1 | // |
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2 | // ******************************************************************** |
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3 | // * License and Disclaimer * |
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4 | // * * |
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5 | // * The Geant4 software is copyright of the Copyright Holders of * |
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6 | // * the Geant4 Collaboration. It is provided under the terms and * |
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7 | // * conditions of the Geant4 Software License, included in the file * |
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8 | // * LICENSE and available at http://cern.ch/geant4/license . These * |
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9 | // * include a list of copyright holders. * |
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10 | // * * |
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11 | // * Neither the authors of this software system, nor their employing * |
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12 | // * institutes,nor the agencies providing financial support for this * |
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13 | // * work make any representation or warranty, express or implied, * |
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14 | // * regarding this software system or assume any liability for its * |
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15 | // * use. Please see the license in the file LICENSE and URL above * |
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16 | // * for the full disclaimer and the limitation of liability. * |
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17 | // * * |
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18 | // * This code implementation is the result of the scientific and * |
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19 | // * technical work of the GEANT4 collaboration. * |
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20 | // * By using, copying, modifying or distributing the software (or * |
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21 | // * any work based on the software) you agree to acknowledge its * |
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22 | // * use in resulting scientific publications, and indicate your * |
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23 | // * acceptance of all terms of the Geant4 Software license. * |
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24 | // ******************************************************************** |
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25 | // |
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26 | // |
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27 | // $Id: G4FinalStateIonisationRudd.cc,v 1.5 2007/11/26 17:27:09 pia Exp $ |
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28 | // GEANT4 tag $Name: $ |
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29 | // |
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30 | // Contact Author: Sebastien Incerti (incerti@cenbg.in2p3.fr) |
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31 | // Maria Grazia Pia (Maria.Grazia.Pia@cern.ch) |
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32 | // |
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33 | /// |
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34 | // Reference: TNS Geant4-DNA paper |
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35 | // Reference for implementation model: NIM. 155, pp. 145-156, 1978 |
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36 | // |
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37 | // History: |
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38 | // ----------- |
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39 | // Date Name Modification |
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40 | // 28 Apr 2007 M.G. Pia Created in compliance with design described in TNS paper |
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41 | // Nov 2007 S. Incerti Implementation |
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42 | // 26 Nov 2007 MGP Cleaned up std:: |
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43 | // |
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44 | // ------------------------------------------------------------------- |
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45 | |
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46 | // Class description: |
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47 | // Reference: TNS Geant4-DNA paper |
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48 | // S. Chauvie et al., Geant4 physics processes for microdosimetry simulation: |
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49 | // design foundation and implementation of the first set of models, |
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50 | // IEEE Trans. Nucl. Sci., vol. 54, no. 6, Dec. 2007. |
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51 | // Further documentation available from http://www.ge.infn.it/geant4/dna |
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52 | |
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53 | // ------------------------------------------------------------------- |
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54 | |
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55 | |
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56 | #include "G4FinalStateIonisationRudd.hh" |
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57 | #include "G4Track.hh" |
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58 | #include "G4Step.hh" |
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59 | #include "G4DynamicParticle.hh" |
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60 | #include "Randomize.hh" |
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61 | |
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62 | #include "G4ParticleTypes.hh" |
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63 | #include "G4ParticleDefinition.hh" |
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64 | #include "G4Electron.hh" |
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65 | #include "G4Proton.hh" |
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66 | #include "G4SystemOfUnits.hh" |
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67 | #include "G4ParticleMomentum.hh" |
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68 | #include "G4DNAGenericIonsManager.hh" |
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69 | |
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70 | |
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71 | G4FinalStateIonisationRudd::G4FinalStateIonisationRudd() |
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72 | { |
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73 | name = "IonisationBorn"; |
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74 | // Default energy limits (defined for protection against anomalous behaviour only) |
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75 | lowEnergyLimitDefault = 100 * eV; |
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76 | highEnergyLimitDefault = 100 * MeV; |
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77 | |
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78 | G4DNAGenericIonsManager *instance; |
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79 | instance = G4DNAGenericIonsManager::Instance(); |
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80 | |
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81 | G4ParticleDefinition* protonDef = G4Proton::ProtonDefinition(); |
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82 | G4ParticleDefinition* hydrogenDef = instance->GetIon("hydrogen"); |
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83 | G4ParticleDefinition* alphaPlusPlusDef = instance->GetIon("alpha++"); |
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84 | G4ParticleDefinition* alphaPlusDef = instance->GetIon("alpha+"); |
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85 | G4ParticleDefinition* heliumDef = instance->GetIon("helium"); |
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86 | |
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87 | G4String proton; |
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88 | G4String hydrogen; |
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89 | G4String alphaPlusPlus; |
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90 | G4String alphaPlus; |
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91 | G4String helium; |
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92 | |
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93 | proton = protonDef->GetParticleName(); |
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94 | lowEnergyLimit[proton] = 100. * eV; |
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95 | highEnergyLimit[proton] = 500. * keV; |
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96 | |
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97 | hydrogen = hydrogenDef->GetParticleName(); |
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98 | lowEnergyLimit[hydrogen] = 100. * eV; |
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99 | highEnergyLimit[hydrogen] = 100. * MeV; |
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100 | |
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101 | alphaPlusPlus = alphaPlusPlusDef->GetParticleName(); |
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102 | lowEnergyLimit[alphaPlusPlus] = 1. * keV; |
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103 | highEnergyLimit[alphaPlusPlus] = 10. * MeV; |
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104 | |
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105 | alphaPlus = alphaPlusDef->GetParticleName(); |
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106 | lowEnergyLimit[alphaPlus] = 1. * keV; |
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107 | highEnergyLimit[alphaPlus] = 10. * MeV; |
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108 | |
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109 | helium = heliumDef->GetParticleName(); |
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110 | lowEnergyLimit[helium] = 1. * keV; |
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111 | highEnergyLimit[helium] = 10. * MeV; |
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112 | } |
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113 | |
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114 | |
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115 | G4FinalStateIonisationRudd::~G4FinalStateIonisationRudd() |
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116 | { } |
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117 | |
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118 | |
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119 | |
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120 | const G4FinalStateProduct& G4FinalStateIonisationRudd::GenerateFinalState(const G4Track& track, const G4Step& /* step */) |
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121 | { |
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122 | // Clear previous secondaries, energy deposit and particle kill status |
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123 | product.Clear(); |
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124 | |
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125 | const G4DynamicParticle* particle = track.GetDynamicParticle(); |
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126 | |
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127 | G4double lowLim = lowEnergyLimitDefault; |
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128 | G4double highLim = highEnergyLimitDefault; |
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129 | |
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130 | G4double k = particle->GetKineticEnergy(); |
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131 | |
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132 | const G4String& particleName = particle->GetDefinition()->GetParticleName(); |
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133 | |
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134 | // Retrieve energy limits for the current particle type |
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135 | |
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136 | std::map< G4String,G4double,std::less<G4String> >::iterator pos1; |
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137 | pos1 = lowEnergyLimit.find(particleName); |
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138 | |
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139 | // Lower limit |
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140 | if (pos1 != lowEnergyLimit.end()) |
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141 | { |
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142 | lowLim = pos1->second; |
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143 | } |
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144 | |
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145 | // Upper limit |
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146 | std::map< G4String,G4double,std::less<G4String> >::iterator pos2; |
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147 | pos2 = highEnergyLimit.find(particleName); |
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148 | |
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149 | if (pos2 != highEnergyLimit.end()) |
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150 | { |
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151 | highLim = pos2->second; |
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152 | } |
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153 | |
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154 | // Verify that the current track is within the energy limits of validity of the cross section model |
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155 | |
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156 | if (k >= lowLim && k <= highLim) |
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157 | { |
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158 | // Kinetic energy of primary particle |
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159 | |
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160 | G4ParticleDefinition* definition = particle->GetDefinition(); |
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161 | G4ParticleMomentum primaryDirection = particle->GetMomentumDirection(); |
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162 | G4double particleMass = definition->GetPDGMass(); |
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163 | G4double totalEnergy = k + particleMass; |
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164 | G4double pSquare = k*(totalEnergy+particleMass); |
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165 | G4double totalMomentum = std::sqrt(pSquare); |
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166 | |
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167 | const G4String& particleName = definition->GetParticleName(); |
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168 | |
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169 | G4int ionizationShell = cross.RandomSelect(k,particleName); |
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170 | |
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171 | G4double secondaryKinetic = RandomizeEjectedElectronEnergy(definition,k,ionizationShell); |
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172 | |
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173 | G4double bindingEnergy = waterStructure.IonisationEnergy(ionizationShell); |
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174 | |
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175 | G4double cosTheta = 0.; |
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176 | G4double phi = 0.; |
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177 | RandomizeEjectedElectronDirection(definition, k,secondaryKinetic, cosTheta, phi); |
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178 | |
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179 | G4double sinTheta = std::sqrt(1.-cosTheta*cosTheta); |
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180 | G4double dirX = sinTheta*std::cos(phi); |
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181 | G4double dirY = sinTheta*std::sin(phi); |
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182 | G4double dirZ = cosTheta; |
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183 | G4ThreeVector deltaDirection(dirX,dirY,dirZ); |
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184 | deltaDirection.rotateUz(primaryDirection); |
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185 | |
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186 | G4double deltaTotalMomentum = std::sqrt(secondaryKinetic*(secondaryKinetic + 2.*electron_mass_c2 )); |
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187 | |
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188 | // Primary Particle Direction |
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189 | G4double finalPx = totalMomentum*primaryDirection.x() - deltaTotalMomentum*deltaDirection.x(); |
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190 | G4double finalPy = totalMomentum*primaryDirection.y() - deltaTotalMomentum*deltaDirection.y(); |
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191 | G4double finalPz = totalMomentum*primaryDirection.z() - deltaTotalMomentum*deltaDirection.z(); |
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192 | G4double finalMomentum = std::sqrt(finalPx*finalPx+finalPy*finalPy+finalPz*finalPz); |
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193 | finalPx /= finalMomentum; |
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194 | finalPy /= finalMomentum; |
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195 | finalPz /= finalMomentum; |
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196 | |
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197 | product.ModifyPrimaryParticle(finalPx,finalPy,finalPz,k-bindingEnergy-secondaryKinetic); |
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198 | product.AddEnergyDeposit(bindingEnergy); |
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199 | |
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200 | G4DynamicParticle* aElectron = new G4DynamicParticle(G4Electron::Electron(),deltaDirection,secondaryKinetic); |
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201 | product.AddSecondary(aElectron); |
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202 | } |
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203 | |
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204 | if (k < lowLim) {product.KillPrimaryParticle();product.AddEnergyDeposit(k);} |
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205 | |
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206 | return product; |
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207 | } |
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208 | |
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209 | |
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210 | |
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211 | G4double G4FinalStateIonisationRudd::RandomizeEjectedElectronEnergy(G4ParticleDefinition* particleDefinition, |
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212 | G4double k, |
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213 | G4int shell) |
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214 | { |
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215 | G4double maximumKineticEnergyTransfer = 0.; |
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216 | |
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217 | G4DNAGenericIonsManager *instance; |
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218 | instance = G4DNAGenericIonsManager::Instance(); |
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219 | |
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220 | if (particleDefinition == G4Proton::ProtonDefinition() |
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221 | || particleDefinition == instance->GetIon("hydrogen")) |
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222 | |
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223 | { |
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224 | maximumKineticEnergyTransfer= 4.* (electron_mass_c2 / proton_mass_c2) * k; |
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225 | } |
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226 | |
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227 | if (particleDefinition == instance->GetIon("helium") |
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228 | || particleDefinition == instance->GetIon("alpha+") |
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229 | || particleDefinition == instance->GetIon("alpha++")) |
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230 | { |
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231 | maximumKineticEnergyTransfer= 4.* (0.511 / 3728) * k; |
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232 | } |
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233 | |
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234 | G4double crossSectionMaximum = 0.; |
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235 | for(G4double value=waterStructure.IonisationEnergy(shell); value<=4.*waterStructure.IonisationEnergy(shell) ; value+=0.1*eV) |
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236 | { |
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237 | G4double differentialCrossSection = DifferentialCrossSection(particleDefinition, k, value, shell); |
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238 | if(differentialCrossSection >= crossSectionMaximum) crossSectionMaximum = differentialCrossSection; |
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239 | } |
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240 | G4double secElecKinetic = 0.; |
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241 | do{ |
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242 | secElecKinetic = G4UniformRand() * maximumKineticEnergyTransfer; |
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243 | } while(G4UniformRand()*crossSectionMaximum > DifferentialCrossSection(particleDefinition, |
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244 | k, |
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245 | secElecKinetic+waterStructure.IonisationEnergy(shell), |
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246 | shell)); |
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247 | |
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248 | return(secElecKinetic); |
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249 | } |
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250 | |
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251 | |
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252 | void G4FinalStateIonisationRudd::RandomizeEjectedElectronDirection(G4ParticleDefinition* particleDefinition, |
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253 | G4double k, |
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254 | G4double secKinetic, |
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255 | G4double cosTheta, |
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256 | G4double phi ) |
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257 | { |
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258 | G4DNAGenericIonsManager *instance; |
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259 | instance = G4DNAGenericIonsManager::Instance(); |
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260 | |
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261 | G4double maxSecKinetic = 0.; |
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262 | |
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263 | if (particleDefinition == G4Proton::ProtonDefinition() |
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264 | || particleDefinition == instance->GetIon("hydrogen")) |
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265 | { |
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266 | maxSecKinetic = 4.* (electron_mass_c2 / proton_mass_c2) * k; |
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267 | } |
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268 | |
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269 | if (particleDefinition == instance->GetIon("helium") |
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270 | || particleDefinition == instance->GetIon("alpha+") |
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271 | || particleDefinition == instance->GetIon("alpha++")) |
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272 | { |
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273 | maxSecKinetic = 4.* (0.511 / 3728) * k; |
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274 | } |
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275 | |
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276 | phi = twopi * G4UniformRand(); |
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277 | cosTheta = std::sqrt(secKinetic / maxSecKinetic); |
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278 | } |
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279 | |
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280 | |
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281 | G4double G4FinalStateIonisationRudd::DifferentialCrossSection(G4ParticleDefinition* particleDefinition, |
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282 | G4double k, |
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283 | G4double energyTransfer, |
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284 | G4int ionizationLevelIndex) |
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285 | { |
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286 | // Shells ids are 0 1 2 3 4 (4 is k shell) |
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287 | // !!Attention, "energyTransfer" here is the energy transfered to the electron which means |
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288 | // that the secondary kinetic energy is w = energyTransfer - bindingEnergy |
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289 | // |
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290 | // ds S F1(nu) + w * F2(nu) |
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291 | // ---- = G(k) * ---- ------------------------------------------- |
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292 | // dw Bj (1+w)^3 * [1 + exp{alpha * (w - wc) / nu}] |
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293 | // |
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294 | // w is the secondary electron kinetic Energy in eV |
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295 | // |
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296 | // All the other parameters can be found in Rudd's Papers |
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297 | // |
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298 | // M.Eugene Rudd, 1988, User-Friendly model for the energy distribution of |
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299 | // electrons from protons or electron collisions. Nucl. Tracks Rad. Meas.Vol 16 N0 2/3 pp 219-218 |
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300 | // |
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301 | |
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302 | const G4int j=ionizationLevelIndex; |
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303 | |
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304 | G4double A1 ; |
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305 | G4double B1 ; |
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306 | G4double C1 ; |
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307 | G4double D1 ; |
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308 | G4double E1 ; |
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309 | G4double A2 ; |
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310 | G4double B2 ; |
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311 | G4double C2 ; |
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312 | G4double D2 ; |
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313 | G4double alphaConst ; |
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314 | |
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315 | if (j == 4) |
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316 | { |
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317 | //Data For Liquid Water K SHELL from Dingfelder (Protons in Water) |
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318 | A1 = 1.25; |
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319 | B1 = 0.5; |
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320 | C1 = 1.00; |
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321 | D1 = 1.00; |
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322 | E1 = 3.00; |
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323 | A2 = 1.10; |
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324 | B2 = 1.30; |
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325 | C2 = 1.00; |
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326 | D2 = 0.00; |
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327 | alphaConst = 0.66; |
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328 | } |
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329 | else |
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330 | { |
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331 | //Data For Liquid Water from Dingfelder (Protons in Water) |
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332 | A1 = 1.02; |
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333 | B1 = 82.0; |
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334 | C1 = 0.45; |
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335 | D1 = -0.80; |
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336 | E1 = 0.38; |
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337 | A2 = 1.07; |
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338 | B2 = 14.6; |
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339 | C2 = 0.60; |
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340 | D2 = 0.04; |
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341 | alphaConst = 0.64; |
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342 | } |
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343 | |
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344 | const G4double n = 2.; |
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345 | const G4double Gj[5] = {0.99, 1.11, 1.11, 0.52, 1.}; |
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346 | |
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347 | //const G4double I[5]={12.61*eV, 14.73*eV, 18.55*eV, 32.2*eV, 539.7*eV}; // for water Vapor |
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348 | //const G4double energyConstant[]={10.79*eV, 13.39*eV, 16.05*eV, 32.30*eV, 539.*eV}; |
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349 | |
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350 | G4DNAGenericIonsManager* instance; |
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351 | instance = G4DNAGenericIonsManager::Instance(); |
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352 | |
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353 | G4double wBig = (energyTransfer - waterStructure.IonisationEnergy(ionizationLevelIndex)); |
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354 | G4double w = wBig / waterStructure.IonisationEnergy(ionizationLevelIndex); |
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355 | G4double Ry = 13.6*eV; |
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356 | |
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357 | G4double tau = 0.; |
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358 | |
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359 | if (particleDefinition == G4Proton::ProtonDefinition() |
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360 | || particleDefinition == instance->GetIon("hydrogen")) |
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361 | { |
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362 | tau = (electron_mass_c2/proton_mass_c2) * k ; |
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363 | } |
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364 | |
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365 | if ( particleDefinition == instance->GetIon("helium") |
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366 | || particleDefinition == instance->GetIon("alpha+") |
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367 | || particleDefinition == instance->GetIon("alpha++")) |
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368 | { |
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369 | tau = (0.511/3728.) * k ; |
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370 | } |
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371 | |
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372 | G4double S = 4.*pi * Bohr_radius*Bohr_radius * n * std::pow((Ry/waterStructure.IonisationEnergy(ionizationLevelIndex)),2); |
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373 | G4double v2 = tau / waterStructure.IonisationEnergy(ionizationLevelIndex); |
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374 | G4double v = std::sqrt(v2); |
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375 | G4double wc = 4.*v2 - 2.*v - (Ry/(4.*waterStructure.IonisationEnergy(ionizationLevelIndex))); |
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376 | |
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377 | G4double L1 = (C1* std::pow(v,(D1))) / (1.+ E1*std::pow(v, (D1+4.))); |
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378 | G4double L2 = C2*std::pow(v,(D2)); |
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379 | G4double H1 = (A1*std::log(1.+v2)) / (v2+(B1/v2)); |
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380 | G4double H2 = (A2/v2) + (B2/(v2*v2)); |
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381 | |
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382 | G4double F1 = L1+H1; |
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383 | G4double F2 = (L2*H2)/(L2+H2); |
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384 | |
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385 | G4double sigma = CorrectionFactor(particleDefinition, k/eV) |
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386 | * Gj[j] * (S/waterStructure.IonisationEnergy(ionizationLevelIndex)) |
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387 | * ( (F1+w*F2) / ( std::pow((1.+w),3) * ( 1.+std::exp(alphaConst*(w-wc)/v))) ); |
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388 | |
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389 | if ( particleDefinition == G4Proton::ProtonDefinition() |
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390 | || particleDefinition == instance->GetIon("hydrogen") |
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391 | ) |
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392 | { |
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393 | return(sigma); |
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394 | } |
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395 | |
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396 | // ------------ |
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397 | |
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398 | if (particleDefinition == instance->GetIon("alpha++") ) |
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399 | { |
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400 | slaterEffectiveCharge[0]=0.; |
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401 | slaterEffectiveCharge[1]=0.; |
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402 | slaterEffectiveCharge[2]=0.; |
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403 | sCoefficient[0]=0.; |
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404 | sCoefficient[1]=0.; |
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405 | sCoefficient[2]=0.; |
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406 | } |
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407 | |
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408 | if (particleDefinition == instance->GetIon("alpha+") ) |
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409 | { |
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410 | slaterEffectiveCharge[0]=2.0; |
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411 | slaterEffectiveCharge[1]=1.15; |
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412 | slaterEffectiveCharge[2]=1.15; |
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413 | sCoefficient[0]=0.7; |
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414 | sCoefficient[1]=0.15; |
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415 | sCoefficient[2]=0.15; |
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416 | } |
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417 | |
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418 | if (particleDefinition == instance->GetIon("helium") ) |
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419 | { |
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420 | slaterEffectiveCharge[0]=1.7; |
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421 | slaterEffectiveCharge[1]=1.15; |
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422 | slaterEffectiveCharge[2]=1.15; |
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423 | sCoefficient[0]=0.5; |
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424 | sCoefficient[1]=0.25; |
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425 | sCoefficient[2]=0.25; |
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426 | } |
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427 | |
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428 | if ( particleDefinition == instance->GetIon("helium") |
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429 | || particleDefinition == instance->GetIon("alpha+") |
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430 | || particleDefinition == instance->GetIon("alpha++") |
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431 | ) |
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432 | { |
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433 | sigma = Gj[j] * (S/waterStructure.IonisationEnergy(ionizationLevelIndex)) * ( (F1+w*F2) / ( std::pow((1.+w),3) * ( 1.+std::exp(alphaConst*(w-wc)/v))) ); |
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434 | |
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435 | G4double zEff = particleDefinition->GetPDGCharge() / eplus + particleDefinition->GetLeptonNumber(); |
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436 | |
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437 | zEff -= ( sCoefficient[0] * S_1s(k, energyTransfer, slaterEffectiveCharge[0], 1.) + |
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438 | sCoefficient[1] * S_2s(k, energyTransfer, slaterEffectiveCharge[1], 2.) + |
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439 | sCoefficient[2] * S_2p(k, energyTransfer, slaterEffectiveCharge[2], 2.) ); |
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440 | |
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441 | return zEff * zEff * sigma ; |
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442 | } |
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443 | |
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444 | return 0; |
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445 | } |
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446 | |
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447 | G4double G4FinalStateIonisationRudd::S_1s(G4double t, |
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448 | G4double energyTransferred, |
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449 | G4double slaterEffectiveChg, |
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450 | G4double shellNumber) |
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451 | { |
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452 | // 1 - e^(-2r) * ( 1 + 2 r + 2 r^2) |
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453 | // Dingfelder, in Chattanooga 2005 proceedings, formula (7) |
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454 | |
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455 | G4double r = R(t, energyTransferred, slaterEffectiveChg, shellNumber); |
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456 | G4double value = 1. - std::exp(-2 * r) * ( ( 2. * r + 2. ) * r + 1. ); |
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457 | |
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458 | return value; |
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459 | } |
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460 | |
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461 | |
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462 | |
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463 | G4double G4FinalStateIonisationRudd::S_2s(G4double t, |
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464 | G4double energyTransferred, |
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465 | G4double slaterEffectiveChg, |
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466 | G4double shellNumber) |
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467 | { |
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468 | // 1 - e^(-2 r) * ( 1 + 2 r + 2 r^2 + 2 r^4) |
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469 | // Dingfelder, in Chattanooga 2005 proceedings, formula (8) |
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470 | |
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471 | G4double r = R(t, energyTransferred, slaterEffectiveChg, shellNumber); |
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472 | G4double value = 1. - std::exp(-2 * r) * (((2. * r * r + 2.) * r + 2.) * r + 1.); |
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473 | |
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474 | return value; |
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475 | |
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476 | } |
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477 | |
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478 | |
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479 | |
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480 | G4double G4FinalStateIonisationRudd::S_2p(G4double t, |
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481 | G4double energyTransferred, |
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482 | G4double slaterEffectiveChg, |
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483 | G4double shellNumber) |
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484 | { |
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485 | // 1 - e^(-2 r) * ( 1 + 2 r + 2 r^2 + 4/3 r^3 + 2/3 r^4) |
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486 | // Dingfelder, in Chattanooga 2005 proceedings, formula (9) |
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487 | |
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488 | G4double r = R(t, energyTransferred, slaterEffectiveChg, shellNumber); |
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489 | G4double value = 1. - std::exp(-2 * r) * (((( 2./3. * r + 4./3.) * r + 2.) * r + 2.) * r + 1.); |
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490 | |
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491 | return value; |
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492 | } |
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493 | |
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494 | |
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495 | |
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496 | G4double G4FinalStateIonisationRudd::R(G4double t, |
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497 | G4double energyTransferred, |
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498 | G4double slaterEffectiveChg, |
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499 | G4double shellNumber) |
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500 | { |
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501 | // tElectron = m_electron / m_alpha * t |
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502 | // Hardcoded in Riccardo's implementation; to be corrected |
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503 | // Dingfelder, in Chattanooga 2005 proceedings, p 4 |
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504 | |
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505 | G4double tElectron = 0.511/3728. * t; |
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506 | G4double value = 2. * tElectron * slaterEffectiveChg / (energyTransferred * shellNumber); |
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507 | |
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508 | return value; |
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509 | } |
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510 | |
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511 | |
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512 | |
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513 | G4double G4FinalStateIonisationRudd::CorrectionFactor(G4ParticleDefinition* particleDefinition, G4double k) |
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514 | { |
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515 | G4DNAGenericIonsManager *instance; |
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516 | instance = G4DNAGenericIonsManager::Instance(); |
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517 | |
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518 | if (particleDefinition == G4Proton::Proton()) |
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519 | { |
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520 | return(1.); |
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521 | } |
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522 | else |
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523 | if (particleDefinition == instance->GetIon("hydrogen")) |
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524 | { |
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525 | G4double value = (std::log(k/eV)-4.2)/0.5; |
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526 | return((0.8/(1+std::exp(value))) + 0.9); |
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527 | } |
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528 | else |
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529 | { |
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530 | return(1.); |
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531 | } |
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532 | } |
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