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geant4/source/materials/src/G4IonisParamMat.cc
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2016-06-09 14:36:02 +02:00

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//
// ********************************************************************
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// * *
// * The following disclaimer summarizes all the specific disclaimers *
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// * govern, are listed with their locations in: *
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// * institutes,nor the agencies providing financial support for this *
// * work make any representation or warranty, express or implied, *
// * regarding this software system or assume any liability for its *
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// * This code implementation is the intellectual property of the *
// * GEANT4 collaboration. *
// * By copying, distributing or modifying the Program (or any work *
// * based on the Program) you indicate your acceptance of this *
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//
//
// $Id: G4IonisParamMat.cc,v 1.17 2005/11/18 14:54:30 gcosmo Exp $
// GEANT4 tag $Name: geant4-08-00 $
//
//
//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo.... ....oooOO0OOooo....
// 10-05-05, add a missing coma in FindMeanExcitationEnergy() - Bug#746 (mma)
// 06-09-04, factor 2 to shell correction term (V.Ivanchenko)
// 28-10-02, add setMeanExcitationEnergy (V.Ivanchenko)
// 08-02-01, fShellCorrectionVector correctly handled (mma)
// 16-01-01, bug corrected in ComputeDensityEffect() E100eV (L.Urban)
// 18-07-98, bug corrected in ComputeDensityEffect() for gas
// 09-07-98, data moved from G4Material, M.Maire
//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo.... ....oooOO0OOooo....
#include "G4IonisParamMat.hh"
#include "G4Material.hh"
#include "G4NistManager.hh"
//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo.... ....oooOO0OOooo....
G4IonisParamMat::G4IonisParamMat(G4Material* material)
: fMaterial(material)
{
ComputeMeanParameters();
ComputeDensityEffect();
ComputeFluctModel();
}
//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo.... ....oooOO0OOooo....
// Fake default constructor - sets only member data and allocates memory
// for usage restricted to object persistency
G4IonisParamMat::G4IonisParamMat(__void__&)
: fMaterial(0), fShellCorrectionVector(0)
{
}
//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo.... ....oooOO0OOooo....
void G4IonisParamMat::ComputeMeanParameters()
{
// compute mean excitation energy and shell correction vector
fTaul = (*(fMaterial->GetElementVector()))[0]->GetIonisation()->GetTaul();
fMeanExcitationEnergy = 0.;
fLogMeanExcEnergy = 0.;
for (size_t i=0; i < fMaterial->GetNumberOfElements(); i++) {
fLogMeanExcEnergy +=
(fMaterial->GetVecNbOfAtomsPerVolume())[i]
*((*(fMaterial->GetElementVector()))[i]->GetZ())
*std::log((*(fMaterial->GetElementVector()))[i]->GetIonisation()
->GetMeanExcitationEnergy());
}
fLogMeanExcEnergy /= fMaterial->GetTotNbOfElectPerVolume();
fMeanExcitationEnergy = std::exp(fLogMeanExcEnergy);
fShellCorrectionVector = new G4double[3]; //[3]
for (G4int j=0; j<=2; j++)
{
fShellCorrectionVector[j] = 0.;
for (size_t k=0; k<fMaterial->GetNumberOfElements(); k++) {
fShellCorrectionVector[j] += (fMaterial->GetVecNbOfAtomsPerVolume())[k]
*((*(fMaterial->GetElementVector()))[k]->GetIonisation()
->GetShellCorrectionVector()[j]);
}
fShellCorrectionVector[j] *= 2.0/fMaterial->GetTotNbOfElectPerVolume();
}
}
//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo.... ....oooOO0OOooo....
void G4IonisParamMat::ComputeDensityEffect()
{
// Compute parameters for the density effect correction in DE/Dx formula.
// The parametrization is from R.M. Sternheimer, Phys. Rev.B,3:3681 (1971)
const G4double Cd2 = 4*pi*hbarc_squared*classic_electr_radius;
const G4double twoln10 = 2.*std::log(10.);
G4int icase;
fCdensity = 1. + std::log(fMeanExcitationEnergy*fMeanExcitationEnergy
/(Cd2*fMaterial->GetTotNbOfElectPerVolume()));
//
// condensed materials
//
G4State State = fMaterial->GetState();
if ((State == kStateSolid)||(State == kStateLiquid)) {
const G4double E100eV = 100.*eV;
const G4double ClimiS[] = {3.681 , 5.215 };
const G4double X0valS[] = {1.0 , 1.5 };
const G4double X1valS[] = {2.0 , 3.0 };
if(fMeanExcitationEnergy < E100eV) icase = 0;
else icase = 1;
if(fCdensity < ClimiS[icase]) fX0density = 0.2;
else fX0density = 0.326*fCdensity-X0valS[icase];
fX1density = X1valS[icase] ; fMdensity = 3.0;
//special: Hydrogen
if ((fMaterial->GetNumberOfElements()==1)&&(fMaterial->GetZ()==1.)) {
fX0density = 0.425; fX1density = 2.0; fMdensity = 5.949;
}
}
//
// gases
//
if (State == kStateGas) {
const G4double ClimiG[] = { 10. , 10.5 , 11. , 11.5 , 12.25 , 13.804};
const G4double X0valG[] = { 1.6 , 1.7 , 1.8 , 1.9 , 2.0 , 2.0 };
const G4double X1valG[] = { 4.0 , 4.0 , 4.0 , 4.0 , 4.0 , 5.0 };
icase = 5;
fX0density = 0.326*fCdensity-2.5 ; fX1density = 5.0 ; fMdensity = 3. ;
while((icase > 0)&&(fCdensity < ClimiG[icase])) icase-- ;
fX0density = X0valG[icase] ; fX1density = X1valG[icase] ;
//special: Hydrogen
if ((fMaterial->GetNumberOfElements()==1)&&(fMaterial->GetZ()==1.)) {
fX0density = 1.837; fX1density = 3.0; fMdensity = 4.754;
}
//special: Helium
if ((fMaterial->GetNumberOfElements()==1)&&(fMaterial->GetZ()==2.)) {
fX0density = 2.191; fX1density = 3.0; fMdensity = 3.297;
}
// change parameters if the gas is not in STP.
// For the correction the density(STP) is needed.
// Density(STP) is calculated here :
G4double Density = fMaterial->GetDensity();
G4double Pressure = fMaterial->GetPressure();
G4double Temp = fMaterial->GetTemperature();
G4double DensitySTP = Density*STP_Pressure*Temp/(Pressure*STP_Temperature);
G4double ParCorr = std::log(Density/DensitySTP);
fCdensity -= ParCorr;
fX0density -= ParCorr/twoln10;
fX1density -= ParCorr/twoln10;
}
G4double Xa = fCdensity/twoln10;
fAdensity = twoln10*(Xa-fX0density)
/std::pow((fX1density-fX0density),fMdensity);
}
//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo.... ....oooOO0OOooo....
void G4IonisParamMat::ComputeFluctModel()
{
// compute parameters for the energy loss fluctuation model
// need an 'effective Z' ?????
G4double Zeff = 0.;
for (size_t i=0;i<fMaterial->GetNumberOfElements();i++)
Zeff += (fMaterial->GetFractionVector())[i]
*((*(fMaterial->GetElementVector()))[i]->GetZ());
if (Zeff > 2.) fF2fluct = 2./Zeff ;
else fF2fluct = 0.;
fF1fluct = 1. - fF2fluct;
fEnergy2fluct = 10.*Zeff*Zeff*eV;
fLogEnergy2fluct = std::log(fEnergy2fluct);
fLogEnergy1fluct = (fLogMeanExcEnergy - fF2fluct*fLogEnergy2fluct)
/fF1fluct;
fEnergy1fluct = std::exp(fLogEnergy1fluct);
fEnergy0fluct = 10.*eV;
fRateionexcfluct = 0.4;
}
//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo.... ....oooOO0OOooo....
void G4IonisParamMat::SetMeanExcitationEnergy(G4double value)
{
if(value == fMeanExcitationEnergy || value <= 0.0) return;
if (fMeanExcitationEnergy > 0.0 &&
G4NistManager::Instance()->GetVerbose() > 0) {
G4cout << "G4Material: Mean excitation energy is changed for "
<< fMaterial->GetName()
<< " Iold= " << fMeanExcitationEnergy/eV
<< "eV; Inew= " << value/eV << " eV;"
<< G4endl;
}
fMeanExcitationEnergy = value;
fLogMeanExcEnergy = std::log(value);
ComputeDensityEffect();
ComputeFluctModel();
}
//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo.... ....oooOO0OOooo....
G4double G4IonisParamMat::FindMeanExcitationEnergy(const G4String& chFormula)
{
// The data on mean excitation energy for compaunds
// from "Stopping Powers for Electrons and Positrons"
// ICRU Report N#37, 1984 (energy in eV)
const size_t numberOfMolecula = 79 ;
static G4String name[numberOfMolecula] = {
// gas
"NH_3", "C_4H_10", "CO_2", "C_2H_6", "C_7H_16",
"C_6H_14", "CH_4", "NO", "N_2O", "C_8H_18",
"C_5H_12", "C_3H_8", "H_2O-Gas",
// liquid
"C_3H_6O", "C_6H_5NH_2", "C_6H_6", "C_4H_9OH", "CCl_4",
"C_6H_5Cl", "CHCl_3", "C_6H_12", "C_6H_4Cl_2", "C_4Cl_2H_8O",
"C_2Cl_2H_4", "(C_2H_5)_2O", "C_2H_5OH", "C_3H_5(OH)_3","C_7H_16",
"C_6H_14", "CH_3OH", "C_6H_5NO_2","C_5H_12", "C_3H_7OH",
"C_5H_5N", "C_8H_8", "C_2Cl_4", "C_7H_8", "C_2Cl_3H",
"H_2O", "C_8H_10",
//solid
"C_5H_5N_5", "C_5H_5N_5O", "(C_6H_11NO)-nylon", "C_25H_52",
"(C_2H_4)-Polyethylene", "(C_5H_8O-2)-Polymethil_Methacrylate",
"(C_8H_8)-Polystyrene", "A-150-tissue", "Al_2O_3", "CaF_2",
"LiF", "Photo_Emulsion", "(C_2F_4)-Teflon", "SiO_2"
} ;
static G4double meanExcitation[numberOfMolecula] = {
53.7, 48.3, 85.0, 45.4, 49.2,
49.1, 41.7, 87.8, 84.9, 49.5,
48.2, 47.1, 71.6,
64.2, 66.2, 63.4, 59.9, 166.3,
89.1, 156.0, 56.4, 106.5, 103.3,
111.9, 60.0, 62.9, 72.6, 54.4,
54.0, 67.6, 75.8, 53.6, 61.1,
66.2, 64.0, 159.2, 62.5, 148.1,
75.0, 61.8,
71.4, 75.0, 63.9, 48.3, 57.4,
74.0, 68.7, 65.1, 145.2, 166.,
94.0, 331.0, 99.1, 139.2
} ;
G4double x = fMeanExcitationEnergy;
for(size_t i=0; i<numberOfMolecula; i++) {
if(chFormula == name[i]) {
x = meanExcitation[i]*eV;
break;
}
}
return x;
}
//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo.... ....oooOO0OOooo....
G4IonisParamMat::~G4IonisParamMat()
{
if (fShellCorrectionVector) delete [] fShellCorrectionVector;
}
//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo.... ....oooOO0OOooo....
G4IonisParamMat::G4IonisParamMat(const G4IonisParamMat& right)
{
*this = right;
}
//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo.... ....oooOO0OOooo....
const G4IonisParamMat& G4IonisParamMat::operator=(const G4IonisParamMat& right)
{
if (this != &right)
{
fMaterial = right.fMaterial;
fMeanExcitationEnergy = right.fMeanExcitationEnergy;
fLogMeanExcEnergy = right.fLogMeanExcEnergy;
if (fShellCorrectionVector) delete [] fShellCorrectionVector;
fShellCorrectionVector = new G4double[3];
fShellCorrectionVector[0] = right.fShellCorrectionVector[0];
fShellCorrectionVector[1] = right.fShellCorrectionVector[1];
fShellCorrectionVector[2] = right.fShellCorrectionVector[2];
fTaul = right.fTaul;
fCdensity = right.fCdensity;
fMdensity = right.fMdensity;
fAdensity = right.fAdensity;
fX0density = right.fX0density;
fX1density = right.fX1density;
fF1fluct = right.fF1fluct;
fF2fluct = right.fF2fluct;
fEnergy1fluct = right.fEnergy1fluct;
fLogEnergy1fluct = right.fLogEnergy1fluct;
fEnergy2fluct = right.fEnergy2fluct;
fLogEnergy2fluct = right.fLogEnergy2fluct;
fEnergy0fluct = right.fEnergy0fluct;
fRateionexcfluct = right.fRateionexcfluct;
}
return *this;
}
//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo.... ....oooOO0OOooo....
G4int G4IonisParamMat::operator==(const G4IonisParamMat& right) const
{
return (this == (G4IonisParamMat*) &right);
}
//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo.... ....oooOO0OOooo....
G4int G4IonisParamMat::operator!=(const G4IonisParamMat& right) const
{
return (this != (G4IonisParamMat*) &right);
}
//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo.... ....oooOO0OOooo....