[822] | 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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[850] | 27 | // $Id: G4IonisParamMat.cc,v 1.25 2008/07/08 10:34:56 vnivanch Exp $ |
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[986] | 28 | // GEANT4 tag $Name: geant4-09-02-ref-02 $ |
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[822] | 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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[850] | 41 | // 04-03-08, remove reference to G4NistManager. Add fBirks constant (mma) |
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[822] | 42 | |
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| 43 | //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo.... ....oooOO0OOooo.... |
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| 44 | |
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| 45 | #include "G4IonisParamMat.hh" |
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| 46 | #include "G4Material.hh" |
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| 47 | |
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| 48 | //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo.... ....oooOO0OOooo.... |
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| 49 | |
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| 50 | G4IonisParamMat::G4IonisParamMat(G4Material* material) |
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| 51 | : fMaterial(material) |
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| 52 | { |
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| 53 | ComputeMeanParameters(); |
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| 54 | ComputeDensityEffect(); |
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| 55 | ComputeFluctModel(); |
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| 56 | ComputeIonParameters(); |
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[850] | 57 | |
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| 58 | fBirks = 0.; |
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| 59 | fMeanEnergyPerIon = 0.; |
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[822] | 60 | } |
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| 61 | |
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| 62 | //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo.... ....oooOO0OOooo.... |
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| 63 | |
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| 64 | // Fake default constructor - sets only member data and allocates memory |
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| 65 | // for usage restricted to object persistency |
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| 66 | |
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| 67 | G4IonisParamMat::G4IonisParamMat(__void__&) |
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| 68 | : fMaterial(0), fShellCorrectionVector(0) |
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| 69 | { |
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| 70 | } |
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| 71 | |
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| 72 | //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo.... ....oooOO0OOooo.... |
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| 73 | |
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| 74 | void G4IonisParamMat::ComputeMeanParameters() |
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| 75 | { |
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| 76 | // compute mean excitation energy and shell correction vector |
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| 77 | |
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| 78 | fTaul = (*(fMaterial->GetElementVector()))[0]->GetIonisation()->GetTaul(); |
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| 79 | |
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| 80 | fMeanExcitationEnergy = 0.; |
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| 81 | fLogMeanExcEnergy = 0.; |
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| 82 | |
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[850] | 83 | size_t nElements = fMaterial->GetNumberOfElements(); |
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| 84 | const G4ElementVector* elmVector = fMaterial->GetElementVector(); |
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| 85 | const G4double* nAtomsPerVolume = fMaterial->GetVecNbOfAtomsPerVolume(); |
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[822] | 86 | |
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[850] | 87 | const G4String ch = fMaterial->GetChemicalFormula(); |
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| 88 | |
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| 89 | if(ch != "") fMeanExcitationEnergy = FindMeanExcitationEnergy(ch); |
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| 90 | |
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| 91 | // Chemical formula defines mean excitation energy |
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| 92 | if(fMeanExcitationEnergy > 0.0) { |
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| 93 | fLogMeanExcEnergy = std::log(fMeanExcitationEnergy); |
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| 94 | |
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| 95 | // Compute average |
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| 96 | } else { |
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| 97 | for (size_t i=0; i < nElements; i++) { |
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| 98 | const G4Element* elm = (*elmVector)[i]; |
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| 99 | fLogMeanExcEnergy += nAtomsPerVolume[i]*elm->GetZ() |
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| 100 | *std::log(elm->GetIonisation()->GetMeanExcitationEnergy()); |
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| 101 | } |
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| 102 | fLogMeanExcEnergy /= fMaterial->GetTotNbOfElectPerVolume(); |
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| 103 | fMeanExcitationEnergy = std::exp(fLogMeanExcEnergy); |
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[822] | 104 | } |
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| 105 | |
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| 106 | fShellCorrectionVector = new G4double[3]; //[3] |
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| 107 | |
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| 108 | for (G4int j=0; j<=2; j++) |
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| 109 | { |
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| 110 | fShellCorrectionVector[j] = 0.; |
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| 111 | |
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[850] | 112 | for (size_t k=0; k<nElements; k++) { |
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| 113 | fShellCorrectionVector[j] += nAtomsPerVolume[k] |
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| 114 | *(((*elmVector)[k])->GetIonisation()->GetShellCorrectionVector())[j]; |
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[822] | 115 | } |
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| 116 | fShellCorrectionVector[j] *= 2.0/fMaterial->GetTotNbOfElectPerVolume(); |
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| 117 | } |
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| 118 | } |
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| 119 | |
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| 120 | //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo.... ....oooOO0OOooo.... |
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| 121 | |
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| 122 | void G4IonisParamMat::ComputeDensityEffect() |
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| 123 | { |
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| 124 | // Compute parameters for the density effect correction in DE/Dx formula. |
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| 125 | // The parametrization is from R.M. Sternheimer, Phys. Rev.B,3:3681 (1971) |
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| 126 | |
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| 127 | const G4double Cd2 = 4*pi*hbarc_squared*classic_electr_radius; |
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| 128 | const G4double twoln10 = 2.*std::log(10.); |
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| 129 | |
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| 130 | G4int icase; |
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| 131 | |
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| 132 | fCdensity = 1. + std::log(fMeanExcitationEnergy*fMeanExcitationEnergy |
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| 133 | /(Cd2*fMaterial->GetTotNbOfElectPerVolume())); |
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| 134 | |
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| 135 | // |
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| 136 | // condensed materials |
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| 137 | // |
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| 138 | G4State State = fMaterial->GetState(); |
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| 139 | |
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| 140 | if ((State == kStateSolid)||(State == kStateLiquid)) { |
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| 141 | |
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| 142 | const G4double E100eV = 100.*eV; |
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| 143 | const G4double ClimiS[] = {3.681 , 5.215 }; |
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| 144 | const G4double X0valS[] = {1.0 , 1.5 }; |
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| 145 | const G4double X1valS[] = {2.0 , 3.0 }; |
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| 146 | |
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| 147 | if(fMeanExcitationEnergy < E100eV) icase = 0; |
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| 148 | else icase = 1; |
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| 149 | |
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| 150 | if(fCdensity < ClimiS[icase]) fX0density = 0.2; |
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| 151 | else fX0density = 0.326*fCdensity-X0valS[icase]; |
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| 152 | |
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| 153 | fX1density = X1valS[icase] ; fMdensity = 3.0; |
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| 154 | |
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| 155 | //special: Hydrogen |
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| 156 | if ((fMaterial->GetNumberOfElements()==1)&&(fMaterial->GetZ()==1.)) { |
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| 157 | fX0density = 0.425; fX1density = 2.0; fMdensity = 5.949; |
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| 158 | } |
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| 159 | } |
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| 160 | |
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| 161 | // |
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| 162 | // gases |
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| 163 | // |
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| 164 | if (State == kStateGas) { |
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| 165 | |
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| 166 | const G4double ClimiG[] = { 10. , 10.5 , 11. , 11.5 , 12.25 , 13.804}; |
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| 167 | const G4double X0valG[] = { 1.6 , 1.7 , 1.8 , 1.9 , 2.0 , 2.0 }; |
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| 168 | const G4double X1valG[] = { 4.0 , 4.0 , 4.0 , 4.0 , 4.0 , 5.0 }; |
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| 169 | |
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| 170 | icase = 5; |
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| 171 | fX0density = 0.326*fCdensity-2.5 ; fX1density = 5.0 ; fMdensity = 3. ; |
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| 172 | while((icase > 0)&&(fCdensity < ClimiG[icase])) icase-- ; |
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| 173 | fX0density = X0valG[icase] ; fX1density = X1valG[icase] ; |
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| 174 | |
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| 175 | //special: Hydrogen |
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| 176 | if ((fMaterial->GetNumberOfElements()==1)&&(fMaterial->GetZ()==1.)) { |
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| 177 | fX0density = 1.837; fX1density = 3.0; fMdensity = 4.754; |
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| 178 | } |
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| 179 | |
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| 180 | //special: Helium |
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| 181 | if ((fMaterial->GetNumberOfElements()==1)&&(fMaterial->GetZ()==2.)) { |
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| 182 | fX0density = 2.191; fX1density = 3.0; fMdensity = 3.297; |
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| 183 | } |
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| 184 | |
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| 185 | // change parameters if the gas is not in STP. |
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| 186 | // For the correction the density(STP) is needed. |
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| 187 | // Density(STP) is calculated here : |
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| 188 | |
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| 189 | G4double Density = fMaterial->GetDensity(); |
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| 190 | G4double Pressure = fMaterial->GetPressure(); |
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| 191 | G4double Temp = fMaterial->GetTemperature(); |
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| 192 | |
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| 193 | G4double DensitySTP = Density*STP_Pressure*Temp/(Pressure*STP_Temperature); |
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| 194 | |
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| 195 | G4double ParCorr = std::log(Density/DensitySTP); |
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| 196 | |
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| 197 | fCdensity -= ParCorr; |
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| 198 | fX0density -= ParCorr/twoln10; |
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| 199 | fX1density -= ParCorr/twoln10; |
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| 200 | } |
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| 201 | |
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| 202 | G4double Xa = fCdensity/twoln10; |
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| 203 | fAdensity = twoln10*(Xa-fX0density) |
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| 204 | /std::pow((fX1density-fX0density),fMdensity); |
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| 205 | } |
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| 206 | |
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| 207 | //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo.... ....oooOO0OOooo.... |
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| 208 | |
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| 209 | void G4IonisParamMat::ComputeFluctModel() |
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| 210 | { |
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| 211 | // compute parameters for the energy loss fluctuation model |
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| 212 | |
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| 213 | // need an 'effective Z' ????? |
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| 214 | G4double Zeff = 0.; |
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[850] | 215 | for (size_t i=0;i<fMaterial->GetNumberOfElements();i++) { |
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[822] | 216 | Zeff += (fMaterial->GetFractionVector())[i] |
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| 217 | *((*(fMaterial->GetElementVector()))[i]->GetZ()); |
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[850] | 218 | } |
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[822] | 219 | if (Zeff > 2.) fF2fluct = 2./Zeff ; |
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| 220 | else fF2fluct = 0.; |
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| 221 | |
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| 222 | fF1fluct = 1. - fF2fluct; |
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| 223 | fEnergy2fluct = 10.*Zeff*Zeff*eV; |
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| 224 | fLogEnergy2fluct = std::log(fEnergy2fluct); |
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| 225 | fLogEnergy1fluct = (fLogMeanExcEnergy - fF2fluct*fLogEnergy2fluct) |
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| 226 | /fF1fluct; |
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| 227 | fEnergy1fluct = std::exp(fLogEnergy1fluct); |
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| 228 | fEnergy0fluct = 10.*eV; |
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| 229 | fRateionexcfluct = 0.4; |
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| 230 | } |
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| 231 | |
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| 232 | //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo.... ....oooOO0OOooo.... |
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| 233 | |
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| 234 | void G4IonisParamMat::ComputeIonParameters() |
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| 235 | { |
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| 236 | // get elements in the actual material, |
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| 237 | const G4ElementVector* theElementVector = fMaterial->GetElementVector() ; |
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| 238 | const G4double* theAtomicNumDensityVector = |
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| 239 | fMaterial->GetAtomicNumDensityVector() ; |
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| 240 | const G4int NumberOfElements = fMaterial->GetNumberOfElements() ; |
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| 241 | |
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| 242 | // loop for the elements in the material |
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| 243 | // to find out average values Z, vF, lF |
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| 244 | G4double z = 0.0, vF = 0.0, lF = 0.0, norm = 0.0 ; |
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| 245 | |
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| 246 | if( 1 == NumberOfElements ) { |
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[850] | 247 | const G4Element* element = (*theElementVector)[0]; |
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| 248 | z = element->GetZ(); |
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| 249 | vF= element->GetIonisation()->GetFermiVelocity(); |
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| 250 | lF= element->GetIonisation()->GetLFactor(); |
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[822] | 251 | |
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| 252 | } else { |
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| 253 | for (G4int iel=0; iel<NumberOfElements; iel++) |
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| 254 | { |
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| 255 | const G4Element* element = (*theElementVector)[iel] ; |
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| 256 | const G4double weight = theAtomicNumDensityVector[iel] ; |
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| 257 | norm += weight ; |
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[850] | 258 | z += element->GetZ() * weight ; |
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| 259 | vF += element->GetIonisation()->GetFermiVelocity() * weight ; |
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| 260 | lF += element->GetIonisation()->GetLFactor() * weight ; |
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[822] | 261 | } |
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| 262 | z /= norm ; |
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| 263 | vF /= norm ; |
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| 264 | lF /= norm ; |
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| 265 | } |
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| 266 | fZeff = z; |
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| 267 | fLfactor = lF; |
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| 268 | fFermiEnergy = 25.*keV*vF*vF; |
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| 269 | } |
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| 270 | |
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| 271 | //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo.... ....oooOO0OOooo.... |
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| 272 | |
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| 273 | void G4IonisParamMat::SetMeanExcitationEnergy(G4double value) |
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| 274 | { |
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| 275 | if(value == fMeanExcitationEnergy || value <= 0.0) return; |
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| 276 | |
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[850] | 277 | /* |
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[822] | 278 | if (G4NistManager::Instance()->GetVerbose() > 0) |
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| 279 | G4cout << "G4Material: Mean excitation energy is changed for " |
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| 280 | << fMaterial->GetName() |
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| 281 | << " Iold= " << fMeanExcitationEnergy/eV |
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| 282 | << "eV; Inew= " << value/eV << " eV;" |
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| 283 | << G4endl; |
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[850] | 284 | */ |
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| 285 | |
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[822] | 286 | fMeanExcitationEnergy = value; |
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| 287 | fLogMeanExcEnergy = std::log(value); |
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| 288 | ComputeDensityEffect(); |
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| 289 | ComputeFluctModel(); |
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| 290 | } |
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| 291 | |
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| 292 | //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo.... ....oooOO0OOooo.... |
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| 293 | |
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| 294 | G4double G4IonisParamMat::FindMeanExcitationEnergy(const G4String& chFormula) |
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| 295 | { |
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| 296 | |
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| 297 | // The data on mean excitation energy for compaunds |
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| 298 | // from "Stopping Powers for Electrons and Positrons" |
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| 299 | // ICRU Report N#37, 1984 (energy in eV) |
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| 300 | |
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| 301 | const size_t numberOfMolecula = 79 ; |
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| 302 | |
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| 303 | static G4String name[numberOfMolecula] = { |
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| 304 | |
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| 305 | // gas |
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| 306 | "NH_3", "C_4H_10", "CO_2", "C_2H_6", "C_7H_16", |
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| 307 | "C_6H_14", "CH_4", "NO", "N_2O", "C_8H_18", |
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| 308 | "C_5H_12", "C_3H_8", "H_2O-Gas", |
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| 309 | |
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| 310 | // liquid |
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| 311 | "C_3H_6O", "C_6H_5NH_2", "C_6H_6", "C_4H_9OH", "CCl_4", |
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| 312 | "C_6H_5Cl", "CHCl_3", "C_6H_12", "C_6H_4Cl_2", "C_4Cl_2H_8O", |
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| 313 | "C_2Cl_2H_4", "(C_2H_5)_2O", "C_2H_5OH", "C_3H_5(OH)_3","C_7H_16", |
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| 314 | "C_6H_14", "CH_3OH", "C_6H_5NO_2","C_5H_12", "C_3H_7OH", |
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| 315 | "C_5H_5N", "C_8H_8", "C_2Cl_4", "C_7H_8", "C_2Cl_3H", |
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| 316 | "H_2O", "C_8H_10", |
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| 317 | |
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| 318 | //solid |
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| 319 | "C_5H_5N_5", "C_5H_5N_5O", "(C_6H_11NO)-nylon", "C_25H_52", |
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| 320 | "(C_2H_4)-Polyethylene", "(C_5H_8O-2)-Polymethil_Methacrylate", |
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| 321 | "(C_8H_8)-Polystyrene", "A-150-tissue", "Al_2O_3", "CaF_2", |
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| 322 | "LiF", "Photo_Emulsion", "(C_2F_4)-Teflon", "SiO_2" |
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| 323 | |
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| 324 | } ; |
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| 325 | |
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| 326 | static G4double meanExcitation[numberOfMolecula] = { |
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| 327 | |
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| 328 | 53.7, 48.3, 85.0, 45.4, 49.2, |
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| 329 | 49.1, 41.7, 87.8, 84.9, 49.5, |
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| 330 | 48.2, 47.1, 71.6, |
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| 331 | |
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| 332 | 64.2, 66.2, 63.4, 59.9, 166.3, |
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| 333 | 89.1, 156.0, 56.4, 106.5, 103.3, |
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| 334 | 111.9, 60.0, 62.9, 72.6, 54.4, |
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| 335 | 54.0, 67.6, 75.8, 53.6, 61.1, |
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| 336 | 66.2, 64.0, 159.2, 62.5, 148.1, |
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| 337 | 75.0, 61.8, |
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| 338 | |
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| 339 | 71.4, 75.0, 63.9, 48.3, 57.4, |
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| 340 | 74.0, 68.7, 65.1, 145.2, 166., |
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| 341 | 94.0, 331.0, 99.1, 139.2 |
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| 342 | |
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| 343 | } ; |
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| 344 | |
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| 345 | G4double x = fMeanExcitationEnergy; |
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| 346 | |
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| 347 | for(size_t i=0; i<numberOfMolecula; i++) { |
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| 348 | if(chFormula == name[i]) { |
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| 349 | x = meanExcitation[i]*eV; |
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| 350 | break; |
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| 351 | } |
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| 352 | } |
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| 353 | return x; |
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| 354 | } |
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| 355 | |
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| 356 | //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo.... ....oooOO0OOooo.... |
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| 357 | |
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| 358 | G4IonisParamMat::~G4IonisParamMat() |
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| 359 | { |
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| 360 | if (fShellCorrectionVector) delete [] fShellCorrectionVector; |
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| 361 | } |
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| 362 | |
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| 363 | //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo.... ....oooOO0OOooo.... |
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| 364 | |
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| 365 | G4IonisParamMat::G4IonisParamMat(const G4IonisParamMat& right) |
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| 366 | { |
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| 367 | *this = right; |
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| 368 | } |
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| 369 | |
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| 370 | //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo.... ....oooOO0OOooo.... |
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| 371 | |
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| 372 | const G4IonisParamMat& G4IonisParamMat::operator=(const G4IonisParamMat& right) |
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| 373 | { |
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| 374 | if (this != &right) |
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| 375 | { |
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| 376 | fMaterial = right.fMaterial; |
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| 377 | fMeanExcitationEnergy = right.fMeanExcitationEnergy; |
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| 378 | fLogMeanExcEnergy = right.fLogMeanExcEnergy; |
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| 379 | if (fShellCorrectionVector) delete [] fShellCorrectionVector; |
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| 380 | fShellCorrectionVector = new G4double[3]; |
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| 381 | fShellCorrectionVector[0] = right.fShellCorrectionVector[0]; |
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| 382 | fShellCorrectionVector[1] = right.fShellCorrectionVector[1]; |
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| 383 | fShellCorrectionVector[2] = right.fShellCorrectionVector[2]; |
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| 384 | fTaul = right.fTaul; |
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| 385 | fCdensity = right.fCdensity; |
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| 386 | fMdensity = right.fMdensity; |
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| 387 | fAdensity = right.fAdensity; |
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| 388 | fX0density = right.fX0density; |
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| 389 | fX1density = right.fX1density; |
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| 390 | fF1fluct = right.fF1fluct; |
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| 391 | fF2fluct = right.fF2fluct; |
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| 392 | fEnergy1fluct = right.fEnergy1fluct; |
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| 393 | fLogEnergy1fluct = right.fLogEnergy1fluct; |
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| 394 | fEnergy2fluct = right.fEnergy2fluct; |
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| 395 | fLogEnergy2fluct = right.fLogEnergy2fluct; |
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| 396 | fEnergy0fluct = right.fEnergy0fluct; |
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| 397 | fRateionexcfluct = right.fRateionexcfluct; |
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| 398 | } |
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| 399 | return *this; |
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| 400 | } |
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| 401 | |
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| 402 | //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo.... ....oooOO0OOooo.... |
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| 403 | |
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| 404 | G4int G4IonisParamMat::operator==(const G4IonisParamMat& right) const |
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| 405 | { |
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| 406 | return (this == (G4IonisParamMat*) &right); |
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| 407 | } |
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| 408 | |
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| 409 | //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo.... ....oooOO0OOooo.... |
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| 410 | |
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| 411 | G4int G4IonisParamMat::operator!=(const G4IonisParamMat& right) const |
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| 412 | { |
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| 413 | return (this != (G4IonisParamMat*) &right); |
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| 414 | } |
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| 415 | |
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| 416 | //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo.... ....oooOO0OOooo.... |
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| 417 | |
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