G4DNAEmfietzoglouExcitationModel.cc

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// $Id: G4DNAEmfietzoglouExcitationModel.cc 70171 2013-05-24 13:34:18Z gcosmo $
//

#include "G4DNAEmfietzoglouExcitationModel.hh"
#include "G4PhysicalConstants.hh"
#include "G4SystemOfUnits.hh"
#include "G4DNAChemistryManager.hh"
#include "G4DNAMolecularMaterial.hh"

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using namespace std;

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G4DNAEmfietzoglouExcitationModel::G4DNAEmfietzoglouExcitationModel(const G4ParticleDefinition*,
                                                                   const G4String& nam)
    :G4VEmModel(nam),isInitialised(false)
{
    //  nistwater = G4NistManager::Instance()->FindOrBuildMaterial("G4_WATER");
    fpWaterDensity = 0;

    lowEnergyLimit = 8.23 * eV;
    highEnergyLimit = 10 * MeV;
    SetLowEnergyLimit(lowEnergyLimit);
    SetHighEnergyLimit(highEnergyLimit);

    nLevels = waterExcitation.NumberOfLevels();

    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 > 3)
        if( verboseLevel>0 )
        {
            G4cout << "Emfietzoglou Excitation model is constructed " << G4endl
                   << "Energy range: "
                   << lowEnergyLimit / eV << " eV - "
                   << highEnergyLimit / MeV << " MeV"
                   << G4endl;
        }
    fParticleChangeForGamma = 0;
}

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G4DNAEmfietzoglouExcitationModel::~G4DNAEmfietzoglouExcitationModel()
{}

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void G4DNAEmfietzoglouExcitationModel::Initialise(const G4ParticleDefinition* /*particle*/,
                                                  const G4DataVector& /*cuts*/)
{

    if (verboseLevel > 3)
        G4cout << "Calling G4DNAEmfietzoglouExcitationModel::Initialise()" << G4endl;

    // Energy limits

    if (LowEnergyLimit() < lowEnergyLimit)
    {
        G4cout << "G4DNAEmfietzoglouExcitationModel: low energy limit increased from " <<
                  LowEnergyLimit()/eV << " eV to " << lowEnergyLimit/eV << " eV" << G4endl;
        SetLowEnergyLimit(lowEnergyLimit);
    }

    if (HighEnergyLimit() > highEnergyLimit)
    {
        G4cout << "G4DNAEmfietzoglouExcitationModel: high energy limit decreased from " <<
                  HighEnergyLimit()/MeV << " MeV to " << highEnergyLimit/MeV << " MeV" << G4endl;
        SetHighEnergyLimit(highEnergyLimit);
    }

    //
    if( verboseLevel>0 )
    {
        G4cout << "Emfietzoglou Excitation model is initialized " << G4endl
               << "Energy range: "
               << LowEnergyLimit() / eV << " eV - "
               << HighEnergyLimit() / MeV << " MeV"
               << G4endl;
    }

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

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

}

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G4double G4DNAEmfietzoglouExcitationModel::CrossSectionPerVolume(const G4Material* material,
                                                                 const G4ParticleDefinition* particleDefinition,
                                                                 G4double ekin,
                                                                 G4double,
                                                                 G4double)
{
    if (verboseLevel > 3)
        G4cout << "Calling CrossSectionPerVolume() of G4DNAEmfietzoglouExcitationModel" << G4endl;

    // Calculate total cross section for model

    G4double sigma=0;

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

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

        if (particleDefinition == G4Electron::ElectronDefinition())
        {
            if (ekin >= lowEnergyLimit && ekin < highEnergyLimit)
            {
                sigma = Sum(ekin);
            }
        }

        if (verboseLevel > 2)
        {
            G4cout << "__________________________________" << G4endl;
            G4cout << "°°° G4DNAEmfietzoglouExcitationModel - XS INFO START" << G4endl;
            G4cout << "°°° Kinetic energy(eV)=" << ekin/eV << " particle : " << particleDefinition->GetParticleName() << G4endl;
            G4cout << "°°° Cross section per water molecule (cm^2)=" << sigma/cm/cm << G4endl;
            G4cout << "°°° Cross section per water molecule (cm^-1)=" << sigma*waterDensity/(1./cm) << G4endl;
            //      G4cout << " - Cross section per water molecule (cm^-1)=" << sigma*material->GetAtomicNumDensityVector()[1]/(1./cm) << G4endl;
            G4cout << "°°° G4DNAEmfietzoglouExcitationModel - XS INFO END" << G4endl;
        }

    }

    return sigma*material->GetAtomicNumDensityVector()[1];
}

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void G4DNAEmfietzoglouExcitationModel::SampleSecondaries(std::vector<G4DynamicParticle*>* /*fvect*/,
                                                         const G4MaterialCutsCouple* /*couple*/,
                                                         const G4DynamicParticle* aDynamicElectron,
                                                         G4double,
                                                         G4double)
{

    if (verboseLevel > 3)
        G4cout << "Calling SampleSecondaries() of G4DNAEmfietzoglouExcitationModel" << G4endl;

    G4double electronEnergy0 = aDynamicElectron->GetKineticEnergy();

    G4int level = RandomSelect(electronEnergy0);

    G4double excitationEnergy = waterExcitation.ExcitationEnergy(level);
    G4double newEnergy = electronEnergy0 - excitationEnergy;

    if (electronEnergy0 < highEnergyLimit)
    {
            fParticleChangeForGamma->ProposeMomentumDirection(aDynamicElectron->GetMomentumDirection());
            fParticleChangeForGamma->SetProposedKineticEnergy(newEnergy);
            fParticleChangeForGamma->ProposeLocalEnergyDeposit(excitationEnergy);

        const G4Track * theIncomingTrack = fParticleChangeForGamma->GetCurrentTrack();
        G4DNAChemistryManager::Instance()->CreateWaterMolecule(eExcitedMolecule,
                                                               level,
                                                               theIncomingTrack);
    }
}

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G4double G4DNAEmfietzoglouExcitationModel::PartialCrossSection(G4double t, G4int level)
{
    //                 Aj                        T
    // Sigma(T) = ------------- (Bj /  T) ln(Cj ---) [1 - Bj / T]^Pj
    //             2 pi alpha0                   R
    //
    // Sigma is the macroscopic cross section = N sigma, where N = number of target particles per unit volume
    // and sigma is the microscopic cross section
    // T      is the incoming electron kinetic energy
    // alpha0 is the Bohr Radius (Bohr_radius)
    // Aj, Bj, Cj & Pj are parameters that can be found in Emfietzoglou's papers
    //
    // From Phys. Med. Biol. 48 (2003) 2355-2371, D.Emfietzoglou,
    // Monte Carlo Simulation of the energy loss of low energy electrons in liquid Water
    //
    // Scaling for macroscopic cross section: number of water moleculs per unit volume
    // const G4double sigma0 = (10. / 3.343e22) * cm2;

    const G4double density = 3.34192e+19 * mm3;

    const G4double aj[]={0.0205, 0.0209, 0.0130, 0.0026, 0.0025};
    const G4double cj[]={4.9801, 3.3850, 2.8095, 1.9242, 3.4624};
    const G4double pj[]={0.4757, 0.3483, 0.4443, 0.3429, 0.4379};
    const G4double r = 13.6 * eV;

    G4double sigma = 0.;

    G4double exc = waterExcitation.ExcitationEnergy(level);

    if (t >= exc)
    {
        G4double excitationSigma = ( aj[level] / (2.*pi*Bohr_radius))
                * (exc / t)
                * std::log(cj[level]*(t/r))
                * std::pow((1.- (exc/t)), pj[level]);
        sigma = excitationSigma / density;
    }

    return sigma;
}

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G4int G4DNAEmfietzoglouExcitationModel::RandomSelect(G4double k)
{
    G4int i = nLevels;
    G4double value = 0.;
    std::deque<double> values;

    while (i > 0)
    {
        i--;
        G4double partial = PartialCrossSection(k,i);
        values.push_front(partial);
        value += partial;
    }

    value *= G4UniformRand();
    
    i = nLevels;

    while (i > 0)
    {
        i--;
        if (values[i] > value) return i;
        value -= values[i];
    }
    
    return 0;
}

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G4double G4DNAEmfietzoglouExcitationModel::Sum(G4double k)
{
    G4double totalCrossSection = 0.;

    for (G4int i=0; i<nLevels; i++)
    {
        totalCrossSection += PartialCrossSection(k,i);
    }
    return totalCrossSection;
}