G4DNADingfelderChargeDecreaseModel.cc

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#include "G4DNADingfelderChargeDecreaseModel.hh"
#include "G4PhysicalConstants.hh"
#include "G4SystemOfUnits.hh"
#include "G4DNAMolecularMaterial.hh"

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using namespace std;

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G4DNADingfelderChargeDecreaseModel::G4DNADingfelderChargeDecreaseModel(const G4ParticleDefinition*,
                                                                       const G4String& nam)
    :G4VEmModel(nam),isInitialised(false)
{
    //  nistwater = G4NistManager::Instance()->FindOrBuildMaterial("G4_WATER");
    fpMolWaterDensity = 0;
    numberOfPartialCrossSections[0] = 0;
    numberOfPartialCrossSections[1] = 0;
    numberOfPartialCrossSections[2] = 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 << "Dingfelder charge decrease model is constructed " << G4endl;
    }
    fParticleChangeForGamma = 0;
}

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G4DNADingfelderChargeDecreaseModel::~G4DNADingfelderChargeDecreaseModel()
{}

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void G4DNADingfelderChargeDecreaseModel::Initialise(const G4ParticleDefinition* particle,
                                                    const G4DataVector& /*cuts*/)
{

    if (verboseLevel > 3)
        G4cout << "Calling G4DNADingfelderChargeDecreaseModel::Initialise()" << G4endl;

    // Energy limits

    G4DNAGenericIonsManager *instance;
    instance = G4DNAGenericIonsManager::Instance();
    G4ParticleDefinition* protonDef = G4Proton::ProtonDefinition();
    G4ParticleDefinition* alphaPlusPlusDef = instance->GetIon("alpha++");
    G4ParticleDefinition* alphaPlusDef = instance->GetIon("alpha+");

    G4String proton;
    G4String alphaPlusPlus;
    G4String alphaPlus;

    // LIMITS

    proton = protonDef->GetParticleName();
    lowEnergyLimit[proton] = 100. * eV;
    highEnergyLimit[proton] = 100. * MeV;

    alphaPlusPlus = alphaPlusPlusDef->GetParticleName();
    lowEnergyLimit[alphaPlusPlus] = 1. * keV;
    highEnergyLimit[alphaPlusPlus] = 400. * MeV;

    alphaPlus = alphaPlusDef->GetParticleName();
    lowEnergyLimit[alphaPlus] = 1. * keV;
    highEnergyLimit[alphaPlus] = 400. * MeV;

    //

    if (particle==protonDef)
    {
        SetLowEnergyLimit(lowEnergyLimit[proton]);
        SetHighEnergyLimit(highEnergyLimit[proton]);
    }

    if (particle==alphaPlusPlusDef)
    {
        SetLowEnergyLimit(lowEnergyLimit[alphaPlusPlus]);
        SetHighEnergyLimit(highEnergyLimit[alphaPlusPlus]);
    }

    if (particle==alphaPlusDef)
    {
        SetLowEnergyLimit(lowEnergyLimit[alphaPlus]);
        SetHighEnergyLimit(highEnergyLimit[alphaPlus]);
    }

    // Final state

    //PROTON
    f0[0][0]=1.;
    a0[0][0]=-0.180;
    a1[0][0]=-3.600;
    b0[0][0]=-18.22;
    b1[0][0]=-1.997;
    c0[0][0]=0.215;
    d0[0][0]=3.550;
    x0[0][0]=3.450;
    x1[0][0]=5.251;

    numberOfPartialCrossSections[0] = 1;

    //ALPHA++
    f0[0][1]=1.;  a0[0][1]=0.95;
    a1[0][1]=-2.75;
    b0[0][1]=-23.00;
    c0[0][1]=0.215;
    d0[0][1]=2.95;
    x0[0][1]=3.50;

    f0[1][1]=1.;
    a0[1][1]=0.95;
    a1[1][1]=-2.75;
    b0[1][1]=-23.73;
    c0[1][1]=0.250;
    d0[1][1]=3.55;
    x0[1][1]=3.72;

    x1[0][1]=-1.;
    b1[0][1]=-1.;

    x1[1][1]=-1.;
    b1[1][1]=-1.;

    numberOfPartialCrossSections[1] = 2;

    // ALPHA+
    f0[0][2]=1.;
    a0[0][2]=0.65;
    a1[0][2]=-2.75;
    b0[0][2]=-21.81;
    c0[0][2]=0.232;
    d0[0][2]=2.95;
    x0[0][2]=3.53;

    x1[0][2]=-1.;
    b1[0][2]=-1.;

    numberOfPartialCrossSections[2] = 1;

    //

    if( verboseLevel>0 )
    {
        G4cout << "Dingfelder charge decrease model is initialized " << G4endl
               << "Energy range: "
               << LowEnergyLimit() / keV << " keV - "
               << HighEnergyLimit() / MeV << " MeV for "
               << particle->GetParticleName()
               << G4endl;
    }

    // Initialize water density pointer
    fpMolWaterDensity = G4DNAMolecularMaterial::Instance()->GetNumMolPerVolTableFor(G4Material::GetMaterial("G4_WATER"));

    if (isInitialised) { return; }
    fParticleChangeForGamma = GetParticleChangeForGamma();
    isInitialised = true;

}

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G4double G4DNADingfelderChargeDecreaseModel::CrossSectionPerVolume(const G4Material* material,
                                                                   const G4ParticleDefinition* particleDefinition,
                                                                   G4double k,
                                                                   G4double,
                                                                   G4double)
{
    if (verboseLevel > 3)
        G4cout << "Calling CrossSectionPerVolume() of G4DNADingfelderChargeDecreaseModel" << G4endl;

    // Calculate total cross section for model

    G4DNAGenericIonsManager *instance;
    instance = G4DNAGenericIonsManager::Instance();

    if (
            particleDefinition != G4Proton::ProtonDefinition()
            &&
            particleDefinition != instance->GetIon("alpha++")
            &&
            particleDefinition != instance->GetIon("alpha+")
            )

        return 0;

    G4double lowLim = 0;
    G4double highLim = 0;
    G4double crossSection = 0.;

    G4double waterDensity = (*fpMolWaterDensity)[material->GetIndex()];

    if(waterDensity!= 0.0)
  //  if (material == nistwater || material->GetBaseMaterial() == nistwater)
    {
        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);
        }

        if (verboseLevel > 2)
        {
            G4cout << "_______________________________________" << G4endl;
            G4cout << "°°° G4DNADingfelderChargeDecreaeModel" << G4endl;
            G4cout << "---> Kinetic energy(eV)=" << k/eV << "particle :" << particleName << 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;
//            material->GetAtomicNumDensityVector()[1]/(1./cm) << G4endl;
        }
    }

    return crossSection*waterDensity;
//    return crossSection*material->GetAtomicNumDensityVector()[1];

}

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void G4DNADingfelderChargeDecreaseModel::SampleSecondaries(std::vector<G4DynamicParticle*>* fvect,
                                                           const G4MaterialCutsCouple* /*couple*/,
                                                           const G4DynamicParticle* aDynamicParticle,
                                                           G4double,
                                                           G4double)
{
    if (verboseLevel > 3)
        G4cout << "Calling SampleSecondaries() of G4DNADingfelderChargeDecreaseModel" << G4endl;

    G4double inK = aDynamicParticle->GetKineticEnergy();

    G4ParticleDefinition* definition = aDynamicParticle->GetDefinition();

    G4double particleMass = definition->GetPDGMass();

    G4int finalStateIndex = RandomSelect(inK,definition);

    G4int n = NumberOfFinalStates(definition, finalStateIndex);
    G4double waterBindingEnergy = WaterBindingEnergyConstant(definition, finalStateIndex);
    G4double outgoingParticleBindingEnergy = OutgoingParticleBindingEnergyConstant(definition, finalStateIndex);

    G4double outK = 0.;
    if (definition==G4Proton::Proton())
        outK = inK - n*(inK*electron_mass_c2/proton_mass_c2) - waterBindingEnergy + outgoingParticleBindingEnergy;
    else
        outK = inK - n*(inK*electron_mass_c2/particleMass) - waterBindingEnergy + outgoingParticleBindingEnergy;

    if (outK<0)
    {
        G4Exception("G4DNADingfelderChargeDecreaseModel::SampleSecondaries","em0004",
                    FatalException,"Final kinetic energy is negative.");
    }

    fParticleChangeForGamma->ProposeTrackStatus(fStopAndKill);
    fParticleChangeForGamma->ProposeLocalEnergyDeposit(waterBindingEnergy);

    G4DynamicParticle* dp = new G4DynamicParticle (OutgoingParticleDefinition(definition, finalStateIndex),
                                                   aDynamicParticle->GetMomentumDirection(),
                                                   outK) ;
    fvect->push_back(dp);

}

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G4int G4DNADingfelderChargeDecreaseModel::NumberOfFinalStates(G4ParticleDefinition* particleDefinition, 
                                                              G4int finalStateIndex )

{
    if (particleDefinition == G4Proton::Proton()) return 1;

    G4DNAGenericIonsManager*instance;
    instance = G4DNAGenericIonsManager::Instance();

    if (particleDefinition == instance->GetIon("alpha++") )
    {
        if (finalStateIndex==0)  return 1;
        return 2;
    }

    if (particleDefinition == instance->GetIon("alpha+") ) return 1;

    return 0;
}

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G4ParticleDefinition* G4DNADingfelderChargeDecreaseModel::OutgoingParticleDefinition (G4ParticleDefinition* particleDefinition, 
                                                                                      G4int finalStateIndex)
{
    G4DNAGenericIonsManager * instance(G4DNAGenericIonsManager::Instance());

    if (particleDefinition == G4Proton::Proton()) return instance->GetIon("hydrogen");

    if (particleDefinition == instance->GetIon("alpha++") )
    {
        if (finalStateIndex == 0) return instance->GetIon("alpha+");
        return instance->GetIon("helium");
    }

    if (particleDefinition == instance->GetIon("alpha+") ) return instance->GetIon("helium");

    return 0;
}

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G4double G4DNADingfelderChargeDecreaseModel::WaterBindingEnergyConstant(G4ParticleDefinition* particleDefinition, 
                                                                        G4int finalStateIndex )
{
    // Ionization energy of first water shell
    // Rad. Phys. Chem. 59 p.267 by Dingf. et al.
    // W + 10.79 eV -> W+ + e-

    G4DNAGenericIonsManager * instance(G4DNAGenericIonsManager::Instance());

    if(particleDefinition == G4Proton::Proton()) return 10.79*eV;

    if (particleDefinition == instance->GetIon("alpha++") )
    {
        // Binding energy for    W+ -> W++ + e-    10.79 eV
        // Binding energy for    W  -> W+  + e-    10.79 eV
        //
        // Ionization energy of first water shell
        // Rad. Phys. Chem. 59 p.267 by Dingf. et al.

        if (finalStateIndex == 0) return 10.79*eV;

        return 10.79*2*eV;
    }

    if (particleDefinition == instance->GetIon("alpha+") )
    {
        // Binding energy for    W+ -> W++ + e-    10.79 eV
        // Binding energy for    W  -> W+  + e-    10.79 eV
        //
        // Ionization energy of first water shell
        // Rad. Phys. Chem. 59 p.267 by Dingf. et al.

        return 10.79*eV;
    }

    return 0;
}

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G4double G4DNADingfelderChargeDecreaseModel::OutgoingParticleBindingEnergyConstant(G4ParticleDefinition* particleDefinition, 
                                                                                   G4int finalStateIndex)
{
    G4DNAGenericIonsManager * instance(G4DNAGenericIonsManager::Instance());

    if(particleDefinition == G4Proton::Proton()) return 13.6*eV;

    if (particleDefinition == instance->GetIon("alpha++") )
    {
        // Binding energy for    He+ -> He++ + e-    54.509 eV
        // Binding energy for    He  -> He+  + e-    24.587 eV

        if (finalStateIndex==0) return 54.509*eV;

        return (54.509 + 24.587)*eV;
    }

    if (particleDefinition == instance->GetIon("alpha+") )
    {
        // Binding energy for    He+ -> He++ + e-    54.509 eV
        // Binding energy for    He  -> He+  + e-    24.587 eV

        return 24.587*eV;
    }

    return 0;
}

//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......

G4double G4DNADingfelderChargeDecreaseModel::PartialCrossSection(G4double k, G4int index, 
                                                                 const G4ParticleDefinition* particleDefinition)
{
    G4int particleTypeIndex = 0;
    G4DNAGenericIonsManager* instance;
    instance = G4DNAGenericIonsManager::Instance();

    if (particleDefinition == G4Proton::ProtonDefinition()) particleTypeIndex=0;
    if (particleDefinition == instance->GetIon("alpha++")) particleTypeIndex=1;
    if (particleDefinition == instance->GetIon("alpha+")) particleTypeIndex=2;

    //
    // sigma(T) = f0 10 ^ y(log10(T/eV))
    //
    //         /  a0 x + b0                    x < x0
    //         |
    // y(x) = <   a0 x + b0 - c0 (x - x0)^d0   x0 <= x < x1
    //         |
    //         \  a1 x + b1                    x >= x1
    //
    //
    // f0, a0, a1, b0, b1, c0, d0, x0, x1 are parameters that change for protons and helium (0, +, ++)
    //
    // f0 has been added to the code in order to manage partial (shell-dependent) cross sections (if no shell dependence is present. f0=1. Sum of f0 over the considered shells should give 1)
    //
    // From Rad. Phys. and Chem. 59 (2000) 255-275, M. Dingfelder et al.
    // Inelastic-collision cross sections of liquid water for interactions of energetic proton
    //

    if (x1[index][particleTypeIndex]<x0[index][particleTypeIndex])
    {
        //
        // if x1 < x0 means that x1 and b1 will be calculated with the following formula (this piece of code is run on all alphas and not on protons)
        //
        // x1 = x0 + ((a0 - a1)/(c0 * d0)) ^ (1 / (d0 - 1))
        //
        // b1 = (a0 - a1) * x1 + b0 - c0 * (x1 - x0) ^ d0
        //

        x1[index][particleTypeIndex]=x0[index][particleTypeIndex] + std::pow((a0[index][particleTypeIndex] - a1[index][particleTypeIndex])
                                                                             / (c0[index][particleTypeIndex] * d0[index][particleTypeIndex]), 1. / (d0[index][particleTypeIndex] - 1.));
        b1[index][particleTypeIndex]=(a0[index][particleTypeIndex] - a1[index][particleTypeIndex]) * x1[index][particleTypeIndex]
                + b0[index][particleTypeIndex] - c0[index][particleTypeIndex] * std::pow(x1[index][particleTypeIndex]
                                                                                         - x0[index][particleTypeIndex], d0[index][particleTypeIndex]);
    }

    G4double x(std::log10(k/eV));
    G4double y;

    if (x<x0[index][particleTypeIndex])
        y=a0[index][particleTypeIndex] * x + b0[index][particleTypeIndex];
    else if (x<x1[index][particleTypeIndex])
        y=a0[index][particleTypeIndex] * x + b0[index][particleTypeIndex] - c0[index][particleTypeIndex]
                * std::pow(x - x0[index][particleTypeIndex], d0[index][particleTypeIndex]);
    else
        y=a1[index][particleTypeIndex] * x + b1[index][particleTypeIndex];

    return f0[index][particleTypeIndex] * std::pow(10., y)*m*m;

}

G4int G4DNADingfelderChargeDecreaseModel::RandomSelect(G4double k, 
                                                       const G4ParticleDefinition* particleDefinition)
{
    G4int particleTypeIndex = 0;
    G4DNAGenericIonsManager *instance;
    instance = G4DNAGenericIonsManager::Instance();

    if (particleDefinition == G4Proton::ProtonDefinition()) particleTypeIndex = 0;
    if (particleDefinition == instance->GetIon("alpha++")) particleTypeIndex = 1;
    if (particleDefinition == instance->GetIon("alpha+")) particleTypeIndex = 2;

    const G4int n = numberOfPartialCrossSections[particleTypeIndex];
    G4double* values(new G4double[n]);
    G4double value(0);
    G4int i = n;

    while (i>0)
    {
        i--;
        values[i]=PartialCrossSection(k, i, particleDefinition);
        value+=values[i];
    }

    value*=G4UniformRand();

    i=n;
    while (i>0)
    {
        i--;

        if (values[i]>value)
            break;

        value-=values[i];
    }

    delete[] values;

    return i;
}

//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......

G4double G4DNADingfelderChargeDecreaseModel::Sum(G4double k, const G4ParticleDefinition* particleDefinition)
{
    G4int particleTypeIndex = 0;
    G4DNAGenericIonsManager* instance;
    instance = G4DNAGenericIonsManager::Instance();

    if (particleDefinition == G4Proton::ProtonDefinition()) particleTypeIndex=0;
    if (particleDefinition == instance->GetIon("alpha++")) particleTypeIndex=1;
    if (particleDefinition == instance->GetIon("alpha+")) particleTypeIndex=2;

    G4double totalCrossSection = 0.;

    for (G4int i=0; i<numberOfPartialCrossSections[particleTypeIndex]; i++)
    {
        totalCrossSection += PartialCrossSection(k,i,particleDefinition);
    }
    return totalCrossSection;
}

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