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2 | // ******************************************************************** |
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3 | // * License and Disclaimer * |
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15 | // * use. Please see the license in the file LICENSE and URL above * |
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17 | // * * |
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18 | // * This code implementation is the result of the scientific and * |
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21 | // * any work based on the software) you agree to acknowledge its * |
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24 | // ******************************************************************** |
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25 | // |
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26 | // $Id: G4UAtomicDeexcitation.cc,v 1.11 |
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27 | // GEANT4 tag $Name: geant4-09-04-ref-00 $ |
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28 | // |
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29 | // ------------------------------------------------------------------- |
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30 | // |
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31 | // Geant4 Class file |
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32 | // |
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33 | // Authors: Alfonso Mantero (Alfonso.Mantero@ge.infn.it) |
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34 | // |
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35 | // Created 22 April 2010 from old G4UAtomicDeexcitation class |
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36 | // |
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37 | // Modified: |
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38 | // --------- |
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39 | // |
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40 | // |
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41 | // ------------------------------------------------------------------- |
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42 | // |
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43 | // Class description: |
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44 | // Implementation of atomic deexcitation |
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45 | // |
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46 | // ------------------------------------------------------------------- |
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47 | |
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48 | #include "G4UAtomicDeexcitation.hh" |
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49 | #include "Randomize.hh" |
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50 | #include "G4Gamma.hh" |
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51 | #include "G4Electron.hh" |
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52 | #include "G4AtomicTransitionManager.hh" |
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53 | #include "G4FluoTransition.hh" |
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54 | #include "G4Proton.hh" |
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55 | |
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56 | using namespace std; |
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57 | |
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58 | G4UAtomicDeexcitation::G4UAtomicDeexcitation(): |
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59 | G4VAtomDeexcitation("UAtomDeexcitation"), |
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60 | minGammaEnergy(DBL_MAX), |
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61 | minElectronEnergy(DBL_MAX) |
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62 | { |
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63 | PIXEshellCS = 0; |
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64 | } |
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65 | |
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66 | G4UAtomicDeexcitation::~G4UAtomicDeexcitation() |
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67 | { |
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68 | delete PIXEshellCS; |
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69 | } |
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70 | |
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71 | void G4UAtomicDeexcitation::InitialiseForNewRun() |
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72 | { |
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73 | transitionManager = G4AtomicTransitionManager::Instance(); |
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74 | |
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75 | // initializing PIXE |
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76 | if ("" == PIXECrossSectionModel()) { |
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77 | SetPIXECrossSectionModel("Empirical"); |
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78 | } |
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79 | |
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80 | if (PIXECrossSectionModel() == "ECPSSR_Analytical") { |
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81 | delete PIXEshellCS; |
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82 | PIXEshellCS = new G4teoCrossSection("analytical"); |
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83 | } |
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84 | |
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85 | else if (PIXECrossSectionModel() == "Empirical") { |
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86 | delete PIXEshellCS; |
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87 | PIXEshellCS = new G4empCrossSection; |
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88 | } |
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89 | else { |
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90 | G4cout << "### G4UAtomicDeexcitation::InitialiseForNewRun WARNING " |
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91 | << G4endl; |
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92 | G4cout << " PIXE cross section name " << PIXECrossSectionModel() |
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93 | << " is unknown, PIXE is disabled" << G4endl; |
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94 | SetPIXEActive(false); |
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95 | } |
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96 | } |
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97 | |
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98 | void G4UAtomicDeexcitation::InitialiseForExtraAtom(G4int /*Z*/) |
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99 | {} |
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100 | |
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101 | const G4AtomicShell* |
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102 | G4UAtomicDeexcitation::GetAtomicShell(G4int Z, G4AtomicShellEnumerator shell) |
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103 | { |
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104 | return transitionManager->Shell(Z, G4int(shell)); |
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105 | } |
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106 | |
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107 | void G4UAtomicDeexcitation::GenerateParticles( |
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108 | std::vector<G4DynamicParticle*>* vectorOfParticles, |
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109 | const G4AtomicShell* atomicShell, |
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110 | G4int Z, |
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111 | G4double gammaCut, |
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112 | G4double eCut) |
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113 | { |
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114 | // Defined initial conditions |
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115 | G4int givenShellId = atomicShell->ShellId(); |
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116 | minGammaEnergy = gammaCut; |
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117 | minElectronEnergy = eCut; |
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118 | |
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119 | // generation secondaries |
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120 | G4DynamicParticle* aParticle; |
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121 | G4int provShellId = 0; |
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122 | G4int counter = 0; |
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123 | |
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124 | // The aim of this loop is to generate more than one fluorecence photon |
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125 | // from the same ionizing event |
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126 | do |
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127 | { |
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128 | if (counter == 0) |
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129 | // First call to GenerateParticles(...): |
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130 | // givenShellId is given by the process |
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131 | { |
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132 | provShellId = SelectTypeOfTransition(Z, givenShellId); |
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133 | |
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134 | if ( provShellId >0) |
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135 | { |
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136 | aParticle = GenerateFluorescence(Z,givenShellId,provShellId); |
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137 | } |
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138 | else if ( provShellId == -1) |
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139 | { |
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140 | aParticle = GenerateAuger(Z, givenShellId); |
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141 | } |
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142 | else |
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143 | { |
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144 | G4Exception("G4UAtomicDeexcitation: starting shell uncorrect: check it"); |
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145 | } |
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146 | } |
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147 | else |
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148 | // Following calls to GenerateParticles(...): |
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149 | // newShellId is given by GenerateFluorescence(...) |
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150 | { |
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151 | provShellId = SelectTypeOfTransition(Z,newShellId); |
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152 | if (provShellId >0) |
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153 | { |
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154 | aParticle = GenerateFluorescence(Z,newShellId,provShellId); |
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155 | } |
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156 | else if ( provShellId == -1) |
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157 | { |
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158 | aParticle = GenerateAuger(Z, newShellId); |
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159 | } |
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160 | else |
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161 | { |
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162 | G4Exception("G4UAtomicDeexcitation: starting shell uncorrect: check it"); |
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163 | } |
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164 | } |
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165 | counter++; |
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166 | if (aParticle != 0) |
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167 | { |
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168 | vectorOfParticles->push_back(aParticle); |
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169 | // G4cout << "FLUO!" << G4endl; //debug |
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170 | } |
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171 | else {provShellId = -2;} |
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172 | } |
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173 | |
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174 | // Look this in a particular way: only one auger emitted! // ???? |
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175 | while (provShellId > -2); |
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176 | } |
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177 | |
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178 | G4double |
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179 | G4UAtomicDeexcitation::GetShellIonisationCrossSectionPerAtom( |
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180 | const G4ParticleDefinition* pdef, |
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181 | G4int Z /*Z*/, |
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182 | G4AtomicShellEnumerator shellEnum/*shell*/, |
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183 | G4double kineticEnergy/*kinE*/) |
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184 | { |
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185 | // scaling to protons |
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186 | G4double mass = proton_mass_c2; |
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187 | G4double escaled = kineticEnergy*mass/(pdef->GetPDGMass()); |
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188 | G4double q = pdef->GetPDGCharge()/eplus; |
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189 | |
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190 | |
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191 | std::vector<G4double> atomXSs = PIXEshellCS->GetCrossSection(Z,escaled,mass,0); |
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192 | G4double res = 0.0; |
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193 | G4int idx = G4int(shellEnum); |
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194 | G4int length = atomXSs.size(); |
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195 | if(idx < length) { res = q*q*atomXSs[idx]; } |
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196 | |
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197 | return res; |
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198 | } |
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199 | |
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200 | void G4UAtomicDeexcitation::SetCutForSecondaryPhotons(G4double cut) |
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201 | { |
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202 | minGammaEnergy = cut; |
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203 | } |
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204 | |
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205 | void G4UAtomicDeexcitation::SetCutForAugerElectrons(G4double cut) |
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206 | { |
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207 | minElectronEnergy = cut; |
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208 | } |
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209 | |
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210 | G4double |
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211 | G4UAtomicDeexcitation::ComputeShellIonisationCrossSectionPerAtom( |
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212 | const G4ParticleDefinition* p, |
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213 | G4int Z, |
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214 | G4AtomicShellEnumerator shell, |
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215 | G4double kinE) |
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216 | { |
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217 | return GetShellIonisationCrossSectionPerAtom(p,Z,shell,kinE); |
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218 | } |
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219 | |
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220 | G4int G4UAtomicDeexcitation::SelectTypeOfTransition(G4int Z, G4int shellId) |
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221 | { |
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222 | if (shellId <=0 ) { |
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223 | {G4Exception("G4UAtomicDeexcitation: zero or negative shellId");} |
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224 | } |
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225 | G4bool fluoTransitionFoundFlag = false; |
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226 | |
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227 | G4int provShellId = -1; |
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228 | G4int shellNum = 0; |
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229 | G4int maxNumOfShells = transitionManager->NumberOfReachableShells(Z); |
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230 | |
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231 | const G4FluoTransition* refShell = transitionManager->ReachableShell(Z,maxNumOfShells-1); |
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232 | |
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233 | // This loop gives shellNum the value of the index of shellId |
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234 | // in the vector storing the list of the shells reachable through |
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235 | // a radiative transition |
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236 | if ( shellId <= refShell->FinalShellId()) |
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237 | { |
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238 | while (shellId != transitionManager->ReachableShell(Z,shellNum)->FinalShellId()) |
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239 | { |
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240 | if(shellNum ==maxNumOfShells-1) |
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241 | { |
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242 | break; |
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243 | } |
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244 | shellNum++; |
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245 | } |
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246 | G4int transProb = 0; //AM change 29/6/07 was 1 |
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247 | |
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248 | G4double partialProb = G4UniformRand(); |
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249 | G4double partSum = 0; |
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250 | const G4FluoTransition* aShell = transitionManager->ReachableShell(Z,shellNum); |
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251 | G4int trSize = (aShell->TransitionProbabilities()).size(); |
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252 | |
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253 | // Loop over the shells wich can provide an electron for a |
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254 | // radiative transition towards shellId: |
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255 | // in every loop the partial sum of the first transProb shells |
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256 | // is calculated and compared with a random number [0,1]. |
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257 | // If the partial sum is greater, the shell whose index is transProb |
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258 | // is chosen as the starting shell for a radiative transition |
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259 | // and its identity is returned |
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260 | // Else, terminateded the loop, -1 is returned |
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261 | while(transProb < trSize){ |
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262 | |
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263 | partSum += aShell->TransitionProbability(transProb); |
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264 | |
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265 | if(partialProb <= partSum) |
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266 | { |
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267 | provShellId = aShell->OriginatingShellId(transProb); |
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268 | fluoTransitionFoundFlag = true; |
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269 | |
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270 | break; |
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271 | } |
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272 | transProb++; |
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273 | } |
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274 | |
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275 | // here provShellId is the right one or is -1. |
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276 | // if -1, the control is passed to the Auger generation part of the package |
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277 | } |
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278 | |
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279 | |
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280 | |
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281 | else |
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282 | { |
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283 | |
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284 | provShellId = -1; |
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285 | |
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286 | } |
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287 | return provShellId; |
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288 | } |
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289 | |
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290 | G4DynamicParticle* |
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291 | G4UAtomicDeexcitation::GenerateFluorescence(G4int Z, G4int shellId, |
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292 | G4int provShellId ) |
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293 | { |
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294 | //isotropic angular distribution for the outcoming photon |
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295 | G4double newcosTh = 1.-2.*G4UniformRand(); |
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296 | G4double newsinTh = std::sqrt((1.-newcosTh)*(1. + newcosTh)); |
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297 | G4double newPhi = twopi*G4UniformRand(); |
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298 | |
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299 | G4double xDir = newsinTh*std::sin(newPhi); |
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300 | G4double yDir = newsinTh*std::cos(newPhi); |
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301 | G4double zDir = newcosTh; |
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302 | |
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303 | G4ThreeVector newGammaDirection(xDir,yDir,zDir); |
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304 | |
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305 | G4int shellNum = 0; |
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306 | G4int maxNumOfShells = transitionManager->NumberOfReachableShells(Z); |
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307 | |
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308 | // find the index of the shell named shellId |
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309 | while (shellId != transitionManager-> |
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310 | ReachableShell(Z,shellNum)->FinalShellId()) |
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311 | { |
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312 | if(shellNum == maxNumOfShells-1) |
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313 | { |
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314 | break; |
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315 | } |
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316 | shellNum++; |
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317 | } |
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318 | // number of shell from wich an electron can reach shellId |
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319 | size_t transitionSize = transitionManager-> |
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320 | ReachableShell(Z,shellNum)->OriginatingShellIds().size(); |
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321 | |
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322 | size_t index = 0; |
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323 | |
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324 | // find the index of the shell named provShellId in the vector |
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325 | // storing the shells from which shellId can be reached |
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326 | while (provShellId != transitionManager-> |
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327 | ReachableShell(Z,shellNum)->OriginatingShellId(index)) |
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328 | { |
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329 | if(index == transitionSize-1) |
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330 | { |
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331 | break; |
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332 | } |
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333 | index++; |
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334 | } |
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335 | // energy of the gamma leaving provShellId for shellId |
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336 | G4double transitionEnergy = transitionManager-> |
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337 | ReachableShell(Z,shellNum)->TransitionEnergy(index); |
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338 | |
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339 | if (transitionEnergy < minGammaEnergy) return 0; |
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340 | |
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341 | // This is the shell where the new vacancy is: it is the same |
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342 | // shell where the electron came from |
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343 | newShellId = transitionManager-> |
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344 | ReachableShell(Z,shellNum)->OriginatingShellId(index); |
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345 | |
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346 | |
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347 | G4DynamicParticle* newPart = new G4DynamicParticle(G4Gamma::Gamma(), |
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348 | newGammaDirection, |
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349 | transitionEnergy); |
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350 | return newPart; |
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351 | } |
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352 | |
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353 | G4DynamicParticle* G4UAtomicDeexcitation::GenerateAuger(G4int Z, G4int shellId) |
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354 | { |
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355 | if(!IsAugerActive()) { return 0; } |
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356 | |
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357 | if (shellId <=0 ) { |
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358 | {G4Exception("G4UAtomicDeexcitation: zero or negative shellId");} |
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359 | } |
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360 | // G4int provShellId = -1; |
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361 | G4int maxNumOfShells = transitionManager->NumberOfReachableAugerShells(Z); |
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362 | |
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363 | const G4AugerTransition* refAugerTransition = |
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364 | transitionManager->ReachableAugerShell(Z,maxNumOfShells-1); |
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365 | |
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366 | // This loop gives to shellNum the value of the index of shellId |
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367 | // in the vector storing the list of the vacancies in the variuos shells |
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368 | // that can originate a NON-radiative transition |
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369 | |
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370 | // ---- MGP ---- Next line commented out to remove compilation warning |
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371 | // G4int p = refAugerTransition->FinalShellId(); |
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372 | |
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373 | G4int shellNum = 0; |
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374 | |
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375 | if ( shellId <= refAugerTransition->FinalShellId() ) |
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376 | //"FinalShellId" is final from the point of view of the elctron who makes the transition, |
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377 | // being the Id of the shell in which there is a vacancy |
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378 | { |
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379 | G4int pippo = transitionManager->ReachableAugerShell(Z,shellNum)->FinalShellId(); |
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380 | if (shellId != pippo ) { |
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381 | do { |
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382 | shellNum++; |
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383 | if(shellNum == maxNumOfShells) |
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384 | { |
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385 | //G4Exception("G4UAtomicDeexcitation: No Auger transition found"); |
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386 | return 0; |
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387 | } |
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388 | } |
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389 | while (shellId != (transitionManager->ReachableAugerShell(Z,shellNum)->FinalShellId()) ) ; |
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390 | } |
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391 | |
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392 | |
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393 | // Now we have that shellnum is the shellIndex of the shell named ShellId |
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394 | |
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395 | // G4cout << " the index of the shell is: "<<shellNum<<G4endl; |
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396 | |
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397 | // But we have now to select two shells: one for the transition, |
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398 | // and another for the auger emission. |
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399 | |
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400 | G4int transitionLoopShellIndex = 0; |
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401 | G4double partSum = 0; |
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402 | const G4AugerTransition* anAugerTransition = |
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403 | transitionManager->ReachableAugerShell(Z,shellNum); |
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404 | |
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405 | // G4cout << " corresponding to the ID: "<< anAugerTransition->FinalShellId() << G4endl; |
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406 | |
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407 | |
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408 | G4int transitionSize = |
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409 | (anAugerTransition->TransitionOriginatingShellIds())->size(); |
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410 | while (transitionLoopShellIndex < transitionSize) { |
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411 | |
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412 | std::vector<G4int>::const_iterator pos = |
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413 | anAugerTransition->TransitionOriginatingShellIds()->begin(); |
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414 | |
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415 | G4int transitionLoopShellId = *(pos+transitionLoopShellIndex); |
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416 | G4int numberOfPossibleAuger = |
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417 | (anAugerTransition->AugerTransitionProbabilities(transitionLoopShellId))->size(); |
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418 | G4int augerIndex = 0; |
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419 | // G4int partSum2 = 0; |
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420 | |
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421 | |
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422 | if (augerIndex < numberOfPossibleAuger) { |
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423 | |
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424 | do |
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425 | { |
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426 | G4double thisProb = anAugerTransition->AugerTransitionProbability(augerIndex, |
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427 | transitionLoopShellId); |
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428 | partSum += thisProb; |
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429 | augerIndex++; |
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430 | |
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431 | } while (augerIndex < numberOfPossibleAuger); |
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432 | } |
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433 | transitionLoopShellIndex++; |
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434 | } |
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435 | |
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436 | |
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437 | |
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438 | // Now we have the entire probability of an auger transition for the vacancy |
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439 | // located in shellNum (index of shellId) |
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440 | |
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441 | // AM *********************** F I X E D **************************** AM |
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442 | // Here we duplicate the previous loop, this time looking to the sum of the probabilities |
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443 | // to be under the random number shoot by G4 UniformRdandom. This could have been done in the |
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444 | // previuos loop, while integrating the probabilities. There is a bug that will be fixed |
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445 | // 5 minutes from now: a line: |
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446 | // G4int numberOfPossibleAuger = (anAugerTransition-> |
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447 | // AugerTransitionProbabilities(transitionLoopShellId))->size(); |
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448 | // to be inserted. |
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449 | // AM *********************** F I X E D **************************** AM |
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450 | |
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451 | // Remains to get the same result with a single loop. |
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452 | |
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453 | // AM *********************** F I X E D **************************** AM |
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454 | // Another Bug: in EADL Auger Transition are normalized to all the transitions deriving from |
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455 | // a vacancy in one shell, but not all of these are present in data tables. So if a transition |
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456 | // doesn't occur in the main one a local energy deposition must occur, instead of (like now) |
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457 | // generating the last transition present in EADL data. |
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458 | // AM *********************** F I X E D **************************** AM |
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459 | |
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460 | |
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461 | G4double totalVacancyAugerProbability = partSum; |
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462 | |
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463 | |
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464 | //And now we start to select the right auger transition and emission |
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465 | G4int transitionRandomShellIndex = 0; |
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466 | G4int transitionRandomShellId = 1; |
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467 | G4int augerIndex = 0; |
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468 | partSum = 0; |
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469 | G4double partialProb = G4UniformRand(); |
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470 | // G4int augerOriginatingShellId = 0; |
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471 | |
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472 | G4int numberOfPossibleAuger = 0; |
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473 | |
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474 | G4bool foundFlag = false; |
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475 | |
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476 | while (transitionRandomShellIndex < transitionSize) { |
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477 | |
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478 | std::vector<G4int>::const_iterator pos = |
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479 | anAugerTransition->TransitionOriginatingShellIds()->begin(); |
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480 | |
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481 | transitionRandomShellId = *(pos+transitionRandomShellIndex); |
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482 | |
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483 | augerIndex = 0; |
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484 | numberOfPossibleAuger = (anAugerTransition-> |
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485 | AugerTransitionProbabilities(transitionRandomShellId))->size(); |
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486 | |
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487 | while (augerIndex < numberOfPossibleAuger) { |
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488 | G4double thisProb =anAugerTransition->AugerTransitionProbability(augerIndex, |
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489 | transitionRandomShellId); |
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490 | |
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491 | partSum += thisProb; |
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492 | |
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493 | if (partSum >= (partialProb*totalVacancyAugerProbability) ) { // was / |
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494 | foundFlag = true; |
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495 | break; |
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496 | } |
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497 | augerIndex++; |
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498 | } |
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499 | if (partSum >= (partialProb*totalVacancyAugerProbability) ) {break;} // was / |
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500 | transitionRandomShellIndex++; |
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501 | } |
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502 | |
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503 | // Now we have the index of the shell from wich comes the auger electron (augerIndex), |
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504 | // and the id of the shell, from which the transition e- come (transitionRandomShellid) |
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505 | // If no Transition has been found, 0 is returned. |
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506 | |
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507 | if (!foundFlag) {return 0;} |
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508 | |
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509 | // Isotropic angular distribution for the outcoming e- |
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510 | G4double newcosTh = 1.-2.*G4UniformRand(); |
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511 | G4double newsinTh = std::sqrt(1.-newcosTh*newcosTh); |
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512 | G4double newPhi = twopi*G4UniformRand(); |
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513 | |
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514 | G4double xDir = newsinTh*std::sin(newPhi); |
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515 | G4double yDir = newsinTh*std::cos(newPhi); |
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516 | G4double zDir = newcosTh; |
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517 | |
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518 | G4ThreeVector newElectronDirection(xDir,yDir,zDir); |
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519 | |
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520 | // energy of the auger electron emitted |
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521 | |
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522 | |
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523 | G4double transitionEnergy = anAugerTransition->AugerTransitionEnergy(augerIndex, transitionRandomShellId); |
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524 | /* |
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525 | G4cout << "AUger TransitionId " << anAugerTransition->FinalShellId() << G4endl; |
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526 | G4cout << "augerIndex: " << augerIndex << G4endl; |
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527 | G4cout << "transitionShellId: " << transitionRandomShellId << G4endl; |
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528 | */ |
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529 | |
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530 | if (transitionEnergy < minElectronEnergy) return 0; |
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531 | |
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532 | // This is the shell where the new vacancy is: it is the same |
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533 | // shell where the electron came from |
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534 | newShellId = transitionRandomShellId; |
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535 | |
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536 | return new G4DynamicParticle(G4Electron::Electron(), |
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537 | newElectronDirection, |
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538 | transitionEnergy); |
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539 | } |
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540 | else |
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541 | { |
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542 | //G4Exception("G4UAtomicDeexcitation: no auger transition found"); |
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543 | return 0; |
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544 | } |
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545 | } |
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