ) * r + 1. );
return value;
}
//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
G4double G4DNAMillerGreenExcitationModel::S_2s(G4double t,
G4double energyTransferred,
G4double _slaterEffectiveCharge,
G4double shellNumber)
{
// 1 - e^(-2 r) * ( 1 + 2 r + 2 r^2 + 2 r^4)
// Dingfelder, in Chattanooga 2005 proceedings, formula (8)
G4double r = R(t, energyTransferred, _slaterEffectiveCharge, shellNumber);
G4double value = 1. - G4Exp(-2 * r) * (((2. * r * r + 2.) * r + 2.) * r + 1.);
return value;
}
//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
G4double G4DNAMillerGreenExcitationModel::S_2p(G4double t,
G4double energyTransferred,
G4double _slaterEffectiveCharge,
G4double shellNumber)
{
// 1 - e^(-2 r) * ( 1 + 2 r + 2 r^2 + 4/3 r^3 + 2/3 r^4)
// Dingfelder, in Chattanooga 2005 proceedings, formula (9)
G4double r = R(t, energyTransferred, _slaterEffectiveCharge, shellNumber);
G4double value = 1. - G4Exp(-2 * r) * (((( 2./3. * r + 4./3.) * r + 2.) * r + 2.) * r + 1.);
return value;
}
//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
G4double G4DNAMillerGreenExcitationModel::R(G4double t,
G4double energyTransferred,
G4double _slaterEffectiveCharge,
G4double shellNumber)
{
// tElectron = m_electron / m_alpha * t
// Dingfelder, in Chattanooga 2005 proceedings, p 4
G4double tElectron = 0.511/3728. * t;
// The following is provided by M. Dingfelder
G4double H = 2.*13.60569172 * eV;
G4double value = std::sqrt ( 2. * tElectron / H ) / ( energyTransferred / H ) * (_slaterEffectiveCharge/shellNumber);
return value;
}
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