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This commit is contained in:
Gabriele Cosmo
2019-06-28 11:59:04 +02:00
parent 28a70706e0
commit d0f911957d
1056 changed files with 95168 additions and 78160 deletions
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source/physics_lists/constructors/electromagnetic/src/G4EmDNAChemistry.cc
+3 -6
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@@ -508,15 +508,12 @@ void G4EmDNAChemistry::ConstructProcess()
}
else
{
pMoleculeDef->GetProcessManager()
->AddRestProcess(new G4DNAElectronHoleRecombination(), 2);
pMoleculeDef->GetProcessManager()->AddRestProcess(new G4DNAElectronHoleRecombination(), 2);
G4DNAMolecularDissociation* pDissociationProcess = new G4DNAMolecularDissociation("H2O_DNAMolecularDecay");
pDissociationProcess->SetDecayDisplacer(pMoleculeDef,
new G4DNAWaterDissociationDisplacer);
pDissociationProcess->SetDisplacer(pMoleculeDef, new G4DNAWaterDissociationDisplacer);
pDissociationProcess->SetVerboseLevel(1);
pMoleculeDef->GetProcessManager()
->AddRestProcess(pDissociationProcess, 1);
pMoleculeDef->GetProcessManager()->AddRestProcess(pDissociationProcess, 1);
}
}
source/physics_lists/constructors/electromagnetic/src/G4EmDNAChemistry_option1.cc
+1 -1
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@@ -528,7 +528,7 @@ void G4EmDNAChemistry_option1::ConstructProcess()
->AddRestProcess(new G4DNAElectronHoleRecombination(), 2);
G4DNAMolecularDissociation* dissociationProcess =
new G4DNAMolecularDissociation("H2O_DNAMolecularDecay");
dissociationProcess->SetDecayDisplacer(
dissociationProcess->SetDisplacer(
moleculeDef, new G4DNAWaterDissociationDisplacer);
dissociationProcess->SetVerboseLevel(1);
// ph->RegisterProcess(dissociationProcess, moleculeDef);
source/physics_lists/constructors/electromagnetic/src/G4EmDNAChemistry_option2.cc
+754
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@@ -0,0 +1,754 @@
//
// ********************************************************************
// * License and Disclaimer *
// * *
// * The Geant4 software is copyright of the Copyright Holders of *
// * the Geant4 Collaboration. It is provided under the terms and *
// * conditions of the Geant4 Software License, included in the file *
// * LICENSE and available at http://cern.ch/geant4/license . These *
// * include a list of copyright holders. *
// * *
// * Neither the authors of this software system, nor their employing *
// * 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 *
// * use. Please see the license in the file LICENSE and URL above *
// * for the full disclaimer and the limitation of liability. *
// * *
// * This code implementation is the result of the scientific and *
// * technical work of the GEANT4 collaboration. *
// * By using, copying, modifying or distributing the software (or *
// * any work based on the software) you agree to acknowledge its *
// * use in resulting scientific publications, and indicate your *
// * acceptance of all terms of the Geant4 Software license. *
// ********************************************************************
//
//
#include "G4EmDNAChemistry_option2.hh"
#include "G4DNAMolecule.hh"
#include "G4DNAChemistryManager.hh"
#include "G4DNASmoluchowskiReactionModel.hh"
#include "G4PhysicalConstants.hh"
#include "G4SystemOfUnits.hh"
#include "G4DNAWaterDissociationDisplacer.hh"
#include "G4DNAWaterExcitationStructure.hh"
#include "G4ProcessManager.hh"
#include "G4DNAElectronSolvation.hh"
#include "G4DNAVibExcitation.hh"
#include "G4DNAMolecularDissociation.hh"
#include "G4DNABrownianTransportation.hh"
#include "G4DNAMolecularReactionTable.hh"
#include "G4DNAMolecularStepByStepModel.hh"
#include "G4DNAElectronHoleRecombination.hh"
#include "G4Electron.hh"
#include "G4MoleculeTable.hh"
#include "G4H2O.hh"
#include "G4H2.hh"
#include "G4Hydrogen.hh"
#include "G4OH.hh"
#include "G4H3O.hh"
#include "G4Electron_aq.hh"
#include "G4H2O2.hh"
#include "G4PhysicsListHelper.hh"
#include "G4ProcessTable.hh"
#include "G4MolecularConfiguration.hh"
#include "G4PhysicsConstructorFactory.hh"
#include "G4VDNAReactionModel.hh"
G4_DECLARE_PHYSCONSTR_FACTORY(G4EmDNAChemistry_option2);
//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo....
G4EmDNAChemistry_option2::G4EmDNAChemistry_option2()
: G4VUserChemistryList(true)
{
G4DNAChemistryManager::Instance()->SetChemistryList(this);
}
//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
G4EmDNAChemistry_option2::~G4EmDNAChemistry_option2()
{}
//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
void G4EmDNAChemistry_option2::ConstructMolecule()
{
//-----------------------------------
G4Electron::Definition(); // safety
//-----------------------------------
G4H2O::Definition();
G4Hydrogen::Definition();
G4H3O::Definition();
G4OH::Definition();
G4Electron_aq::Definition();
G4H2O2::Definition();
G4H2::Definition();
G4Deoxyribose::Definition();
G4Phosphate::Definition();
G4Adenine::Definition();
G4Guanine::Definition();
G4Thymine::Definition();
G4Cytosine::Definition();
G4Histone::Definition();
//damaged molecules
G4DamagedDeoxyribose::Definition();
G4DamagedAdenine::Definition();
G4DamagedGuanine::Definition();
G4DamagedThymine::Definition();
G4DamagedCytosine::Definition();
G4ModifiedHistone::Definition();
//_________________species___________________________________________________________
G4MoleculeTable::Instance()->
CreateConfiguration("H3Op", G4H3O::Definition());
G4MolecularConfiguration* OHm = G4MoleculeTable::Instance()->
CreateConfiguration("OHm",
G4OH::Definition(),
-1, // charge
5.0e-9 * (m2 / s));
OHm->SetMass(17.0079 * g / Avogadro * c_squared);
G4MoleculeTable::Instance()->
CreateConfiguration("OH", G4OH::Definition());
G4MoleculeTable::Instance()->
CreateConfiguration("e_aq",G4Electron_aq::Definition());
G4MoleculeTable::Instance()->
CreateConfiguration("H",G4Hydrogen::Definition());
G4MoleculeTable::Instance()->
CreateConfiguration("H2", G4H2::Definition());
G4MoleculeTable::Instance()->
CreateConfiguration("H2O2", G4H2O2::Definition());
//________________DNA_______________________________________________
G4MoleculeTable::Instance()->
CreateConfiguration("Deoxyribose",G4Deoxyribose::Definition());
G4MoleculeTable::Instance()->
CreateConfiguration("Phosphate",G4Phosphate::Definition());
G4MoleculeTable::Instance()->
CreateConfiguration("Adenine",G4Adenine::Definition());
G4MoleculeTable::Instance()->
CreateConfiguration("Thymine",G4Thymine::Definition());
G4MoleculeTable::Instance()->
CreateConfiguration("Guanine",G4Guanine::Definition());
G4MoleculeTable::Instance()->
CreateConfiguration("Cytosine",G4Cytosine::Definition());
G4MoleculeTable::Instance()->
CreateConfiguration("Histone",G4Histone::Definition());
//damaged DNAElement Configuration
G4MoleculeTable::Instance()->
CreateConfiguration("Damaged_Deoxyribose",
G4DamagedDeoxyribose::Definition());
G4MoleculeTable::Instance()->
CreateConfiguration("Damaged_Adenine",
G4DamagedAdenine::Definition());
G4MoleculeTable::Instance()->
CreateConfiguration("Damaged_Thymine",
G4DamagedThymine::Definition());
G4MoleculeTable::Instance()->
CreateConfiguration("Damaged_Guanine",
G4DamagedGuanine::Definition());
G4MoleculeTable::Instance()->
CreateConfiguration("Damaged_Cytosine",
G4DamagedCytosine::Definition());
}
//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
void G4EmDNAChemistry_option2::ConstructDissociationChannels()
{
//-----------------------------------
//Get the molecular configuration
G4MolecularConfiguration* OH =
G4MoleculeTable::Instance()->GetConfiguration("OH");
G4MolecularConfiguration* OHm =
G4MoleculeTable::Instance()->GetConfiguration("OHm");
G4MolecularConfiguration* e_aq =
G4MoleculeTable::Instance()->GetConfiguration("e_aq");
G4MolecularConfiguration* H2 =
G4MoleculeTable::Instance()->GetConfiguration("H2");
G4MolecularConfiguration* H3O =
G4MoleculeTable::Instance()->GetConfiguration("H3Op");
G4MolecularConfiguration* H =
G4MoleculeTable::Instance()->GetConfiguration("H");
//-------------------------------------
//Define the decay channels
G4MoleculeDefinition* water = G4H2O::Definition();
G4MolecularDissociationChannel* decCh1;
G4MolecularDissociationChannel* decCh2;
G4ElectronOccupancy* occ = new G4ElectronOccupancy(
*(water->GetGroundStateElectronOccupancy()));
//////////////////////////////////////////////////////////
// EXCITATIONS //
//////////////////////////////////////////////////////////
G4DNAWaterExcitationStructure waterExcitation;
//--------------------------------------------------------
//---------------Excitation on the fifth layer------------
decCh1 = new G4MolecularDissociationChannel(
"A^1B_1_Relaxation");
decCh2 = new G4MolecularDissociationChannel(
"A^1B_1_DissociativeDecay");
//Decay 1 : OH + H
decCh1->SetEnergy(waterExcitation.ExcitationEnergy(0));
decCh1->SetProbability(0.35);
decCh1->SetDisplacementType(
G4DNAWaterDissociationDisplacer::NoDisplacement);
decCh2->AddProduct(OH);
decCh2->AddProduct(H);
decCh2->SetProbability(0.65);
decCh2->SetDisplacementType(
G4DNAWaterDissociationDisplacer::A1B1_DissociationDecay);
// water->AddExcitedState("A^1B_1");
// this is the transition form ground state to
occ->RemoveElectron(4, 1);
// the first unoccupied orbital: A^1B_1
occ->AddElectron(5, 1);
water->NewConfigurationWithElectronOccupancy("A^1B_1", *occ);
water->AddDecayChannel("A^1B_1", decCh1);
water->AddDecayChannel("A^1B_1", decCh2);
//--------------------------------------------------------
//---------------Excitation on the fourth layer-----------
decCh1 = new G4MolecularDissociationChannel(
"B^1A_1_Relaxation_Channel");
decCh2 = new G4MolecularDissociationChannel(
"B^1A_1_DissociativeDecay");
G4MolecularDissociationChannel* decCh3 =
new G4MolecularDissociationChannel("B^1A_1_AutoIonisation_Channel");
//Decay 1 : energy
decCh1->SetEnergy(waterExcitation.ExcitationEnergy(1));
decCh1->SetProbability(0.3);
//Decay 2 : 2OH + H_2
decCh2->AddProduct(H2);
decCh2->AddProduct(OH);
decCh2->AddProduct(OH);
decCh2->SetProbability(0.15);
decCh2->SetDisplacementType(
G4DNAWaterDissociationDisplacer::B1A1_DissociationDecay);
//Decay 3 : OH + H_3Op + e_aq
decCh3->AddProduct(OH);
decCh3->AddProduct(H3O);
decCh3->AddProduct(e_aq);
decCh3->SetProbability(0.55);
decCh3->SetDisplacementType(
G4DNAWaterDissociationDisplacer::AutoIonisation);
*occ = *(water->GetGroundStateElectronOccupancy());
occ->RemoveElectron(3); // this is the transition form ground state to
occ->AddElectron(5, 1); // the first unoccupied orbital: B^1A_1
water->NewConfigurationWithElectronOccupancy("B^1A_1", *occ);
water->AddDecayChannel("B^1A_1", decCh1);
water->AddDecayChannel("B^1A_1", decCh2);
water->AddDecayChannel("B^1A_1", decCh3);
//-------------------------------------------------------
//-------------------Excitation of 3rd layer-----------------
decCh1 = new G4MolecularDissociationChannel(
"Excitation3rdLayer_AutoIonisation_Channel");
decCh2 = new G4MolecularDissociationChannel(
"Excitation3rdLayer_Relaxation_Channel");
//Decay channel 1 : : OH + H_3Op + e_aq
decCh1->AddProduct(OH);
decCh1->AddProduct(H3O);
decCh1->AddProduct(e_aq);
decCh1->SetProbability(0.5);
decCh1->SetDisplacementType(
G4DNAWaterDissociationDisplacer::AutoIonisation);
//Decay channel 2 : energy
decCh2->SetEnergy(waterExcitation.ExcitationEnergy(2));
decCh2->SetProbability(0.5);
//Electronic configuration of this decay
*occ = *(water->GetGroundStateElectronOccupancy());
occ->RemoveElectron(2, 1);
occ->AddElectron(5, 1);
//Configure the water molecule
water->NewConfigurationWithElectronOccupancy(
"Excitation3rdLayer", *occ);
water->AddDecayChannel("Excitation3rdLayer", decCh1);
water->AddDecayChannel("Excitation3rdLayer", decCh2);
//-------------------------------------------------------
//-------------------Excitation of 2nd layer-----------------
decCh1 = new G4MolecularDissociationChannel(
"Excitation2ndLayer_AutoIonisation_Channel");
decCh2 = new G4MolecularDissociationChannel(
"Excitation2ndLayer_Relaxation_Channel");
//Decay Channel 1 : : OH + H_3Op + e_aq
decCh1->AddProduct(OH);
decCh1->AddProduct(H3O);
decCh1->AddProduct(e_aq);
decCh1->SetProbability(0.5);
decCh1->SetDisplacementType(
G4DNAWaterDissociationDisplacer::AutoIonisation);
//Decay channel 2 : energy
decCh2->SetEnergy(waterExcitation.ExcitationEnergy(3));
decCh2->SetProbability(0.5);
*occ = *(water->GetGroundStateElectronOccupancy());
occ->RemoveElectron(1, 1);
occ->AddElectron(5, 1);
water->NewConfigurationWithElectronOccupancy(
"Excitation2ndLayer", *occ);
water->AddDecayChannel("Excitation2ndLayer", decCh1);
water->AddDecayChannel("Excitation2ndLayer", decCh2);
//-------------------------------------------------------
//-------------------Excitation of 1st layer-----------------
decCh1 = new G4MolecularDissociationChannel(
"Excitation1stLayer_AutoIonisation_Channel");
decCh2 = new G4MolecularDissociationChannel(
"Excitation1stLayer_Relaxation_Channel");
*occ = *(water->GetGroundStateElectronOccupancy());
occ->RemoveElectron(0, 1);
occ->AddElectron(5, 1);
//Decay Channel 1 : : OH + H_3Op + e_aq
decCh1->AddProduct(OH);
decCh1->AddProduct(H3O);
decCh1->AddProduct(e_aq);
decCh1->SetProbability(0.5);
decCh1->SetDisplacementType(
G4DNAWaterDissociationDisplacer::AutoIonisation);
//Decay channel 2 : energy
decCh2->SetEnergy(waterExcitation.ExcitationEnergy(4));
decCh2->SetProbability(0.5);
water->NewConfigurationWithElectronOccupancy(
"Excitation1stLayer", *occ);
water->AddDecayChannel("Excitation1stLayer", decCh1);
water->AddDecayChannel("Excitation1stLayer", decCh2);
/////////////////////////////////////////////////////////
// IONISATION //
/////////////////////////////////////////////////////////
//--------------------------------------------------------
//------------------- Ionisation -------------------------
decCh1 = new G4MolecularDissociationChannel("Ionisation_Channel");
//Decay Channel 1 : : OH + H_3Op
decCh1->AddProduct(H3O);
decCh1->AddProduct(OH);
decCh1->SetProbability(1);
decCh1->SetDisplacementType(
G4DNAWaterDissociationDisplacer::Ionisation_DissociationDecay);
*occ = *(water->GetGroundStateElectronOccupancy());
occ->RemoveElectron(4, 1);
// this is a ionized h2O with a hole in its last orbital
water->NewConfigurationWithElectronOccupancy("Ionisation5", *occ);
water->AddDecayChannel("Ionisation5", decCh1);
*occ = *(water->GetGroundStateElectronOccupancy());
occ->RemoveElectron(3, 1);
water->NewConfigurationWithElectronOccupancy("Ionisation4", *occ);
water->AddDecayChannel("Ionisation4",
new G4MolecularDissociationChannel(*decCh1));
*occ = *(water->GetGroundStateElectronOccupancy());
occ->RemoveElectron(2, 1);
water->NewConfigurationWithElectronOccupancy("Ionisation3", *occ);
water->AddDecayChannel("Ionisation3",
new G4MolecularDissociationChannel(*decCh1));
*occ = *(water->GetGroundStateElectronOccupancy());
occ->RemoveElectron(1, 1);
water->NewConfigurationWithElectronOccupancy("Ionisation2", *occ);
water->AddDecayChannel("Ionisation2",
new G4MolecularDissociationChannel(*decCh1));
*occ = *(water->GetGroundStateElectronOccupancy());
occ->RemoveElectron(0, 1);
water->NewConfigurationWithElectronOccupancy("Ionisation1", *occ);
water->AddDecayChannel("Ionisation1",
new G4MolecularDissociationChannel(*decCh1));
//////////////////////////////////////////////////////////
// Dissociative Attachment //
//////////////////////////////////////////////////////////
decCh1 = new G4MolecularDissociationChannel(
"DissociativeAttachment");
//Decay 1 : 2OH + H_2
decCh1->AddProduct(H2);
decCh1->AddProduct(OHm);
decCh1->AddProduct(OH);
decCh1->SetProbability(1);
decCh1->SetDisplacementType(
G4DNAWaterDissociationDisplacer::DissociativeAttachment);
*occ = *(water->GetGroundStateElectronOccupancy());
occ->AddElectron(5, 1); // H_2O^-
water->NewConfigurationWithElectronOccupancy(
"DissociativeAttachment", *occ);
water->AddDecayChannel(
"DissociativeAttachment", decCh1);
delete occ;
}
//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
void G4EmDNAChemistry_option2::ConstructReactionTable(
G4DNAMolecularReactionTable* theReactionTable)
{
//-----------------------------------
//Get the molecular configuration
G4MolecularConfiguration* OH =
G4MoleculeTable::Instance()->GetConfiguration("OH");
G4MolecularConfiguration* OHm =
G4MoleculeTable::Instance()->GetConfiguration("OHm");
G4MolecularConfiguration* e_aq =
G4MoleculeTable::Instance()->GetConfiguration("e_aq");
G4MolecularConfiguration* H2 =
G4MoleculeTable::Instance()->GetConfiguration("H2");
G4MolecularConfiguration* H3Op =
G4MoleculeTable::Instance()->GetConfiguration("H3Op");
G4MolecularConfiguration* H =
G4MoleculeTable::Instance()->GetConfiguration("H");
G4MolecularConfiguration* H2O2 =
G4MoleculeTable::Instance()->GetConfiguration("H2O2");
G4MolecularConfiguration* deoxyribose =
G4MoleculeTable::Instance()->GetConfiguration("Deoxyribose");
G4MolecularConfiguration* adenine =
G4MoleculeTable::Instance()->GetConfiguration("Adenine");
G4MolecularConfiguration* guanine =
G4MoleculeTable::Instance()->GetConfiguration("Guanine");
G4MolecularConfiguration* thymine =
G4MoleculeTable::Instance()->GetConfiguration("Thymine");
G4MolecularConfiguration* cytosine =
G4MoleculeTable::Instance()->GetConfiguration("Cytosine");
G4MolecularConfiguration* histone =
G4MoleculeTable::Instance()->GetConfiguration("Histone");
G4MolecularConfiguration* damage_deoxyribose =
G4MoleculeTable::Instance()->GetConfiguration("Damaged_Deoxyribose");
G4MolecularConfiguration* damage_adenine =
G4MoleculeTable::Instance()->GetConfiguration("Damaged_Adenine");
G4MolecularConfiguration* damage_guanine =
G4MoleculeTable::Instance()->GetConfiguration("Damaged_Guanine");
G4MolecularConfiguration* damage_thymine =
G4MoleculeTable::Instance()->GetConfiguration("Damaged_Thymine");
G4MolecularConfiguration* damage_cytosine =
G4MoleculeTable::Instance()->GetConfiguration("Damaged_Cytosine");
//------------------------------------------------------------------
// e_aq + e_aq + 2H2O -> H2 + 2OH-
G4DNAMolecularReactionData* reactionData =
new G4DNAMolecularReactionData(
0.5e10 * (1e-3 * m3 / (mole * s)), e_aq, e_aq);
reactionData->AddProduct(OHm);
reactionData->AddProduct(OHm);
reactionData->AddProduct(H2);
theReactionTable->SetReaction(reactionData);
//------------------------------------------------------------------
// e_aq + *OH -> OH-
reactionData = new G4DNAMolecularReactionData(
2.95e10 * (1e-3 * m3 / (mole * s)), e_aq, OH);
reactionData->AddProduct(OHm);
theReactionTable->SetReaction(reactionData);
//------------------------------------------------------------------
// e_aq + H* + H2O -> H2 + OH-
reactionData = new G4DNAMolecularReactionData(
2.65e10 * (1e-3 * m3 / (mole * s)), e_aq, H);
reactionData->AddProduct(OHm);
reactionData->AddProduct(H2);
theReactionTable->SetReaction(reactionData);
//------------------------------------------------------------------
// e_aq + H3O+ -> H* + H2O
reactionData = new G4DNAMolecularReactionData(
2.11e10 * (1e-3 * m3 / (mole * s)), e_aq, H3Op);
reactionData->AddProduct(H);
theReactionTable->SetReaction(reactionData);
//------------------------------------------------------------------
// e_aq + H2O2 -> OH- + *OH
reactionData = new G4DNAMolecularReactionData(
1.41e10 * (1e-3 * m3 / (mole * s)), e_aq, H2O2);
reactionData->AddProduct(OHm);
reactionData->AddProduct(OH);
theReactionTable->SetReaction(reactionData);
//------------------------------------------------------------------
// *OH + *OH -> H2O2
reactionData = new G4DNAMolecularReactionData(
0.44e10 * (1e-3 * m3 / (mole * s)), OH, OH);
reactionData->AddProduct(H2O2);
theReactionTable->SetReaction(reactionData);
//------------------------------------------------------------------
// *OH + *H -> H2O
theReactionTable->SetReaction(
1.44e10 * (1e-3 * m3 / (mole * s)), OH, H);
//------------------------------------------------------------------
// *H + *H -> H2
reactionData = new G4DNAMolecularReactionData(
1.20e10 * (1e-3 * m3 / (mole * s)), H, H);
reactionData->AddProduct(H2);
theReactionTable->SetReaction(reactionData);
//------------------------------------------------------------------
// H3O+ + OH- -> 2H2O
theReactionTable->SetReaction(
1.43e11 * (1e-3 * m3 / (mole * s)), H3Op, OHm);
//------------------------------------------------------------------
// DNA additions
// OH and DNA
// 2-Deoxyribose + OH -> damagedDeoxyribose
reactionData = new G4DNAMolecularReactionData(
1.80e9*(1e-3*m3/(mole*s)), deoxyribose, OH);
reactionData->AddProduct(damage_deoxyribose);
theReactionTable->SetReaction(reactionData);
// adenine + OH -> ...
reactionData = new G4DNAMolecularReactionData(
6.10e9*(1e-3*m3/(mole*s)), adenine, OH);
reactionData->AddProduct(damage_adenine);
theReactionTable->SetReaction(reactionData);
// guanine + OH -> ...
reactionData = new G4DNAMolecularReactionData(
9.20e9*(1e-3*m3/(mole*s)), guanine, OH);
reactionData->AddProduct(damage_guanine);
theReactionTable->SetReaction(reactionData);
// thymine + OH -> ...
reactionData = new G4DNAMolecularReactionData(
6.40e9*(1e-3*m3/(mole*s)), thymine, OH);
reactionData->AddProduct(damage_thymine);
theReactionTable->SetReaction(reactionData);
// cytosine + OH -> ...
reactionData = new G4DNAMolecularReactionData(
6.10e9*(1e-3*m3/(mole*s)), cytosine, OH);
reactionData->AddProduct(damage_cytosine);
theReactionTable->SetReaction(reactionData);
// Hydrated e- and DNA
// Deoxyribose + Hydrated e- -> ...
reactionData = new G4DNAMolecularReactionData(
0.01e9*(1e-3*m3/(mole*s)), deoxyribose, e_aq);
reactionData->AddProduct(damage_deoxyribose);
theReactionTable->SetReaction(reactionData);
// adenine + Hydrated e- -> ...
reactionData = new G4DNAMolecularReactionData(
9e9*(1e-3*m3/(mole*s)), adenine, e_aq);
reactionData->AddProduct(damage_adenine);
theReactionTable->SetReaction(reactionData);
// guanine + Hydrated e- -> ...
reactionData = new G4DNAMolecularReactionData(
14e9*(1e-3*m3/(mole*s)), guanine, e_aq);
reactionData->AddProduct(damage_guanine);
theReactionTable->SetReaction(reactionData);
// thymine + Hydrated e- -> ...
reactionData = new G4DNAMolecularReactionData(
18e9*(1e-3*m3/(mole*s)), thymine, e_aq);
reactionData->AddProduct(damage_thymine);
theReactionTable->SetReaction(reactionData);
// cytosine + Hydrated e- -> ...
reactionData = new G4DNAMolecularReactionData(
13e9*(1e-3*m3/(mole*s)), cytosine, e_aq);
reactionData->AddProduct(damage_cytosine);
theReactionTable->SetReaction(reactionData);
// Radical H and DNA
// Deoxyribose + Radical H -> ...
reactionData = new G4DNAMolecularReactionData(
0.029e9*(1e-3*m3/(mole*s)), deoxyribose, H);
reactionData->AddProduct(damage_deoxyribose);
//eactionData->SetEffectiveReactionRadius(0);
theReactionTable->SetReaction(reactionData);
// adenine + Radical H -> ...
reactionData = new G4DNAMolecularReactionData(
0.10e9*(1e-3*m3/(mole*s)), adenine, H);
reactionData->AddProduct(damage_adenine);
theReactionTable->SetReaction(reactionData);
// thymine + Radical H -> ...
reactionData = new G4DNAMolecularReactionData(
0.57e9*(1e-3*m3/(mole*s)), thymine, H);
reactionData->AddProduct(damage_thymine);
theReactionTable->SetReaction(reactionData);
// cytosine + Radical H -> ...
reactionData = new G4DNAMolecularReactionData(
0.092e9*(1e-3*m3/(mole*s)), cytosine, H);
reactionData->AddProduct(damage_cytosine);
theReactionTable->SetReaction(reactionData);
//histone + all molecules -> modification(or "damage")
reactionData = new G4DNAMolecularReactionData(
0.0*(1e-3*m3/(mole*s)), histone, OH);
reactionData->AddProduct(histone);
reactionData->SetEffectiveReactionRadius(
2.4*nm + G4OH::Definition()->GetVanDerVaalsRadius());
theReactionTable->SetReaction(reactionData);
reactionData = new G4DNAMolecularReactionData(
0.0*(1e-3*m3/(mole*s)), histone, OHm);
reactionData->AddProduct(histone);
reactionData->SetEffectiveReactionRadius(
2.4*nm + G4OH::Definition()->GetVanDerVaalsRadius());
theReactionTable->SetReaction(reactionData);
reactionData = new G4DNAMolecularReactionData(
0.0*(1e-3*m3/(mole*s)), histone, e_aq);
reactionData->AddProduct(histone);
reactionData->SetEffectiveReactionRadius(
2.4*nm + G4Electron_aq::Definition()->GetVanDerVaalsRadius());
theReactionTable->SetReaction(reactionData);
reactionData = new G4DNAMolecularReactionData(
0.0*(1e-3*m3/(mole*s)), histone, H2);
reactionData->AddProduct(histone);
reactionData->SetEffectiveReactionRadius(
2.4*nm + G4H2::Definition()->GetVanDerVaalsRadius());
theReactionTable->SetReaction(reactionData);
reactionData = new G4DNAMolecularReactionData(
0.0*(1e-3*m3/(mole*s)), histone, H3Op);
reactionData->AddProduct(histone);
reactionData->SetEffectiveReactionRadius(
2.4*nm + G4H3O::Definition()->GetVanDerVaalsRadius());
theReactionTable->SetReaction(reactionData);
reactionData = new G4DNAMolecularReactionData(
0.0*(1e-3*m3/(mole*s)), histone, H);
reactionData->AddProduct(histone);
reactionData->SetEffectiveReactionRadius(
2.4*nm + G4Hydrogen::Definition()->GetVanDerVaalsRadius());
theReactionTable->SetReaction(reactionData);
reactionData = new G4DNAMolecularReactionData(
0.0*(1e-3*m3/(mole*s)), histone, H2O2);
reactionData->AddProduct(histone);
reactionData->SetEffectiveReactionRadius(
2.4*nm + G4H2O2::Definition()->GetVanDerVaalsRadius());
theReactionTable->SetReaction(reactionData);
}
//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
void G4EmDNAChemistry_option2::ConstructProcess()
{
auto pPhysicsListHelper =
G4PhysicsListHelper::GetPhysicsListHelper();
G4VProcess* pProcess =
G4ProcessTable::GetProcessTable()->
FindProcess("e-_G4DNAVibExcitation", "e-");
if (pProcess != nullptr)
{
G4DNAVibExcitation* pVibExcitation =
(G4DNAVibExcitation*) pProcess;
G4VEmModel* pModel = pVibExcitation->EmModel();
G4DNASancheExcitationModel* pSancheExcitationMod =
dynamic_cast<G4DNASancheExcitationModel*>(pModel);
if(pSancheExcitationMod != nullptr)
{
pSancheExcitationMod->ExtendLowEnergyLimit(0.025 * eV);
}
}
//===============================================================
// Electron Solvatation
//
pProcess = G4ProcessTable::GetProcessTable()->
FindProcess("e-_G4DNAElectronSolvation", "e-");
if (pProcess == nullptr)
{
pPhysicsListHelper->
RegisterProcess(new G4DNAElectronSolvation(
"e-_G4DNAElectronSolvation"), G4Electron::Definition());
}
//===============================================================
// Define processes for molecules
//
G4MoleculeTable* pMoleculeTable =
G4MoleculeTable::Instance();
G4MoleculeDefinitionIterator iterator =
pMoleculeTable->GetDefintionIterator();
iterator.reset();
while (iterator())
{
G4MoleculeDefinition* pMoleculeDef = iterator.value();
if(pMoleculeDef != G4H2O::Definition())
{
G4DNABrownianTransportation* pBrownianTransport =
new G4DNABrownianTransportation();
pPhysicsListHelper->
RegisterProcess(pBrownianTransport, pMoleculeDef);
}
else
{
pMoleculeDef->GetProcessManager()->
AddRestProcess(new G4DNAElectronHoleRecombination(), 2);
G4DNAMolecularDissociation* pDissociationProcess =
new G4DNAMolecularDissociation("H2O_DNAMolecularDecay");
pDissociationProcess->SetDisplacer(pMoleculeDef,
new G4DNAWaterDissociationDisplacer);
pDissociationProcess->SetVerboseLevel(1);
pMoleculeDef->GetProcessManager()->
AddRestProcess(pDissociationProcess, 1);
}
}
G4DNAChemistryManager::Instance()->Initialize();
}
//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
void G4EmDNAChemistry_option2::ConstructTimeStepModel(
G4DNAMolecularReactionTable* reactionTable)
{
G4VDNAReactionModel* reactionRadiusComputer =
new G4DNASmoluchowskiReactionModel();
reactionTable->PrintTable(reactionRadiusComputer);
G4DNAMolecularStepByStepModel* stepByStep =
new G4DNAMolecularStepByStepModel();
stepByStep->SetReactionModel(reactionRadiusComputer);
RegisterTimeStepModel(stepByStep, 0);
}
source/physics_lists/constructors/electromagnetic/src/G4EmDNAPhysics.cc
+1
View File
@@ -94,6 +94,7 @@ G4EmDNAPhysics::G4EmDNAPhysics(G4int ver, const G4String&)
param->SetAuger(true);
param->SetAugerCascade(true);
param->SetDeexcitationIgnoreCut(true);
param->ActivateDNA();
SetPhysicsType(bElectromagnetic);
}
source/physics_lists/constructors/electromagnetic/src/G4EmDNAPhysicsActivator.cc
+1
View File
@@ -97,6 +97,7 @@ G4EmDNAPhysicsActivator::G4EmDNAPhysicsActivator(G4int ver)
: G4VPhysicsConstructor("G4EmDNAPhysicsActivator"), verbose(ver)
{
theParameters = G4EmParameters::Instance();
theParameters->ActivateDNA();
}
//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
source/physics_lists/constructors/electromagnetic/src/G4EmDNAPhysics_option1.cc
+12 -1
View File
@@ -95,6 +95,7 @@ G4EmDNAPhysics_option1::G4EmDNAPhysics_option1(G4int ver, const G4String&)
param->SetAuger(true);
param->SetAugerCascade(true);
param->SetDeexcitationIgnoreCut(true);
param->ActivateDNA();
SetPhysicsType(bElectromagnetic);
}
@@ -153,7 +154,17 @@ void G4EmDNAPhysics_option1::ConstructProcess()
ph->RegisterProcess(new G4DNAElectronSolvation("e-_G4DNAElectronSolvation"),
particle);
/*
// THESE LINES MUST BE TESTED:
G4DNAElectronSolvation* solvation =
new G4DNAElectronSolvation("e-_G4DNAElectronSolvation");
auto therm = G4DNASolvationModelFactory::GetMacroDefinedModel();
therm->SetHighEnergyLimit(7.4*eV); // limit of the Champion's model
solvation->SetEmModel(therm);
ph->RegisterProcess(solvation, particle);
*/
// *** Elastic scattering (two alternative models available) ***
//G4DNAElastic* theDNAElasticProcess = new G4DNAElastic("e-_G4DNAElastic");
source/physics_lists/constructors/electromagnetic/src/G4EmDNAPhysics_option2.cc
+3 -2
View File
@@ -95,6 +95,7 @@ G4EmDNAPhysics_option2::G4EmDNAPhysics_option2(G4int ver, const G4String&)
param->SetAuger(true);
param->SetAugerCascade(true);
param->SetDeexcitationIgnoreCut(true);
param->ActivateDNA();
SetPhysicsType(bElectromagnetic);
}
@@ -149,8 +150,8 @@ void G4EmDNAPhysics_option2::ConstructProcess()
G4DNAElectronSolvation* solvation =
new G4DNAElectronSolvation("e-_G4DNAElectronSolvation");
G4DNAOneStepThermalizationModel* therm =
new G4DNAOneStepThermalizationModel();
auto therm = G4DNASolvationModelFactory::GetMacroDefinedModel();
therm->SetHighEnergyLimit(7.4*eV); // limit of the Champion's model
solvation->SetEmModel(therm);
ph->RegisterProcess(solvation, particle);
source/physics_lists/constructors/electromagnetic/src/G4EmDNAPhysics_option3.cc
+2 -2
View File
@@ -94,6 +94,7 @@ G4EmDNAPhysics_option3::G4EmDNAPhysics_option3(G4int ver, const G4String&)
param->SetAuger(true);
param->SetAugerCascade(true);
param->SetDeexcitationIgnoreCut(true);
param->ActivateDNA();
SetPhysicsType(bElectromagnetic);
}
@@ -148,8 +149,7 @@ void G4EmDNAPhysics_option3::ConstructProcess()
G4DNAElectronSolvation* solvation =
new G4DNAElectronSolvation("e-_G4DNAElectronSolvation");
G4DNAOneStepThermalizationModel* therm =
new G4DNAOneStepThermalizationModel();
auto therm = G4DNASolvationModelFactory::GetMacroDefinedModel();
therm->SetHighEnergyLimit(7.4*eV); // limit of the Champion's model
solvation->SetEmModel(therm);
ph->RegisterProcess(solvation, particle);
source/physics_lists/constructors/electromagnetic/src/G4EmDNAPhysics_option4.cc
+5 -4
View File
@@ -100,6 +100,7 @@ G4EmDNAPhysics_option4::G4EmDNAPhysics_option4(G4int ver, const G4String&)
param->SetAuger(true);
param->SetAugerCascade(true);
param->SetDeexcitationIgnoreCut(true);
param->ActivateDNA();
SetPhysicsType(bElectromagnetic);
}
@@ -155,13 +156,13 @@ void G4EmDNAPhysics_option4::ConstructProcess()
// *** Solvation ***
G4DNAElectronSolvation* solvation =
new G4DNAElectronSolvation("e-_G4DNAElectronSolvation");
G4DNAOneStepThermalizationModel* therm =
new G4DNAOneStepThermalizationModel();
new G4DNAElectronSolvation("e-_G4DNAElectronSolvation");
auto therm = G4DNASolvationModelFactory::GetMacroDefinedModel();
therm->SetHighEnergyLimit(10.*eV); // limit of the Uehara's model
solvation->SetEmModel(therm);
ph->RegisterProcess(solvation, particle);
// *** Elastic scattering (two alternative models available) ***
G4DNAElastic* theDNAElasticProcess = new G4DNAElastic("e-_G4DNAElastic");
source/physics_lists/constructors/electromagnetic/src/G4EmDNAPhysics_option5.cc
+2 -2
View File
@@ -100,6 +100,7 @@ G4EmDNAPhysics_option5::G4EmDNAPhysics_option5(G4int ver, const G4String&) :
param->SetAuger(true);
param->SetAugerCascade(true);
param->SetDeexcitationIgnoreCut(true);
param->ActivateDNA();
SetPhysicsType(bElectromagnetic);
}
@@ -158,8 +159,7 @@ void G4EmDNAPhysics_option5::ConstructProcess()
G4DNAElectronSolvation* solvation =
new G4DNAElectronSolvation("e-_G4DNAElectronSolvation");
G4DNAOneStepThermalizationModel* therm =
new G4DNAOneStepThermalizationModel();
auto therm = G4DNASolvationModelFactory::GetMacroDefinedModel();
therm->SetHighEnergyLimit(10.*eV); // limit of the Uehara's model
solvation->SetEmModel(therm);
ph->RegisterProcess(solvation, particle);
source/physics_lists/constructors/electromagnetic/src/G4EmDNAPhysics_option6.cc
+6 -5
View File
@@ -112,6 +112,7 @@ G4EmDNAPhysics_option6::G4EmDNAPhysics_option6(G4int ver, const G4String&)
param->SetAuger(true);
param->SetAugerCascade(true);
param->SetDeexcitationIgnoreCut(true);
param->ActivateDNA();
SetPhysicsType(bElectromagnetic);
}
@@ -165,14 +166,14 @@ void G4EmDNAPhysics_option6::ConstructProcess()
if (particleName == "e-") {
// *** Solvation ***
G4DNAElectronSolvation* solvation =
new G4DNAElectronSolvation("e-_G4DNAElectronSolvation");
G4DNAOneStepThermalizationModel* therm =
new G4DNAOneStepThermalizationModel();
G4DNAElectronSolvation* solvation =
new G4DNAElectronSolvation("e-_G4DNAElectronSolvation");
auto therm = G4DNASolvationModelFactory::GetMacroDefinedModel();
therm->SetHighEnergyLimit(11.*eV); // limit of the CPA100 elastic model
solvation->SetEmModel(therm);
ph->RegisterProcess(solvation, particle);
// *** Elastic scattering (two alternative models available) ***
G4DNAElastic* theDNAElasticProcess = new G4DNAElastic("e-_G4DNAElastic");
theDNAElasticProcess->SetEmModel(new G4DNACPA100ElasticModel());
source/physics_lists/constructors/electromagnetic/src/G4EmDNAPhysics_option7.cc
+2 -2
View File
@@ -100,6 +100,7 @@ G4EmDNAPhysics_option7::G4EmDNAPhysics_option7(G4int ver, const G4String&) :
param->SetAuger(true);
param->SetAugerCascade(true);
param->SetDeexcitationIgnoreCut(true);
param->ActivateDNA();
SetPhysicsType(bElectromagnetic);
}
@@ -161,8 +162,7 @@ void G4EmDNAPhysics_option7::ConstructProcess()
G4DNAElectronSolvation* solvation =
new G4DNAElectronSolvation("e-_G4DNAElectronSolvation");
G4DNAOneStepThermalizationModel* therm =
new G4DNAOneStepThermalizationModel();
auto therm = G4DNASolvationModelFactory::GetMacroDefinedModel();
therm->SetHighEnergyLimit(10.*eV); // limit of the Uehara's model
solvation->SetEmModel(therm);
ph->RegisterProcess(solvation, particle);
source/physics_lists/constructors/electromagnetic/src/G4EmDNAPhysics_option8.cc
+4 -4
View File
@@ -96,6 +96,7 @@ G4EmDNAPhysics_option8::G4EmDNAPhysics_option8(G4int ver, const G4String&)
param->SetAuger(true);
param->SetAugerCascade(true);
param->SetDeexcitationIgnoreCut(true);
param->ActivateDNA();
SetPhysicsType(bElectromagnetic);
}
@@ -152,8 +153,7 @@ void G4EmDNAPhysics_option8::ConstructProcess()
G4DNAElectronSolvation* solvation =
new G4DNAElectronSolvation("e-_G4DNAElectronSolvation");
G4DNAOneStepThermalizationModel* therm =
new G4DNAOneStepThermalizationModel();
auto therm = G4DNASolvationModelFactory::GetMacroDefinedModel();
therm->SetHighEnergyLimit(11.*eV); // limit of the CPA100 model
solvation->SetEmModel(therm);
ph->RegisterProcess(solvation, particle);
@@ -181,10 +181,10 @@ void G4EmDNAPhysics_option8::ConstructProcess()
ph->RegisterProcess(new G4DNAIonisation("e-_G4DNAIonisation"), particle);
// *** Vibrational excitation ***
//ph->RegisterProcess(new G4DNAVibExcitation("e-_G4DNAVibExcitation"), particle);
ph->RegisterProcess(new G4DNAVibExcitation("e-_G4DNAVibExcitation"), particle);
// *** Attachment ***
//ph->RegisterProcess(new G4DNAAttachment("e-_G4DNAAttachment"), particle);
ph->RegisterProcess(new G4DNAAttachment("e-_G4DNAAttachment"), particle);
} else if ( particleName == "proton" ) {
ph->RegisterProcess(new G4DNAElastic("proton_G4DNAElastic"), particle);
source/physics_lists/constructors/electromagnetic/src/G4EmDNAPhysics_stationary.cc
+1
View File
@@ -92,6 +92,7 @@ G4EmDNAPhysics_stationary::G4EmDNAPhysics_stationary(G4int ver)
param->SetAuger(true);
param->SetAugerCascade(true);
param->SetDeexcitationIgnoreCut(true);
param->ActivateDNA();
SetPhysicsType(bElectromagnetic);
}
source/physics_lists/constructors/electromagnetic/src/G4EmDNAPhysics_stationary_option2.cc
+1
View File
@@ -92,6 +92,7 @@ G4EmDNAPhysics_stationary_option2::G4EmDNAPhysics_stationary_option2(G4int ver)
param->SetAuger(true);
param->SetAugerCascade(true);
param->SetDeexcitationIgnoreCut(true);
param->ActivateDNA();
SetPhysicsType(bElectromagnetic);
}
source/physics_lists/constructors/electromagnetic/src/G4EmDNAPhysics_stationary_option4.cc
+1
View File
@@ -94,6 +94,7 @@ G4EmDNAPhysics_stationary_option4::G4EmDNAPhysics_stationary_option4(G4int ver)
param->SetAuger(true);
param->SetAugerCascade(true);
param->SetDeexcitationIgnoreCut(true);
param->ActivateDNA();
SetPhysicsType(bElectromagnetic);
}
source/physics_lists/constructors/electromagnetic/src/G4EmDNAPhysics_stationary_option6.cc
+1
View File
@@ -95,6 +95,7 @@ G4EmDNAPhysics_stationary_option6::G4EmDNAPhysics_stationary_option6(G4int ver)
param->SetAuger(true);
param->SetAugerCascade(true);
param->SetDeexcitationIgnoreCut(true);
param->ActivateDNA();
SetPhysicsType(bElectromagnetic);
}
source/physics_lists/constructors/electromagnetic/src/G4EmLivermorePhysics.cc
+3 -2
View File
@@ -148,9 +148,8 @@ G4EmLivermorePhysics::G4EmLivermorePhysics(G4int ver, const G4String&)
param->SetMscSkin(3);
param->SetMscRangeFactor(0.08);
param->SetMuHadLateralDisplacement(true);
//param->SetUseICRU90Data(true);
param->SetFluo(true);
// param->SetAugerCascade(true);
param->SetMaxNIELEnergy(1*MeV);
SetPhysicsType(bElectromagnetic);
}
@@ -231,7 +230,9 @@ void G4EmLivermorePhysics::ConstructProcess()
G4double livEnergyLimit = 1*GeV;
// nuclear stopping
G4double nielEnergyLimit = G4EmParameters::Instance()->MaxNIELEnergy();
G4NuclearStopping* pnuc = new G4NuclearStopping();
pnuc->SetMaxKinEnergy(nielEnergyLimit);
// Add Livermore EM Processes
G4ParticleTable* table = G4ParticleTable::GetParticleTable();
source/physics_lists/constructors/electromagnetic/src/G4EmModelActivator.cc
Executable → Regular
View File
source/physics_lists/constructors/electromagnetic/src/G4EmPenelopePhysics.cc
+3 -1
View File
@@ -151,7 +151,7 @@ G4EmPenelopePhysics::G4EmPenelopePhysics(G4int ver, const G4String&)
param->SetMscRangeFactor(0.08);
param->SetMuHadLateralDisplacement(true);
param->SetFluo(true);
//param->SetAugerCascade(true);
param->SetMaxNIELEnergy(1*MeV);
param->SetPIXEElectronCrossSectionModel("Penelope");
SetPhysicsType(bElectromagnetic);
}
@@ -232,7 +232,9 @@ void G4EmPenelopePhysics::ConstructProcess()
G4double highEnergyLimit = G4EmParameters::Instance()->MscEnergyLimit();
// nuclear stopping
G4double nielEnergyLimit = G4EmParameters::Instance()->MaxNIELEnergy();
G4NuclearStopping* pnuc = new G4NuclearStopping();
pnuc->SetMaxKinEnergy(nielEnergyLimit);
//Applicability range for Penelope models
//for higher energies, the Standard models are used
source/physics_lists/constructors/electromagnetic/src/G4EmStandardPhysics_option1.cc
+1 -1
View File
@@ -112,7 +112,7 @@ G4EmStandardPhysics_option1::G4EmStandardPhysics_option1(G4int ver,
param->SetDefaults();
param->SetVerbose(verbose);
param->SetApplyCuts(true);
//param->SetGeneralProcessActive(true);
param->SetGeneralProcessActive(true);
param->SetMscRangeFactor(0.2);
param->SetMscStepLimitType(fMinimal);
SetPhysicsType(bElectromagnetic);
source/physics_lists/constructors/electromagnetic/src/G4EmStandardPhysics_option3.cc
+3 -1
View File
@@ -134,6 +134,7 @@ G4EmStandardPhysics_option3::G4EmStandardPhysics_option3(G4int ver,
param->SetLateralDisplacementAlg96(true);
//param->SetUseICRU90Data(true);
param->SetFluo(true);
param->SetMaxNIELEnergy(1*MeV);
SetPhysicsType(bElectromagnetic);
}
@@ -196,8 +197,9 @@ void G4EmStandardPhysics_option3::ConstructProcess()
G4hMultipleScattering* hmsc = new G4hMultipleScattering("ionmsc");
// nuclear stopping
G4double nielEnergyLimit = G4EmParameters::Instance()->MaxNIELEnergy();
G4NuclearStopping* pnuc = new G4NuclearStopping();
pnuc->SetMaxKinEnergy(MeV);
pnuc->SetMaxKinEnergy(nielEnergyLimit);
// Add standard EM Processes
G4ParticleTable* table = G4ParticleTable::GetParticleTable();
source/physics_lists/constructors/electromagnetic/src/G4EmStandardPhysics_option4.cc
+3 -2
View File
@@ -145,7 +145,7 @@ G4EmStandardPhysics_option4::G4EmStandardPhysics_option4(G4int ver,
param->SetMscRangeFactor(0.08); // error-free stepping for e-/e+ msc gs
param->SetMuHadLateralDisplacement(true);
param->SetFluo(true);
//param->SetAugerCascade(true);
param->SetMaxNIELEnergy(1*MeV);
SetPhysicsType(bElectromagnetic);
}
@@ -223,10 +223,11 @@ void G4EmStandardPhysics_option4::ConstructProcess()
// energy limits for e+- scattering models
G4double highEnergyLimit = G4EmParameters::Instance()->MscEnergyLimit();
G4double nielEnergyLimit = G4EmParameters::Instance()->MaxNIELEnergy();
// nuclear stopping
G4NuclearStopping* pnuc = new G4NuclearStopping();
pnuc->SetMaxKinEnergy(MeV);
pnuc->SetMaxKinEnergy(nielEnergyLimit);
// Add standard EM Processes
G4ParticleTable* table = G4ParticleTable::GetParticleTable();
source/physics_lists/constructors/electromagnetic/src/G4GammaGeneralProcess.cc
+20 -21
View File
@@ -86,8 +86,8 @@ G4GammaGeneralProcess::G4GammaGeneralProcess():
minEEEnergy(2*CLHEP::electron_mass_c2),
minMMEnergy(100*CLHEP::MeV),
peLambda(0.0),
nLowE(100),
nHighE(100),
nLowE(40),
nHighE(50),
splineFlag(false)
{
thePhotoElectric = theCompton = theConversionEE = theRayleigh = nullptr;
@@ -209,8 +209,8 @@ void G4GammaGeneralProcess::InitialiseProcess(const G4ParticleDefinition*)
G4PhysicsVector* vec = nullptr;
G4PhysicsLogVector aVector(mine,minPEEnergy,nbin1);
G4PhysicsLinearVector bVector(minPEEnergy,minEEEnergy,nLowE);
G4PhysicsLinearVector cVector(minEEEnergy,minMMEnergy,nHighE);
G4PhysicsLogVector bVector(minPEEnergy,minEEEnergy,nLowE);
G4PhysicsLogVector cVector(minEEEnergy,minMMEnergy,nHighE);
G4PhysicsLogVector dVector(minMMEnergy,maxe,nbin2);
if(splineFlag) {
aVector.SetSpline(splineFlag);
@@ -474,14 +474,16 @@ G4double G4GammaGeneralProcess::PostStepGetPhysicalInteractionLength(
G4double x = DBL_MAX;
G4double energy = track.GetKineticEnergy();
const G4MaterialCutsCouple* couple = track.GetMaterialCutsCouple();
const G4Material* mat = couple->GetMaterial();
currentCouple = track.GetMaterialCutsCouple();
const G4Material* mat = currentCouple->GetMaterial();
// compute mean free path
if(mat != currentMaterial || energy != preStepKinEnergy) {
currentCoupleIndex = currentCouple->GetIndex();
currentMaterial = mat;
preStepKinEnergy = energy;
preStepLambda = TotalCrossSectionPerVolume(energy, couple);
preStepLogE = track.GetDynamicParticle()->GetLogKineticEnergy();
preStepLambda = TotalCrossSectionPerVolume();
// zero cross section
if(preStepLambda <= 0.0) {
@@ -521,26 +523,23 @@ G4double G4GammaGeneralProcess::PostStepGetPhysicalInteractionLength(
//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo....
G4double G4GammaGeneralProcess::TotalCrossSectionPerVolume(G4double energy,
const G4MaterialCutsCouple* couple)
G4double G4GammaGeneralProcess::TotalCrossSectionPerVolume()
{
currentCouple = couple;
currentCoupleIndex = couple->GetIndex();
G4double cross = 0.0;
if(energy < minPEEnergy) {
cross = ComputeGeneralLambda(0, 0, idx0, energy);
peLambda = (thePhotoElectric)
? thePhotoElectric->GetLambda(energy, couple) : 0.0;
if(preStepKinEnergy < minPEEnergy) {
cross = ComputeGeneralLambda(0, 0, idx0);
peLambda = (thePhotoElectric) ? thePhotoElectric
->GetLambda(preStepKinEnergy, currentCouple, preStepLogE) : 0.0;
cross += peLambda;
} else if(energy < minEEEnergy) {
cross = ComputeGeneralLambda(1, 2, idx1, energy);
} else if(preStepKinEnergy < minEEEnergy) {
cross = ComputeGeneralLambda(1, 2, idx1);
} else if(energy < minMMEnergy) {
cross = ComputeGeneralLambda(2, 6, idx2, energy);
} else if(preStepKinEnergy < minMMEnergy) {
cross = ComputeGeneralLambda(2, 6, idx2);
} else {
cross = ComputeGeneralLambda(3, 10, idx3, energy);
cross = ComputeGeneralLambda(3, 10, idx3);
}
/*
G4cout << "xs= " << cross << " idxE= " << idxEnergy
@@ -553,7 +552,7 @@ G4double G4GammaGeneralProcess::TotalCrossSectionPerVolume(G4double energy,
//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo....
G4VParticleChange* G4GammaGeneralProcess::PostStepDoIt(const G4Track& track,
const G4Step& step)
const G4Step& step)
{
// In all cases clear number of interaction lengths
theNumberOfInteractionLengthLeft = -1.0;