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2 | // ******************************************************************** |
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24 | // ******************************************************************** |
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25 | // |
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26 | // |
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27 | // $Id: G4IonisParamMat.cc,v 1.38 2010/05/15 15:37:33 vnivanch Exp $ |
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28 | // GEANT4 tag $Name: geant4-09-04-beta-01 $ |
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29 | // |
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30 | // |
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31 | //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo.... ....oooOO0OOooo.... |
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32 | |
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33 | // 09-07-98, data moved from G4Material, M.Maire |
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34 | // 18-07-98, bug corrected in ComputeDensityEffect() for gas |
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35 | // 16-01-01, bug corrected in ComputeDensityEffect() E100eV (L.Urban) |
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36 | // 08-02-01, fShellCorrectionVector correctly handled (mma) |
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37 | // 28-10-02, add setMeanExcitationEnergy (V.Ivanchenko) |
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38 | // 06-09-04, factor 2 to shell correction term (V.Ivanchenko) |
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39 | // 10-05-05, add a missing coma in FindMeanExcitationEnergy() - Bug#746 (mma) |
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40 | // 27-09-07, add computation of parameters for ions (V.Ivanchenko) |
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41 | // 04-03-08, remove reference to G4NistManager. Add fBirks constant (mma) |
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42 | // 30-10-09, add G4DensityEffectData class and density effect computation (VI) |
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43 | |
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44 | //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo.... ....oooOO0OOooo.... |
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45 | |
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46 | #include "G4IonisParamMat.hh" |
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47 | #include "G4Material.hh" |
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48 | #include "G4DensityEffectData.hh" |
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49 | |
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50 | G4DensityEffectData* G4IonisParamMat::fDensityData = 0; |
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51 | |
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52 | //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo.... ....oooOO0OOooo.... |
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53 | |
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54 | G4IonisParamMat::G4IonisParamMat(G4Material* material) |
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55 | : fMaterial(material) |
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56 | { |
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57 | fBirks = 0.; |
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58 | fMeanEnergyPerIon = 0.0; |
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59 | |
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60 | // minimal set of default parameters for density effect |
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61 | fCdensity = 0.0; |
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62 | fD0density = 0.0; |
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63 | fAdjustmentFactor = 1.0; |
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64 | if(!fDensityData) { fDensityData = new G4DensityEffectData(); } |
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65 | |
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66 | // compute parameters |
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67 | ComputeMeanParameters(); |
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68 | ComputeDensityEffect(); |
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69 | ComputeFluctModel(); |
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70 | ComputeIonParameters(); |
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71 | } |
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72 | |
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73 | //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo.... ....oooOO0OOooo.... |
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74 | |
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75 | // Fake default constructor - sets only member data and allocates memory |
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76 | // for usage restricted to object persistency |
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77 | |
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78 | G4IonisParamMat::G4IonisParamMat(__void__&) |
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79 | : fMaterial(0), fShellCorrectionVector(0) |
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80 | { |
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81 | } |
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82 | |
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83 | //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo.... ....oooOO0OOooo.... |
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84 | |
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85 | void G4IonisParamMat::ComputeMeanParameters() |
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86 | { |
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87 | // compute mean excitation energy and shell correction vector |
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88 | |
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89 | fTaul = (*(fMaterial->GetElementVector()))[0]->GetIonisation()->GetTaul(); |
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90 | |
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91 | fMeanExcitationEnergy = 0.; |
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92 | fLogMeanExcEnergy = 0.; |
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93 | |
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94 | size_t nElements = fMaterial->GetNumberOfElements(); |
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95 | const G4ElementVector* elmVector = fMaterial->GetElementVector(); |
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96 | const G4double* nAtomsPerVolume = fMaterial->GetVecNbOfAtomsPerVolume(); |
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97 | |
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98 | const G4String ch = fMaterial->GetChemicalFormula(); |
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99 | |
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100 | if(ch != "") fMeanExcitationEnergy = FindMeanExcitationEnergy(ch); |
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101 | |
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102 | // Chemical formula defines mean excitation energy |
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103 | if(fMeanExcitationEnergy > 0.0) { |
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104 | fLogMeanExcEnergy = std::log(fMeanExcitationEnergy); |
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105 | |
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106 | // Compute average |
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107 | } else { |
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108 | for (size_t i=0; i < nElements; i++) { |
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109 | const G4Element* elm = (*elmVector)[i]; |
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110 | fLogMeanExcEnergy += nAtomsPerVolume[i]*elm->GetZ() |
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111 | *std::log(elm->GetIonisation()->GetMeanExcitationEnergy()); |
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112 | } |
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113 | fLogMeanExcEnergy /= fMaterial->GetTotNbOfElectPerVolume(); |
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114 | fMeanExcitationEnergy = std::exp(fLogMeanExcEnergy); |
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115 | } |
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116 | |
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117 | fShellCorrectionVector = new G4double[3]; //[3] |
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118 | |
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119 | for (G4int j=0; j<=2; j++) |
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120 | { |
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121 | fShellCorrectionVector[j] = 0.; |
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122 | |
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123 | for (size_t k=0; k<nElements; k++) { |
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124 | fShellCorrectionVector[j] += nAtomsPerVolume[k] |
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125 | *(((*elmVector)[k])->GetIonisation()->GetShellCorrectionVector())[j]; |
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126 | } |
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127 | fShellCorrectionVector[j] *= 2.0/fMaterial->GetTotNbOfElectPerVolume(); |
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128 | } |
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129 | } |
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130 | |
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131 | //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo.... ....oooOO0OOooo.... |
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132 | |
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133 | G4DensityEffectData* G4IonisParamMat::GetDensityEffectData() |
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134 | { |
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135 | return fDensityData; |
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136 | } |
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137 | |
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138 | //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo.... ....oooOO0OOooo.... |
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139 | |
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140 | void G4IonisParamMat::ComputeDensityEffect() |
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141 | { |
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142 | static const G4double twoln10 = 2.*std::log(10.); |
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143 | G4State State = fMaterial->GetState(); |
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144 | |
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145 | // Check if density effect data exist in the table |
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146 | // R.M. Sternheimer, Atomic Data and Nuclear Data Tables, 30: 261 (1984) |
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147 | G4int idx = fDensityData->GetIndex(fMaterial->GetName()); |
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148 | if(idx < 0 && fMaterial->GetNumberOfElements() == 1) { |
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149 | idx = fDensityData->GetElementIndex(G4int(fMaterial->GetZ()), |
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150 | fMaterial->GetState()); |
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151 | } |
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152 | |
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153 | //G4cout << "DensityEffect for " << fMaterial->GetName() << " " << idx << G4endl; |
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154 | |
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155 | if(idx >= 0) { |
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156 | |
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157 | // Take parameters for the density effect correction from |
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158 | // R.M. Sternheimer et al. Density Effect For The Ionization Loss |
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159 | // of Charged Particles in Various Substances. |
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160 | // Atom. Data Nucl. Data Tabl. 30 (1984) 261-271. |
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161 | |
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162 | fCdensity = fDensityData->GetCdensity(idx); |
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163 | fMdensity = fDensityData->GetMdensity(idx); |
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164 | fAdensity = fDensityData->GetAdensity(idx); |
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165 | fX0density = fDensityData->GetX0density(idx); |
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166 | fX1density = fDensityData->GetX1density(idx); |
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167 | fD0density = fDensityData->GetDelta0density(idx); |
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168 | fPlasmaEnergy = fDensityData->GetPlasmaEnergy(idx); |
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169 | fAdjustmentFactor = fDensityData->GetAdjustmentFactor(idx); |
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170 | |
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171 | } else { |
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172 | |
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173 | const G4double Cd2 = 4*pi*hbarc_squared*classic_electr_radius; |
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174 | fPlasmaEnergy = std::sqrt(Cd2*fMaterial->GetTotNbOfElectPerVolume()); |
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175 | |
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176 | // Compute parameters for the density effect correction in DE/Dx formula. |
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177 | // The parametrization is from R.M. Sternheimer, Phys. Rev.B,3:3681 (1971) |
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178 | G4int icase; |
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179 | |
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180 | fCdensity = 1. + 2*std::log(fMeanExcitationEnergy/fPlasmaEnergy); |
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181 | |
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182 | //fCdensity = 1. + std::log(fMeanExcitationEnergy*fMeanExcitationEnergy |
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183 | // /(Cd2*fMaterial->GetTotNbOfElectPerVolume())); |
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184 | |
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185 | // |
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186 | // condensed materials |
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187 | // |
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188 | |
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189 | if ((State == kStateSolid)||(State == kStateLiquid)) { |
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190 | |
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191 | const G4double E100eV = 100.*eV; |
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192 | const G4double ClimiS[] = {3.681 , 5.215 }; |
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193 | const G4double X0valS[] = {1.0 , 1.5 }; |
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194 | const G4double X1valS[] = {2.0 , 3.0 }; |
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195 | |
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196 | if(fMeanExcitationEnergy < E100eV) icase = 0; |
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197 | else icase = 1; |
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198 | |
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199 | if(fCdensity < ClimiS[icase]) fX0density = 0.2; |
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200 | else fX0density = 0.326*fCdensity-X0valS[icase]; |
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201 | |
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202 | fX1density = X1valS[icase] ; fMdensity = 3.0; |
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203 | |
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204 | //special: Hydrogen |
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205 | if ((fMaterial->GetNumberOfElements()==1)&&(fMaterial->GetZ()==1.)) { |
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206 | fX0density = 0.425; fX1density = 2.0; fMdensity = 5.949; |
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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 | // gases |
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212 | // |
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213 | if (State == kStateGas) { |
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214 | |
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215 | const G4double ClimiG[] = { 10. , 10.5 , 11. , 11.5 , 12.25 , 13.804}; |
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216 | const G4double X0valG[] = { 1.6 , 1.7 , 1.8 , 1.9 , 2.0 , 2.0 }; |
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217 | const G4double X1valG[] = { 4.0 , 4.0 , 4.0 , 4.0 , 4.0 , 5.0 }; |
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218 | |
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219 | icase = 5; |
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220 | fX0density = 0.326*fCdensity-2.5 ; fX1density = 5.0 ; fMdensity = 3. ; |
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221 | while((icase > 0)&&(fCdensity < ClimiG[icase])) icase-- ; |
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222 | fX0density = X0valG[icase] ; fX1density = X1valG[icase] ; |
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223 | |
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224 | //special: Hydrogen |
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225 | if ((fMaterial->GetNumberOfElements()==1)&&(fMaterial->GetZ()==1.)) { |
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226 | fX0density = 1.837; fX1density = 3.0; fMdensity = 4.754; |
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227 | } |
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228 | |
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229 | //special: Helium |
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230 | if ((fMaterial->GetNumberOfElements()==1)&&(fMaterial->GetZ()==2.)) { |
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231 | fX0density = 2.191; fX1density = 3.0; fMdensity = 3.297; |
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232 | } |
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233 | } |
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234 | } |
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235 | |
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236 | // change parameters if the gas is not in STP. |
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237 | // For the correction the density(STP) is needed. |
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238 | // Density(STP) is calculated here : |
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239 | |
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240 | |
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241 | if (State == kStateGas) { |
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242 | G4double Density = fMaterial->GetDensity(); |
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243 | G4double Pressure = fMaterial->GetPressure(); |
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244 | G4double Temp = fMaterial->GetTemperature(); |
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245 | |
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246 | G4double DensitySTP = Density*STP_Pressure*Temp/(Pressure*STP_Temperature); |
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247 | |
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248 | G4double ParCorr = std::log(Density/DensitySTP); |
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249 | |
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250 | fCdensity -= ParCorr; |
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251 | fX0density -= ParCorr/twoln10; |
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252 | fX1density -= ParCorr/twoln10; |
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253 | } |
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254 | |
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255 | // fAdensity parameter can be fixed for not conductive materials |
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256 | if(0.0 == fD0density) { |
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257 | G4double Xa = fCdensity/twoln10; |
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258 | fAdensity = twoln10*(Xa-fX0density) |
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259 | /std::pow((fX1density-fX0density),fMdensity); |
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260 | } |
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261 | /* |
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262 | G4cout << "G4IonisParamMat: density effect data for <" << fMaterial->GetName() |
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263 | << "> " << G4endl; |
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264 | G4cout << "Eplasma(eV)= " << fPlasmaEnergy/eV |
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265 | << " rho= " << fAdjustmentFactor |
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266 | << " -C= " << fCdensity |
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267 | << " x0= " << fX0density |
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268 | << " x1= " << fX1density |
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269 | << " a= " << fAdensity |
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270 | << " m= " << fMdensity |
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271 | << G4endl; |
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272 | */ |
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273 | } |
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274 | |
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275 | //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo.... ....oooOO0OOooo.... |
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276 | |
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277 | void G4IonisParamMat::ComputeFluctModel() |
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278 | { |
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279 | // compute parameters for the energy loss fluctuation model |
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280 | |
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281 | // need an 'effective Z' ????? |
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282 | G4double Zeff = 0.; |
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283 | for (size_t i=0;i<fMaterial->GetNumberOfElements();i++) { |
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284 | Zeff += (fMaterial->GetFractionVector())[i] |
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285 | *((*(fMaterial->GetElementVector()))[i]->GetZ()); |
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286 | } |
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287 | if (Zeff > 2.) fF2fluct = 2./Zeff ; |
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288 | else fF2fluct = 0.; |
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289 | |
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290 | fF1fluct = 1. - fF2fluct; |
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291 | fEnergy2fluct = 10.*Zeff*Zeff*eV; |
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292 | fLogEnergy2fluct = std::log(fEnergy2fluct); |
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293 | fLogEnergy1fluct = (fLogMeanExcEnergy - fF2fluct*fLogEnergy2fluct) |
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294 | /fF1fluct; |
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295 | fEnergy1fluct = std::exp(fLogEnergy1fluct); |
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296 | fEnergy0fluct = 10.*eV; |
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297 | fRateionexcfluct = 0.4; |
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298 | } |
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299 | |
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300 | //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo.... ....oooOO0OOooo.... |
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301 | |
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302 | void G4IonisParamMat::ComputeIonParameters() |
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303 | { |
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304 | // get elements in the actual material, |
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305 | const G4ElementVector* theElementVector = fMaterial->GetElementVector() ; |
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306 | const G4double* theAtomicNumDensityVector = |
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307 | fMaterial->GetAtomicNumDensityVector() ; |
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308 | const G4int NumberOfElements = fMaterial->GetNumberOfElements() ; |
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309 | |
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310 | // loop for the elements in the material |
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311 | // to find out average values Z, vF, lF |
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312 | G4double z(0.0), vF(0.0), lF(0.0), norm(0.0), a23(0.0); |
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313 | |
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314 | if( 1 == NumberOfElements ) { |
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315 | const G4Element* element = (*theElementVector)[0]; |
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316 | z = element->GetZ(); |
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317 | vF= element->GetIonisation()->GetFermiVelocity(); |
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318 | lF= element->GetIonisation()->GetLFactor(); |
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319 | a23 = std::pow(element->GetN(),-2./3.); |
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320 | |
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321 | } else { |
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322 | for (G4int iel=0; iel<NumberOfElements; iel++) |
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323 | { |
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324 | const G4Element* element = (*theElementVector)[iel] ; |
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325 | const G4double weight = theAtomicNumDensityVector[iel] ; |
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326 | norm += weight ; |
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327 | z += element->GetZ() * weight ; |
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328 | vF += element->GetIonisation()->GetFermiVelocity() * weight ; |
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329 | lF += element->GetIonisation()->GetLFactor() * weight ; |
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330 | a23 += std::pow(element->GetN(),-2./3.) * weight ; |
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331 | } |
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332 | z /= norm; |
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333 | vF /= norm; |
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334 | lF /= norm; |
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335 | a23 /= norm; |
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336 | } |
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337 | fZeff = z; |
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338 | fLfactor = lF; |
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339 | fFermiEnergy = 25.*keV*vF*vF; |
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340 | fInvA23 = a23; |
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341 | } |
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342 | |
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343 | //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo.... ....oooOO0OOooo.... |
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344 | |
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345 | void G4IonisParamMat::SetMeanExcitationEnergy(G4double value) |
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346 | { |
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347 | if(value == fMeanExcitationEnergy || value <= 0.0) { return; } |
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348 | |
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349 | /* |
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350 | if (G4NistManager::Instance()->GetVerbose() > 0) |
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351 | G4cout << "G4Material: Mean excitation energy is changed for " |
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352 | << fMaterial->GetName() |
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353 | << " Iold= " << fMeanExcitationEnergy/eV |
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354 | << "eV; Inew= " << value/eV << " eV;" |
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355 | << G4endl; |
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356 | */ |
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357 | |
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358 | fMeanExcitationEnergy = value; |
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359 | fLogMeanExcEnergy = std::log(value); |
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360 | ComputeDensityEffect(); |
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361 | ComputeFluctModel(); |
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362 | } |
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363 | |
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364 | //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo.... ....oooOO0OOooo.... |
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365 | |
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366 | G4double G4IonisParamMat::FindMeanExcitationEnergy(const G4String& chFormula) |
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367 | { |
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368 | |
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369 | // The data on mean excitation energy for compaunds |
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370 | // from "Stopping Powers for Electrons and Positrons" |
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371 | // ICRU Report N#37, 1984 (energy in eV) |
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372 | |
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373 | const size_t numberOfMolecula = 79 ; |
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374 | |
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375 | static G4String name[numberOfMolecula] = { |
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376 | |
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377 | // gas |
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378 | "NH_3", "C_4H_10", "CO_2", "C_2H_6", "C_7H_16", |
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379 | "C_6H_14", "CH_4", "NO", "N_2O", "C_8H_18", |
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380 | "C_5H_12", "C_3H_8", "H_2O-Gas", |
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381 | |
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382 | // liquid |
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383 | "C_3H_6O", "C_6H_5NH_2", "C_6H_6", "C_4H_9OH", "CCl_4", |
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384 | "C_6H_5Cl", "CHCl_3", "C_6H_12", "C_6H_4Cl_2", "C_4Cl_2H_8O", |
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385 | "C_2Cl_2H_4", "(C_2H_5)_2O", "C_2H_5OH", "C_3H_5(OH)_3","C_7H_16", |
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386 | "C_6H_14", "CH_3OH", "C_6H_5NO_2","C_5H_12", "C_3H_7OH", |
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387 | "C_5H_5N", "C_8H_8", "C_2Cl_4", "C_7H_8", "C_2Cl_3H", |
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388 | "H_2O", "C_8H_10", |
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389 | |
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390 | //solid |
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391 | "C_5H_5N_5", "C_5H_5N_5O", "(C_6H_11NO)-nylon", "C_25H_52", |
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392 | "(C_2H_4)-Polyethylene", "(C_5H_8O-2)-Polymethil_Methacrylate", |
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393 | "(C_8H_8)-Polystyrene", "A-150-tissue", "Al_2O_3", "CaF_2", |
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394 | "LiF", "Photo_Emulsion", "(C_2F_4)-Teflon", "SiO_2" |
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395 | |
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396 | } ; |
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397 | |
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398 | static G4double meanExcitation[numberOfMolecula] = { |
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399 | |
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400 | 53.7, 48.3, 85.0, 45.4, 49.2, |
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401 | 49.1, 41.7, 87.8, 84.9, 49.5, |
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402 | 48.2, 47.1, 71.6, |
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403 | |
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404 | 64.2, 66.2, 63.4, 59.9, 166.3, |
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405 | 89.1, 156.0, 56.4, 106.5, 103.3, |
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406 | 111.9, 60.0, 62.9, 72.6, 54.4, |
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407 | 54.0, 67.6, 75.8, 53.6, 61.1, |
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408 | 66.2, 64.0, 159.2, 62.5, 148.1, |
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409 | 75.0, 61.8, |
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410 | |
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411 | 71.4, 75.0, 63.9, 48.3, 57.4, |
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412 | 74.0, 68.7, 65.1, 145.2, 166., |
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413 | 94.0, 331.0, 99.1, 139.2 |
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414 | |
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415 | } ; |
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416 | |
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417 | G4double x = fMeanExcitationEnergy; |
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418 | |
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419 | for(size_t i=0; i<numberOfMolecula; i++) { |
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420 | if(chFormula == name[i]) { |
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421 | x = meanExcitation[i]*eV; |
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422 | break; |
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423 | } |
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424 | } |
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425 | return x; |
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426 | } |
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427 | |
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428 | //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo.... ....oooOO0OOooo.... |
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429 | |
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430 | G4IonisParamMat::~G4IonisParamMat() |
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431 | { |
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432 | if (fShellCorrectionVector) { delete [] fShellCorrectionVector; } |
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433 | if (fDensityData) { delete fDensityData; } |
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434 | fDensityData = 0; |
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435 | } |
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436 | |
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437 | //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo.... ....oooOO0OOooo.... |
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438 | |
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439 | G4IonisParamMat::G4IonisParamMat(const G4IonisParamMat& right) |
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440 | { |
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441 | *this = right; |
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442 | } |
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443 | |
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444 | //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo.... ....oooOO0OOooo.... |
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445 | |
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446 | const G4IonisParamMat& G4IonisParamMat::operator=(const G4IonisParamMat& right) |
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447 | { |
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448 | if (this != &right) |
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449 | { |
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450 | fMaterial = right.fMaterial; |
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451 | fMeanExcitationEnergy = right.fMeanExcitationEnergy; |
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452 | fLogMeanExcEnergy = right.fLogMeanExcEnergy; |
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453 | if (fShellCorrectionVector) delete [] fShellCorrectionVector; |
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454 | fShellCorrectionVector = new G4double[3]; |
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455 | fShellCorrectionVector[0] = right.fShellCorrectionVector[0]; |
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456 | fShellCorrectionVector[1] = right.fShellCorrectionVector[1]; |
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457 | fShellCorrectionVector[2] = right.fShellCorrectionVector[2]; |
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458 | fTaul = right.fTaul; |
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459 | fCdensity = right.fCdensity; |
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460 | fMdensity = right.fMdensity; |
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461 | fAdensity = right.fAdensity; |
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462 | fX0density = right.fX0density; |
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463 | fX1density = right.fX1density; |
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464 | fD0density = right.fD0density; |
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465 | fPlasmaEnergy = right.fPlasmaEnergy; |
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466 | fAdjustmentFactor = right.fAdjustmentFactor; |
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467 | fF1fluct = right.fF1fluct; |
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468 | fF2fluct = right.fF2fluct; |
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469 | fEnergy1fluct = right.fEnergy1fluct; |
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470 | fLogEnergy1fluct = right.fLogEnergy1fluct; |
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471 | fEnergy2fluct = right.fEnergy2fluct; |
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472 | fLogEnergy2fluct = right.fLogEnergy2fluct; |
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473 | fEnergy0fluct = right.fEnergy0fluct; |
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474 | fRateionexcfluct = right.fRateionexcfluct; |
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475 | fZeff = right.fZeff; |
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476 | fFermiEnergy = right.fFermiEnergy; |
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477 | fLfactor = right.fLfactor; |
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478 | fBirks = right.fBirks; |
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479 | fMeanEnergyPerIon = right.fMeanEnergyPerIon; |
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480 | fDensityData = right.fDensityData; |
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481 | } |
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482 | return *this; |
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483 | } |
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484 | |
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485 | //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo.... ....oooOO0OOooo.... |
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486 | |
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487 | G4int G4IonisParamMat::operator==(const G4IonisParamMat& right) const |
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488 | { |
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489 | return (this == (G4IonisParamMat*) &right); |
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490 | } |
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491 | |
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492 | //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo.... ....oooOO0OOooo.... |
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493 | |
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494 | G4int G4IonisParamMat::operator!=(const G4IonisParamMat& right) const |
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495 | { |
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496 | return (this != (G4IonisParamMat*) &right); |
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497 | } |
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498 | |
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499 | //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo.... ....oooOO0OOooo.... |
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500 | |
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