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>> 26 // $Id: G4PenelopeComptonModel.cc 75180 2013-10-29 10:11:24Z gcosmo $
26 // 27 //
27 // Author: Luciano Pandola 28 // Author: Luciano Pandola
28 // 29 //
29 // History: 30 // History:
30 // -------- 31 // --------
31 // 15 Feb 2010 L Pandola Implementation 32 // 15 Feb 2010 L Pandola Implementation
32 // 18 Mar 2010 L Pandola Removed GetAtomsPe << 33 // 18 Mar 2010 L Pandola Removed GetAtomsPerMolecule(), now demanded
33 // to G4PenelopeOsc 34 // to G4PenelopeOscillatorManager
34 // 01 Feb 2011 L Pandola Suppress fake ener << 35 // 01 Feb 2011 L Pandola Suppress fake energy-violation warning when Auger is active.
35 // active. << 36 // Make sure that fluorescence/Auger is generated only if
36 // Make sure that flu << 37 // above threshold
37 // if above thresho <<
38 // 24 May 2011 L Pandola Renamed (make v200 38 // 24 May 2011 L Pandola Renamed (make v2008 as default Penelope)
39 // 10 Jun 2011 L Pandola Migrate atomic dee 39 // 10 Jun 2011 L Pandola Migrate atomic deexcitation interface
40 // 09 Oct 2013 L Pandola Migration to MT 40 // 09 Oct 2013 L Pandola Migration to MT
41 // 25 Jul 2023 D Iuso Fix for possible i <<
42 // 41 //
43 #include "G4PenelopeComptonModel.hh" 42 #include "G4PenelopeComptonModel.hh"
44 #include "G4PhysicalConstants.hh" 43 #include "G4PhysicalConstants.hh"
45 #include "G4SystemOfUnits.hh" 44 #include "G4SystemOfUnits.hh"
46 #include "G4ParticleDefinition.hh" 45 #include "G4ParticleDefinition.hh"
47 #include "G4MaterialCutsCouple.hh" 46 #include "G4MaterialCutsCouple.hh"
48 #include "G4DynamicParticle.hh" 47 #include "G4DynamicParticle.hh"
49 #include "G4VEMDataSet.hh" 48 #include "G4VEMDataSet.hh"
50 #include "G4PhysicsTable.hh" 49 #include "G4PhysicsTable.hh"
51 #include "G4PhysicsLogVector.hh" 50 #include "G4PhysicsLogVector.hh"
52 #include "G4AtomicTransitionManager.hh" 51 #include "G4AtomicTransitionManager.hh"
53 #include "G4AtomicShell.hh" 52 #include "G4AtomicShell.hh"
54 #include "G4Gamma.hh" 53 #include "G4Gamma.hh"
55 #include "G4Electron.hh" 54 #include "G4Electron.hh"
56 #include "G4PenelopeOscillatorManager.hh" 55 #include "G4PenelopeOscillatorManager.hh"
57 #include "G4PenelopeOscillator.hh" 56 #include "G4PenelopeOscillator.hh"
58 #include "G4LossTableManager.hh" 57 #include "G4LossTableManager.hh"
59 #include "G4Exp.hh" <<
60 58
61 //....oooOO0OOooo........oooOO0OOooo........oo 59 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo....
62 60
>> 61
63 G4PenelopeComptonModel::G4PenelopeComptonModel 62 G4PenelopeComptonModel::G4PenelopeComptonModel(const G4ParticleDefinition* part,
64 const G4String& nam) 63 const G4String& nam)
65 :G4VEmModel(nam),fParticleChange(nullptr),fP << 64 :G4VEmModel(nam),fParticleChange(0),fParticle(0),
66 fAtomDeexcitation(nullptr), << 65 isInitialised(false),fAtomDeexcitation(0),
67 fOscManager(nullptr),fIsInitialised(false) << 66 oscManager(0)
68 { 67 {
69 fIntrinsicLowEnergyLimit = 100.0*eV; 68 fIntrinsicLowEnergyLimit = 100.0*eV;
70 fIntrinsicHighEnergyLimit = 100.0*GeV; 69 fIntrinsicHighEnergyLimit = 100.0*GeV;
>> 70 // SetLowEnergyLimit(fIntrinsicLowEnergyLimit);
71 SetHighEnergyLimit(fIntrinsicHighEnergyLimit 71 SetHighEnergyLimit(fIntrinsicHighEnergyLimit);
72 // 72 //
73 fOscManager = G4PenelopeOscillatorManager::G << 73 oscManager = G4PenelopeOscillatorManager::GetOscillatorManager();
74 74
75 if (part) 75 if (part)
76 SetParticle(part); 76 SetParticle(part);
77 << 77
78 fVerboseLevel= 0; << 78 verboseLevel= 0;
79 // Verbosity scale: 79 // Verbosity scale:
80 // 0 = nothing << 80 // 0 = nothing
81 // 1 = warning for energy non-conservation << 81 // 1 = warning for energy non-conservation
82 // 2 = details of energy budget 82 // 2 = details of energy budget
83 // 3 = calculation of cross sections, file o 83 // 3 = calculation of cross sections, file openings, sampling of atoms
84 // 4 = entering in methods 84 // 4 = entering in methods
85 85
86 //Mark this model as "applicable" for atomic 86 //Mark this model as "applicable" for atomic deexcitation
87 SetDeexcitationFlag(true); 87 SetDeexcitationFlag(true);
88 88
89 fTransitionManager = G4AtomicTransitionManag 89 fTransitionManager = G4AtomicTransitionManager::Instance();
90 } 90 }
91 91
92 //....oooOO0OOooo........oooOO0OOooo........oo 92 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo....
93 93
94 G4PenelopeComptonModel::~G4PenelopeComptonMode 94 G4PenelopeComptonModel::~G4PenelopeComptonModel()
95 {;} 95 {;}
96 96
97 //....oooOO0OOooo........oooOO0OOooo........oo 97 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo....
98 98
99 void G4PenelopeComptonModel::Initialise(const 99 void G4PenelopeComptonModel::Initialise(const G4ParticleDefinition* part,
100 const G4DataVector&) 100 const G4DataVector&)
101 { 101 {
102 if (fVerboseLevel > 3) << 102 if (verboseLevel > 3)
103 G4cout << "Calling G4PenelopeComptonModel: 103 G4cout << "Calling G4PenelopeComptonModel::Initialise()" << G4endl;
104 104
105 fAtomDeexcitation = G4LossTableManager::Inst 105 fAtomDeexcitation = G4LossTableManager::Instance()->AtomDeexcitation();
106 //Issue warning if the AtomicDeexcitation ha 106 //Issue warning if the AtomicDeexcitation has not been declared
107 if (!fAtomDeexcitation) 107 if (!fAtomDeexcitation)
108 { 108 {
109 G4cout << G4endl; 109 G4cout << G4endl;
110 G4cout << "WARNING from G4PenelopeCompto 110 G4cout << "WARNING from G4PenelopeComptonModel " << G4endl;
111 G4cout << "Atomic de-excitation module i 111 G4cout << "Atomic de-excitation module is not instantiated, so there will not be ";
112 G4cout << "any fluorescence/Auger emissi 112 G4cout << "any fluorescence/Auger emission." << G4endl;
113 G4cout << "Please make sure this is inte 113 G4cout << "Please make sure this is intended" << G4endl;
114 } 114 }
115 115
116 SetParticle(part); 116 SetParticle(part);
117 117
118 if (IsMaster() && part == fParticle) << 118 if (IsMaster() && part == fParticle)
119 { 119 {
120 120
121 if (fVerboseLevel > 0) << 121 if (verboseLevel > 0)
122 { 122 {
123 G4cout << "Penelope Compton model v2008 is 123 G4cout << "Penelope Compton model v2008 is initialized " << G4endl
124 << "Energy range: " 124 << "Energy range: "
125 << LowEnergyLimit() / keV << " keV - " 125 << LowEnergyLimit() / keV << " keV - "
126 << HighEnergyLimit() / GeV << " GeV"; << 126 << HighEnergyLimit() / GeV << " GeV";
127 } <<
128 //Issue a warning, if the model is going <<
129 //energy which is outside the validity o <<
130 if (LowEnergyLimit() < fIntrinsicLowEner <<
131 { <<
132 G4ExceptionDescription ed; <<
133 ed << "Using the Penelope Compton model ou <<
134 << G4endl; <<
135 ed << "-> LowEnergyLimit() in process = " <<
136 ed << "-> Instrinsic low-energy limit = " <<
137 << G4endl; <<
138 ed << "Result of the simulation have to be <<
139 G4Exception("G4PenelopeComptonModel::Initi <<
140 "em2100",JustWarning,ed); <<
141 } 127 }
142 } << 128 }
143 129
144 if(fIsInitialised) return; << 130 if(isInitialised) return;
145 fParticleChange = GetParticleChangeForGamma( 131 fParticleChange = GetParticleChangeForGamma();
146 fIsInitialised = true; << 132 isInitialised = true;
147 133
148 } 134 }
149 135
150 //....oooOO0OOooo........oooOO0OOooo........oo 136 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo....
151 137
152 void G4PenelopeComptonModel::InitialiseLocal(c 138 void G4PenelopeComptonModel::InitialiseLocal(const G4ParticleDefinition* part,
153 139 G4VEmModel *masterModel)
154 { 140 {
155 if (fVerboseLevel > 3) << 141 if (verboseLevel > 3)
156 G4cout << "Calling G4PenelopeComptonModel 142 G4cout << "Calling G4PenelopeComptonModel::InitialiseLocal()" << G4endl;
>> 143
157 // 144 //
158 //Check that particle matches: one might hav << 145 //Check that particle matches: one might have multiple master models (e.g.
159 //for e+ and e-). 146 //for e+ and e-).
160 // 147 //
161 if (part == fParticle) 148 if (part == fParticle)
162 { 149 {
163 //Get the const table pointers from the 150 //Get the const table pointers from the master to the workers
164 const G4PenelopeComptonModel* theModel = << 151 const G4PenelopeComptonModel* theModel =
165 static_cast<G4PenelopeComptonModel*> ( 152 static_cast<G4PenelopeComptonModel*> (masterModel);
166 << 153
167 //Same verbosity for all workers, as the 154 //Same verbosity for all workers, as the master
168 fVerboseLevel = theModel->fVerboseLevel; << 155 verboseLevel = theModel->verboseLevel;
169 } 156 }
>> 157
170 return; 158 return;
171 } 159 }
172 160
173 161
174 //....oooOO0OOooo........oooOO0OOooo........oo 162 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo....
175 163
176 G4double G4PenelopeComptonModel::CrossSectionP 164 G4double G4PenelopeComptonModel::CrossSectionPerVolume(const G4Material* material,
177 165 const G4ParticleDefinition* p,
178 166 G4double energy,
179 167 G4double,
180 168 G4double)
181 { 169 {
182 // Penelope model v2008 to calculate the Com 170 // Penelope model v2008 to calculate the Compton scattering cross section:
183 // D. Brusa et al., Nucl. Instrum. Meth. A 3 171 // D. Brusa et al., Nucl. Instrum. Meth. A 379 (1996) 167
184 // << 172 //
185 // The cross section for Compton scattering << 173 // The cross section for Compton scattering is calculated according to the Klein-Nishina
186 // formula for energy > 5 MeV. 174 // formula for energy > 5 MeV.
187 // For E < 5 MeV it is used a parametrizatio 175 // For E < 5 MeV it is used a parametrization for the differential cross-section dSigma/dOmega,
188 // which is integrated numerically in cos(th 176 // which is integrated numerically in cos(theta), G4PenelopeComptonModel::DifferentialCrossSection().
189 // The parametrization includes the J(p) << 177 // The parametrization includes the J(p)
190 // distribution profiles for the atomic shel << 178 // distribution profiles for the atomic shells, that are tabulated from Hartree-Fock calculations
191 // from F. Biggs et al., At. Data Nucl. Data 179 // from F. Biggs et al., At. Data Nucl. Data Tables 16 (1975) 201
192 // 180 //
193 if (fVerboseLevel > 3) << 181 if (verboseLevel > 3)
194 G4cout << "Calling CrossSectionPerVolume() 182 G4cout << "Calling CrossSectionPerVolume() of G4PenelopeComptonModel" << G4endl;
195 SetupForMaterial(p, material, energy); 183 SetupForMaterial(p, material, energy);
196 184
197 G4double cs = 0; <<
198 //Force null cross-section if below the low- <<
199 if (energy < LowEnergyLimit()) <<
200 return cs; <<
201 <<
202 //Retrieve the oscillator table for this mat 185 //Retrieve the oscillator table for this material
203 G4PenelopeOscillatorTable* theTable = fOscMa << 186 G4PenelopeOscillatorTable* theTable = oscManager->GetOscillatorTableCompton(material);
>> 187
>> 188 G4double cs = 0;
204 189
205 if (energy < 5*MeV) //explicit calculation f 190 if (energy < 5*MeV) //explicit calculation for E < 5 MeV
206 { 191 {
207 size_t numberOfOscillators = theTable->s 192 size_t numberOfOscillators = theTable->size();
208 for (size_t i=0;i<numberOfOscillators;i+ 193 for (size_t i=0;i<numberOfOscillators;i++)
209 { 194 {
210 G4PenelopeOscillator* theOsc = (*theTable) 195 G4PenelopeOscillator* theOsc = (*theTable)[i];
211 //sum contributions coming from each oscil 196 //sum contributions coming from each oscillator
212 cs += OscillatorTotalCrossSection(energy,t 197 cs += OscillatorTotalCrossSection(energy,theOsc);
213 } 198 }
214 } 199 }
215 else //use Klein-Nishina for E>5 MeV 200 else //use Klein-Nishina for E>5 MeV
216 cs = KleinNishinaCrossSection(energy,mater 201 cs = KleinNishinaCrossSection(energy,material);
217 << 202
218 //cross sections are in units of pi*classic_ 203 //cross sections are in units of pi*classic_electr_radius^2
219 cs *= pi*classic_electr_radius*classic_elect 204 cs *= pi*classic_electr_radius*classic_electr_radius;
220 205
221 //Now, cs is the cross section *per molecule << 206 //Now, cs is the cross section *per molecule*, let's calculate the
222 //cross section per volume 207 //cross section per volume
>> 208
223 G4double atomDensity = material->GetTotNbOfA 209 G4double atomDensity = material->GetTotNbOfAtomsPerVolume();
224 G4double atPerMol = fOscManager->GetAtomsPe << 210 G4double atPerMol = oscManager->GetAtomsPerMolecule(material);
225 211
226 if (fVerboseLevel > 3) << 212 if (verboseLevel > 3)
227 G4cout << "Material " << material->GetName << 213 G4cout << "Material " << material->GetName() << " has " << atPerMol <<
228 "atoms per molecule" << G4endl; 214 "atoms per molecule" << G4endl;
229 215
230 G4double moleculeDensity = 0.; 216 G4double moleculeDensity = 0.;
231 217
232 if (atPerMol) 218 if (atPerMol)
233 moleculeDensity = atomDensity/atPerMol; 219 moleculeDensity = atomDensity/atPerMol;
234 220
235 G4double csvolume = cs*moleculeDensity; 221 G4double csvolume = cs*moleculeDensity;
236 << 222
237 if (fVerboseLevel > 2) << 223 if (verboseLevel > 2)
238 G4cout << "Compton mean free path at " << << 224 G4cout << "Compton mean free path at " << energy/keV << " keV for material " <<
239 material->GetName() << " = " << (1 225 material->GetName() << " = " << (1./csvolume)/mm << " mm" << G4endl;
240 return csvolume; 226 return csvolume;
241 } 227 }
242 228
243 //....oooOO0OOooo........oooOO0OOooo........oo 229 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo....
244 230
245 //This is a dummy method. Never inkoved by the 231 //This is a dummy method. Never inkoved by the tracking, it just issues
246 //a warning if one tries to get Cross Sections 232 //a warning if one tries to get Cross Sections per Atom via the
247 //G4EmCalculator. 233 //G4EmCalculator.
248 G4double G4PenelopeComptonModel::ComputeCrossS 234 G4double G4PenelopeComptonModel::ComputeCrossSectionPerAtom(const G4ParticleDefinition*,
249 235 G4double,
250 236 G4double,
251 237 G4double,
252 238 G4double,
253 239 G4double)
254 { 240 {
255 G4cout << "*** G4PenelopeComptonModel -- WAR 241 G4cout << "*** G4PenelopeComptonModel -- WARNING ***" << G4endl;
256 G4cout << "Penelope Compton model v2008 does 242 G4cout << "Penelope Compton model v2008 does not calculate cross section _per atom_ " << G4endl;
257 G4cout << "so the result is always zero. For 243 G4cout << "so the result is always zero. For physics values, please invoke " << G4endl;
258 G4cout << "GetCrossSectionPerVolume() or Get 244 G4cout << "GetCrossSectionPerVolume() or GetMeanFreePath() via the G4EmCalculator" << G4endl;
259 return 0; 245 return 0;
260 } 246 }
261 247
262 //....oooOO0OOooo........oooOO0OOooo........oo 248 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo....
263 249
264 void G4PenelopeComptonModel::SampleSecondaries 250 void G4PenelopeComptonModel::SampleSecondaries(std::vector<G4DynamicParticle*>* fvect,
265 const G4MaterialCutsCouple* c 251 const G4MaterialCutsCouple* couple,
266 const G4DynamicParticle* aDyna 252 const G4DynamicParticle* aDynamicGamma,
267 G4double, 253 G4double,
268 G4double) 254 G4double)
269 { 255 {
>> 256
270 // Penelope model v2008 to sample the Compto 257 // Penelope model v2008 to sample the Compton scattering final state.
271 // D. Brusa et al., Nucl. Instrum. Meth. A 3 258 // D. Brusa et al., Nucl. Instrum. Meth. A 379 (1996) 167
272 // The model determines also the original sh << 259 // The model determines also the original shell from which the electron is expelled,
273 // in order to produce fluorescence de-excit 260 // in order to produce fluorescence de-excitation (from G4DeexcitationManager)
274 // << 261 //
275 // The final state for Compton scattering is << 262 // The final state for Compton scattering is calculated according to the Klein-Nishina
276 // formula for energy > 5 MeV. In this case, << 263 // formula for energy > 5 MeV. In this case, the Doppler broadening is negligible and
277 // one can assume that the target electron i 264 // one can assume that the target electron is at rest.
278 // For E < 5 MeV it is used the parametrizat 265 // For E < 5 MeV it is used the parametrization for the differential cross-section dSigma/dOmega,
279 // to sample the scattering angle and the en << 266 // to sample the scattering angle and the energy of the emerging electron, which is
280 // G4PenelopeComptonModel::DifferentialCross << 267 // G4PenelopeComptonModel::DifferentialCrossSection(). The rejection method is
281 // used to sample cos(theta). The efficiency << 268 // used to sample cos(theta). The efficiency increases monotonically with photon energy and is
282 // nearly independent on the Z; typical valu << 269 // nearly independent on the Z; typical values are 35%, 80% and 95% for 1 keV, 1 MeV and 10 MeV,
283 // respectively. 270 // respectively.
284 // The parametrization includes the J(p) dis << 271 // The parametrization includes the J(p) distribution profiles for the atomic shells, that are
285 // tabulated << 272 // tabulated
286 // from Hartree-Fock calculations from F. Bi << 273 // from Hartree-Fock calculations from F. Biggs et al., At. Data Nucl. Data Tables 16 (1975) 201.
287 // Doppler broadening is included. 274 // Doppler broadening is included.
288 // 275 //
289 276
290 if (fVerboseLevel > 3) << 277 if (verboseLevel > 3)
291 G4cout << "Calling SampleSecondaries() of 278 G4cout << "Calling SampleSecondaries() of G4PenelopeComptonModel" << G4endl;
292 << 279
293 G4double photonEnergy0 = aDynamicGamma->GetK 280 G4double photonEnergy0 = aDynamicGamma->GetKineticEnergy();
294 281
295 // do nothing below the threshold << 282 if (photonEnergy0 <= fIntrinsicLowEnergyLimit)
296 // should never get here because the XS is z << 283 {
297 if(photonEnergy0 < LowEnergyLimit()) << 284 fParticleChange->ProposeTrackStatus(fStopAndKill);
298 return; << 285 fParticleChange->SetProposedKineticEnergy(0.);
>> 286 fParticleChange->ProposeLocalEnergyDeposit(photonEnergy0);
>> 287 return ;
>> 288 }
299 289
300 G4ParticleMomentum photonDirection0 = aDynam 290 G4ParticleMomentum photonDirection0 = aDynamicGamma->GetMomentumDirection();
301 const G4Material* material = couple->GetMate 291 const G4Material* material = couple->GetMaterial();
302 292
303 G4PenelopeOscillatorTable* theTable = fOscMa << 293 G4PenelopeOscillatorTable* theTable = oscManager->GetOscillatorTableCompton(material);
304 294
305 const G4int nmax = 64; 295 const G4int nmax = 64;
306 G4double rn[nmax]={0.0}; 296 G4double rn[nmax]={0.0};
307 G4double pac[nmax]={0.0}; 297 G4double pac[nmax]={0.0};
308 << 298
309 G4double S=0.0; 299 G4double S=0.0;
310 G4double epsilon = 0.0; 300 G4double epsilon = 0.0;
311 G4double cosTheta = 1.0; 301 G4double cosTheta = 1.0;
312 G4double hartreeFunc = 0.0; 302 G4double hartreeFunc = 0.0;
313 G4double oscStren = 0.0; 303 G4double oscStren = 0.0;
314 size_t numberOfOscillators = theTable->size( 304 size_t numberOfOscillators = theTable->size();
315 size_t targetOscillator = 0; 305 size_t targetOscillator = 0;
316 G4double ionEnergy = 0.0*eV; 306 G4double ionEnergy = 0.0*eV;
317 307
318 G4double ek = photonEnergy0/electron_mass_c2 308 G4double ek = photonEnergy0/electron_mass_c2;
319 G4double ek2 = 2.*ek+1.0; 309 G4double ek2 = 2.*ek+1.0;
320 G4double eks = ek*ek; 310 G4double eks = ek*ek;
321 G4double ek1 = eks-ek2-1.0; 311 G4double ek1 = eks-ek2-1.0;
322 312
323 G4double taumin = 1.0/ek2; 313 G4double taumin = 1.0/ek2;
324 //This is meant to fix a possible (rare) flo << 314 G4double a1 = std::log(ek2);
325 //causing an infinite loop. The maximum of t <<
326 //be represented (i.e. ~ 1. - 1e-16). Fix by <<
327 static G4double taumax = std::nexttoward(1.0 <<
328 if (fVerboseLevel > 3) <<
329 G4cout << "G4PenelopeComptonModel: maximum <<
330 //To here. <<
331 G4double a1 = G4Log(ek2); <<
332 G4double a2 = a1+2.0*ek*(1.0+ek)/(ek2*ek2); 315 G4double a2 = a1+2.0*ek*(1.0+ek)/(ek2*ek2);
333 316
334 G4double TST = 0; 317 G4double TST = 0;
335 G4double tau = 0.; 318 G4double tau = 0.;
336 << 319
337 //If the incoming photon is above 5 MeV, the << 320 //If the incoming photon is above 5 MeV, the quicker approach based on the
338 //pure Klein-Nishina formula is used 321 //pure Klein-Nishina formula is used
339 if (photonEnergy0 > 5*MeV) 322 if (photonEnergy0 > 5*MeV)
340 { 323 {
341 do{ 324 do{
342 do{ 325 do{
343 if ((a2*G4UniformRand()) < a1) 326 if ((a2*G4UniformRand()) < a1)
344 tau = std::pow(taumin,G4UniformRand()); << 327 tau = std::pow(taumin,G4UniformRand());
345 else 328 else
346 tau = std::sqrt(1.0+G4UniformRand()*(tau << 329 tau = std::sqrt(1.0+G4UniformRand()*(taumin*taumin-1.0));
347 //rejection function 330 //rejection function
348 TST = (1.0+tau*(ek1+tau*(ek2+tau*eks)))/(e 331 TST = (1.0+tau*(ek1+tau*(ek2+tau*eks)))/(eks*tau*(1.0+tau*tau));
349 }while (G4UniformRand()> TST); 332 }while (G4UniformRand()> TST);
350 if (tau > taumax) tau = taumax; //prevent FP <<
351 epsilon=tau; 333 epsilon=tau;
352 cosTheta = 1.0 - (1.0-tau)/(ek*tau); 334 cosTheta = 1.0 - (1.0-tau)/(ek*tau);
353 335
354 //Target shell electrons << 336 //Target shell electrons
355 TST = fOscManager->GetTotalZ(material)*G4Uni << 337 TST = oscManager->GetTotalZ(material)*G4UniformRand();
356 targetOscillator = numberOfOscillators-1; // 338 targetOscillator = numberOfOscillators-1; //last level
357 S=0.0; 339 S=0.0;
358 G4bool levelFound = false; 340 G4bool levelFound = false;
359 for (size_t j=0;j<numberOfOscillators && !le 341 for (size_t j=0;j<numberOfOscillators && !levelFound; j++)
360 { 342 {
361 S += (*theTable)[j]->GetOscillatorStreng << 343 S += (*theTable)[j]->GetOscillatorStrength();
362 if (S > TST) << 344 if (S > TST)
363 { 345 {
364 targetOscillator = j; 346 targetOscillator = j;
365 levelFound = true; 347 levelFound = true;
366 } 348 }
367 } 349 }
368 //check whether the level is valid 350 //check whether the level is valid
369 ionEnergy = (*theTable)[targetOscillator]->G 351 ionEnergy = (*theTable)[targetOscillator]->GetIonisationEnergy();
370 }while((epsilon*photonEnergy0-photonEner 352 }while((epsilon*photonEnergy0-photonEnergy0+ionEnergy) >0);
371 } 353 }
372 else //photonEnergy0 < 5 MeV 354 else //photonEnergy0 < 5 MeV
373 { 355 {
374 //Incoherent scattering function for the 356 //Incoherent scattering function for theta=PI
375 G4double s0=0.0; 357 G4double s0=0.0;
376 G4double pzomc=0.0; 358 G4double pzomc=0.0;
377 G4double rni=0.0; 359 G4double rni=0.0;
378 G4double aux=0.0; 360 G4double aux=0.0;
379 for (size_t i=0;i<numberOfOscillators;i+ 361 for (size_t i=0;i<numberOfOscillators;i++)
380 { 362 {
381 ionEnergy = (*theTable)[i]->GetIonisationE 363 ionEnergy = (*theTable)[i]->GetIonisationEnergy();
382 if (photonEnergy0 > ionEnergy) 364 if (photonEnergy0 > ionEnergy)
383 { 365 {
384 G4double aux2 = photonEnergy0*(photonE 366 G4double aux2 = photonEnergy0*(photonEnergy0-ionEnergy)*2.0;
385 hartreeFunc = (*theTable)[i]->GetHartr << 367 hartreeFunc = (*theTable)[i]->GetHartreeFactor();
386 oscStren = (*theTable)[i]->GetOscillat 368 oscStren = (*theTable)[i]->GetOscillatorStrength();
387 pzomc = hartreeFunc*(aux2-electron_mas 369 pzomc = hartreeFunc*(aux2-electron_mass_c2*ionEnergy)/
388 (electron_mass_c2*std::sqrt(2.0*aux2+ionEn 370 (electron_mass_c2*std::sqrt(2.0*aux2+ionEnergy*ionEnergy));
389 if (pzomc > 0) << 371 if (pzomc > 0)
390 rni = 1.0-0.5*G4Exp(0.5-(std::sqrt(0.5)+st << 372 rni = 1.0-0.5*std::exp(0.5-(std::sqrt(0.5)+std::sqrt(2.0)*pzomc)*
391 (std::sqrt(0.5)+std::sqrt(2.0)* << 373 (std::sqrt(0.5)+std::sqrt(2.0)*pzomc));
392 else << 374 else
393 rni = 0.5*G4Exp(0.5-(std::sqrt(0.5)-std::s << 375 rni = 0.5*std::exp(0.5-(std::sqrt(0.5)-std::sqrt(2.0)*pzomc)*
394 (std::sqrt(0.5)-std::sqrt(2.0)*pzom << 376 (std::sqrt(0.5)-std::sqrt(2.0)*pzomc));
395 s0 += oscStren*rni; 377 s0 += oscStren*rni;
396 } 378 }
397 } << 379 }
398 //Sampling tau 380 //Sampling tau
399 G4double cdt1 = 0.; 381 G4double cdt1 = 0.;
400 do 382 do
401 { 383 {
402 if ((G4UniformRand()*a2) < a1) << 384 if ((G4UniformRand()*a2) < a1)
403 tau = std::pow(taumin,G4UniformRand()); << 385 tau = std::pow(taumin,G4UniformRand());
404 else << 386 else
405 tau = std::sqrt(1.0+G4UniformRand()*(tau << 387 tau = std::sqrt(1.0+G4UniformRand()*(taumin*taumin-1.0));
406 if (tau > taumax) tau = taumax; //prevent <<
407 cdt1 = (1.0-tau)/(ek*tau); 388 cdt1 = (1.0-tau)/(ek*tau);
408 //Incoherent scattering function 389 //Incoherent scattering function
409 S = 0.; 390 S = 0.;
410 for (size_t i=0;i<numberOfOscillators;i++) 391 for (size_t i=0;i<numberOfOscillators;i++)
411 { 392 {
412 ionEnergy = (*theTable)[i]->GetIonisat 393 ionEnergy = (*theTable)[i]->GetIonisationEnergy();
413 if (photonEnergy0 > ionEnergy) //sum o 394 if (photonEnergy0 > ionEnergy) //sum only on excitable levels
414 { 395 {
415 aux = photonEnergy0*(photonEnergy0-ionEn 396 aux = photonEnergy0*(photonEnergy0-ionEnergy)*cdt1;
416 hartreeFunc = (*theTable)[i]->GetHartree << 397 hartreeFunc = (*theTable)[i]->GetHartreeFactor();
417 oscStren = (*theTable)[i]->GetOscillator 398 oscStren = (*theTable)[i]->GetOscillatorStrength();
418 pzomc = hartreeFunc*(aux-electron_mass_c 399 pzomc = hartreeFunc*(aux-electron_mass_c2*ionEnergy)/
419 (electron_mass_c2*std::sqrt(2.0*aux+io 400 (electron_mass_c2*std::sqrt(2.0*aux+ionEnergy*ionEnergy));
420 if (pzomc > 0) << 401 if (pzomc > 0)
421 rn[i] = 1.0-0.5*G4Exp(0.5-(std::sqrt(0 << 402 rn[i] = 1.0-0.5*std::exp(0.5-(std::sqrt(0.5)+std::sqrt(2.0)*pzomc)*
422 (std::sqrt(0.5)+std::sqrt(2.0)* << 403 (std::sqrt(0.5)+std::sqrt(2.0)*pzomc));
423 else << 404 else
424 rn[i] = 0.5*G4Exp(0.5-(std::sqrt(0.5)- << 405 rn[i] = 0.5*std::exp(0.5-(std::sqrt(0.5)-std::sqrt(2.0)*pzomc)*
425 (std::sqrt(0.5)-std::sqrt(2.0)*pzom << 406 (std::sqrt(0.5)-std::sqrt(2.0)*pzomc));
426 S += oscStren*rn[i]; 407 S += oscStren*rn[i];
427 pac[i] = S; 408 pac[i] = S;
428 } 409 }
429 else 410 else
430 pac[i] = S-1e-6; << 411 pac[i] = S-1e-6;
431 } 412 }
432 //Rejection function 413 //Rejection function
433 TST = S*(1.0+tau*(ek1+tau*(ek2+tau*eks)))/ << 414 TST = S*(1.0+tau*(ek1+tau*(ek2+tau*eks)))/(eks*tau*(1.0+tau*tau));
434 }while ((G4UniformRand()*s0) > TST); 415 }while ((G4UniformRand()*s0) > TST);
435 416
436 cosTheta = 1.0 - cdt1; 417 cosTheta = 1.0 - cdt1;
437 G4double fpzmax=0.0,fpz=0.0; 418 G4double fpzmax=0.0,fpz=0.0;
438 G4double A=0.0; 419 G4double A=0.0;
439 //Target electron shell 420 //Target electron shell
440 do 421 do
441 { 422 {
442 do 423 do
443 { 424 {
444 TST = S*G4UniformRand(); 425 TST = S*G4UniformRand();
445 targetOscillator = numberOfOscillators 426 targetOscillator = numberOfOscillators-1; //last level
446 G4bool levelFound = false; 427 G4bool levelFound = false;
447 for (size_t i=0;i<numberOfOscillators 428 for (size_t i=0;i<numberOfOscillators && !levelFound;i++)
448 { 429 {
449 if (pac[i]>TST) << 430 if (pac[i]>TST)
450 { << 431 {
451 targetOscillator = i; 432 targetOscillator = i;
452 levelFound = true; 433 levelFound = true;
453 } 434 }
454 } 435 }
455 A = G4UniformRand()*rn[targetOscillato 436 A = G4UniformRand()*rn[targetOscillator];
456 hartreeFunc = (*theTable)[targetOscill << 437 hartreeFunc = (*theTable)[targetOscillator]->GetHartreeFactor();
457 oscStren = (*theTable)[targetOscillato 438 oscStren = (*theTable)[targetOscillator]->GetOscillatorStrength();
458 if (A < 0.5) << 439 if (A < 0.5)
459 pzomc = (std::sqrt(0.5)-std::sqrt(0.5-G4Lo << 440 pzomc = (std::sqrt(0.5)-std::sqrt(0.5-std::log(2.0*A)))/
460 (std::sqrt(2.0)*hartreeFunc); << 441 (std::sqrt(2.0)*hartreeFunc);
461 else << 442 else
462 pzomc = (std::sqrt(0.5-G4Log(2.0-2.0*A))-s << 443 pzomc = (std::sqrt(0.5-std::log(2.0-2.0*A))-std::sqrt(0.5))/
463 (std::sqrt(2.0)*hartreeFunc); << 444 (std::sqrt(2.0)*hartreeFunc);
464 } while (pzomc < -1); 445 } while (pzomc < -1);
465 446
466 // F(EP) rejection 447 // F(EP) rejection
467 G4double XQC = 1.0+tau*(tau-2.0*cosTheta); 448 G4double XQC = 1.0+tau*(tau-2.0*cosTheta);
468 G4double AF = std::sqrt(XQC)*(1.0+tau*(tau 449 G4double AF = std::sqrt(XQC)*(1.0+tau*(tau-cosTheta)/XQC);
469 if (AF > 0) << 450 if (AF > 0)
470 fpzmax = 1.0+AF*0.2; 451 fpzmax = 1.0+AF*0.2;
471 else 452 else
472 fpzmax = 1.0-AF*0.2; << 453 fpzmax = 1.0-AF*0.2;
473 fpz = 1.0+AF*std::max(std::min(pzomc,0.2), 454 fpz = 1.0+AF*std::max(std::min(pzomc,0.2),-0.2);
474 }while ((fpzmax*G4UniformRand())>fpz); 455 }while ((fpzmax*G4UniformRand())>fpz);
475 << 456
476 //Energy of the scattered photon 457 //Energy of the scattered photon
477 G4double T = pzomc*pzomc; 458 G4double T = pzomc*pzomc;
478 G4double b1 = 1.0-T*tau*tau; 459 G4double b1 = 1.0-T*tau*tau;
479 G4double b2 = 1.0-T*tau*cosTheta; 460 G4double b2 = 1.0-T*tau*cosTheta;
480 if (pzomc > 0.0) << 461 if (pzomc > 0.0)
481 epsilon = (tau/b1)*(b2+std::sqrt(std::abs(b2 << 462 epsilon = (tau/b1)*(b2+std::sqrt(std::abs(b2*b2-b1*(1.0-T))));
482 else << 463 else
483 epsilon = (tau/b1)*(b2-std::sqrt(std::abs(b2 << 464 epsilon = (tau/b1)*(b2-std::sqrt(std::abs(b2*b2-b1*(1.0-T))));
484 } //energy < 5 MeV 465 } //energy < 5 MeV
485 << 466
486 //Ok, the kinematics has been calculated. 467 //Ok, the kinematics has been calculated.
487 G4double sinTheta = std::sqrt(1-cosTheta*cos 468 G4double sinTheta = std::sqrt(1-cosTheta*cosTheta);
488 G4double phi = twopi * G4UniformRand() ; 469 G4double phi = twopi * G4UniformRand() ;
489 G4double dirx = sinTheta * std::cos(phi); 470 G4double dirx = sinTheta * std::cos(phi);
490 G4double diry = sinTheta * std::sin(phi); 471 G4double diry = sinTheta * std::sin(phi);
491 G4double dirz = cosTheta ; 472 G4double dirz = cosTheta ;
492 473
493 // Update G4VParticleChange for the scattere 474 // Update G4VParticleChange for the scattered photon
494 G4ThreeVector photonDirection1(dirx,diry,dir 475 G4ThreeVector photonDirection1(dirx,diry,dirz);
495 photonDirection1.rotateUz(photonDirection0); 476 photonDirection1.rotateUz(photonDirection0);
496 fParticleChange->ProposeMomentumDirection(ph 477 fParticleChange->ProposeMomentumDirection(photonDirection1) ;
497 478
498 G4double photonEnergy1 = epsilon * photonEne 479 G4double photonEnergy1 = epsilon * photonEnergy0;
499 480
500 if (photonEnergy1 > 0.) << 481 if (photonEnergy1 > 0.)
501 fParticleChange->SetProposedKineticEnergy( << 482 fParticleChange->SetProposedKineticEnergy(photonEnergy1) ;
502 else 483 else
503 { 484 {
504 fParticleChange->SetProposedKineticEnergy( 485 fParticleChange->SetProposedKineticEnergy(0.) ;
505 fParticleChange->ProposeTrackStatus(fStopA 486 fParticleChange->ProposeTrackStatus(fStopAndKill);
506 } 487 }
507 << 488
508 //Create scattered electron 489 //Create scattered electron
509 G4double diffEnergy = photonEnergy0*(1-epsil 490 G4double diffEnergy = photonEnergy0*(1-epsilon);
510 ionEnergy = (*theTable)[targetOscillator]->G 491 ionEnergy = (*theTable)[targetOscillator]->GetIonisationEnergy();
511 492
512 G4double Q2 = << 493 G4double Q2 =
513 photonEnergy0*photonEnergy0+photonEnergy1* 494 photonEnergy0*photonEnergy0+photonEnergy1*(photonEnergy1-2.0*photonEnergy0*cosTheta);
514 G4double cosThetaE = 0.; //scattering angle 495 G4double cosThetaE = 0.; //scattering angle for the electron
515 496
516 if (Q2 > 1.0e-12) << 497 if (Q2 > 1.0e-12)
517 cosThetaE = (photonEnergy0-photonEnergy1*c << 498 cosThetaE = (photonEnergy0-photonEnergy1*cosTheta)/std::sqrt(Q2);
518 else << 499 else
519 cosThetaE = 1.0; << 500 cosThetaE = 1.0;
520 G4double sinThetaE = std::sqrt(1-cosThetaE*c 501 G4double sinThetaE = std::sqrt(1-cosThetaE*cosThetaE);
521 502
522 //Now, try to handle fluorescence 503 //Now, try to handle fluorescence
523 //Notice: merged levels are indicated with Z 504 //Notice: merged levels are indicated with Z=0 and flag=30
524 G4int shFlag = (*theTable)[targetOscillator] << 505 G4int shFlag = (*theTable)[targetOscillator]->GetShellFlag();
525 G4int Z = (G4int) (*theTable)[targetOscillat 506 G4int Z = (G4int) (*theTable)[targetOscillator]->GetParentZ();
526 507
527 //initialize here, then check photons create 508 //initialize here, then check photons created by Atomic-Deexcitation, and the final state e-
528 G4double bindingEnergy = 0.*eV; 509 G4double bindingEnergy = 0.*eV;
529 const G4AtomicShell* shell = 0; 510 const G4AtomicShell* shell = 0;
530 511
531 //Real level 512 //Real level
532 if (Z > 0 && shFlag<30) 513 if (Z > 0 && shFlag<30)
533 { 514 {
534 shell = fTransitionManager->Shell(Z,shFl 515 shell = fTransitionManager->Shell(Z,shFlag-1);
535 bindingEnergy = shell->BindingEnergy(); << 516 bindingEnergy = shell->BindingEnergy();
536 } 517 }
537 518
538 G4double ionEnergyInPenelopeDatabase = ionEn 519 G4double ionEnergyInPenelopeDatabase = ionEnergy;
539 //protection against energy non-conservation 520 //protection against energy non-conservation
540 ionEnergy = std::max(bindingEnergy,ionEnergy << 521 ionEnergy = std::max(bindingEnergy,ionEnergyInPenelopeDatabase);
541 522
542 //subtract the excitation energy. If not emi 523 //subtract the excitation energy. If not emitted by fluorescence
543 //the ionization energy is deposited as loca 524 //the ionization energy is deposited as local energy deposition
544 G4double eKineticEnergy = diffEnergy - ionEn << 525 G4double eKineticEnergy = diffEnergy - ionEnergy;
545 G4double localEnergyDeposit = ionEnergy; << 526 G4double localEnergyDeposit = ionEnergy;
546 G4double energyInFluorescence = 0.; //testin 527 G4double energyInFluorescence = 0.; //testing purposes only
547 G4double energyInAuger = 0; //testing purpos 528 G4double energyInAuger = 0; //testing purposes
548 529
549 if (eKineticEnergy < 0) << 530 if (eKineticEnergy < 0)
550 { 531 {
551 //It means that there was some problem/m << 532 //It means that there was some problem/mismatch between the two databases.
552 //Try to make it work 533 //Try to make it work
553 //In this case available Energy (diffEne 534 //In this case available Energy (diffEnergy) < ionEnergy
554 //Full residual energy is deposited loca 535 //Full residual energy is deposited locally
555 localEnergyDeposit = diffEnergy; 536 localEnergyDeposit = diffEnergy;
556 eKineticEnergy = 0.0; 537 eKineticEnergy = 0.0;
557 } 538 }
558 539
559 //the local energy deposit is what remains: 540 //the local energy deposit is what remains: part of this may be spent for fluorescence.
560 //Notice: shell might be nullptr (invalid!) << 541 //Notice: shell might be NULL (invalid!) if shFlag=30. Must be protected
561 //Now, take care of fluorescence, if require 542 //Now, take care of fluorescence, if required
562 if (fAtomDeexcitation && shell) 543 if (fAtomDeexcitation && shell)
563 { << 544 {
564 G4int index = couple->GetIndex(); 545 G4int index = couple->GetIndex();
565 if (fAtomDeexcitation->CheckDeexcitation 546 if (fAtomDeexcitation->CheckDeexcitationActiveRegion(index))
566 { << 547 {
567 size_t nBefore = fvect->size(); 548 size_t nBefore = fvect->size();
568 fAtomDeexcitation->GenerateParticles(fvect 549 fAtomDeexcitation->GenerateParticles(fvect,shell,Z,index);
569 size_t nAfter = fvect->size(); << 550 size_t nAfter = fvect->size();
570 << 551
571 if (nAfter > nBefore) //actual production 552 if (nAfter > nBefore) //actual production of fluorescence
572 { 553 {
573 for (size_t j=nBefore;j<nAfter;j++) // 554 for (size_t j=nBefore;j<nAfter;j++) //loop on products
574 { 555 {
575 G4double itsEnergy = ((*fvect)[j])->GetK 556 G4double itsEnergy = ((*fvect)[j])->GetKineticEnergy();
576 if (itsEnergy < localEnergyDeposit) // v << 557 localEnergyDeposit -= itsEnergy;
577 { << 558 if (((*fvect)[j])->GetParticleDefinition() == G4Gamma::Definition())
578 localEnergyDeposit -= itsEnergy; << 559 energyInFluorescence += itsEnergy;
579 if (((*fvect)[j])->GetParticleDefini << 560 else if (((*fvect)[j])->GetParticleDefinition() == G4Electron::Definition())
580 energyInFluorescence += itsEnergy; << 561 energyInAuger += itsEnergy;
581 else if (((*fvect)[j])->GetParticleD << 562
582 G4Electron::Definition()) <<
583 energyInAuger += itsEnergy; <<
584 } <<
585 else //invalid secondary: takes more tha <<
586 { <<
587 delete (*fvect)[j]; <<
588 (*fvect)[j] = nullptr; <<
589 } <<
590 } 563 }
591 } 564 }
592 << 565
593 } 566 }
594 } 567 }
595 568
596 //Always produce explicitly the electron << 569
>> 570 /*
>> 571 if(DeexcitationFlag() && Z > 5 && shellId>0) {
>> 572
>> 573 const G4ProductionCutsTable* theCoupleTable=
>> 574 G4ProductionCutsTable::GetProductionCutsTable();
>> 575
>> 576 size_t index = couple->GetIndex();
>> 577 G4double cutg = (*(theCoupleTable->GetEnergyCutsVector(0)))[index];
>> 578 G4double cute = (*(theCoupleTable->GetEnergyCutsVector(1)))[index];
>> 579
>> 580 // Generation of fluorescence
>> 581 // Data in EADL are available only for Z > 5
>> 582 // Protection to avoid generating photons in the unphysical case of
>> 583 // shell binding energy > photon energy
>> 584 if (localEnergyDeposit > cutg || localEnergyDeposit > cute)
>> 585 {
>> 586 G4DynamicParticle* aPhoton;
>> 587 deexcitationManager.SetCutForSecondaryPhotons(cutg);
>> 588 deexcitationManager.SetCutForAugerElectrons(cute);
>> 589
>> 590 photonVector = deexcitationManager.GenerateParticles(Z,shellId);
>> 591 if(photonVector)
>> 592 {
>> 593 size_t nPhotons = photonVector->size();
>> 594 for (size_t k=0; k<nPhotons; k++)
>> 595 {
>> 596 aPhoton = (*photonVector)[k];
>> 597 if (aPhoton)
>> 598 {
>> 599 G4double itsEnergy = aPhoton->GetKineticEnergy();
>> 600 G4bool keepIt = false;
>> 601 if (itsEnergy <= localEnergyDeposit)
>> 602 {
>> 603 //check if good!
>> 604 if(aPhoton->GetDefinition() == G4Gamma::Gamma()
>> 605 && itsEnergy >= cutg)
>> 606 {
>> 607 keepIt = true;
>> 608 energyInFluorescence += itsEnergy;
>> 609 }
>> 610 if (aPhoton->GetDefinition() == G4Electron::Electron() &&
>> 611 itsEnergy >= cute)
>> 612 {
>> 613 energyInAuger += itsEnergy;
>> 614 keepIt = true;
>> 615 }
>> 616 }
>> 617 //good secondary, register it
>> 618 if (keepIt)
>> 619 {
>> 620 localEnergyDeposit -= itsEnergy;
>> 621 fvect->push_back(aPhoton);
>> 622 }
>> 623 else
>> 624 {
>> 625 delete aPhoton;
>> 626 (*photonVector)[k] = 0;
>> 627 }
>> 628 }
>> 629 }
>> 630 delete photonVector;
>> 631 }
>> 632 }
>> 633 }
>> 634 */
>> 635
>> 636
>> 637 //Always produce explicitely the electron
597 G4DynamicParticle* electron = 0; 638 G4DynamicParticle* electron = 0;
598 639
599 G4double xEl = sinThetaE * std::cos(phi+pi); << 640 G4double xEl = sinThetaE * std::cos(phi+pi);
600 G4double yEl = sinThetaE * std::sin(phi+pi); 641 G4double yEl = sinThetaE * std::sin(phi+pi);
601 G4double zEl = cosThetaE; 642 G4double zEl = cosThetaE;
602 G4ThreeVector eDirection(xEl,yEl,zEl); //ele 643 G4ThreeVector eDirection(xEl,yEl,zEl); //electron direction
603 eDirection.rotateUz(photonDirection0); 644 eDirection.rotateUz(photonDirection0);
604 electron = new G4DynamicParticle (G4Electron 645 electron = new G4DynamicParticle (G4Electron::Electron(),
605 eDirection,eKineticEnergy) ; 646 eDirection,eKineticEnergy) ;
606 fvect->push_back(electron); 647 fvect->push_back(electron);
>> 648
607 649
608 if (localEnergyDeposit < 0) //Should not be: << 650 if (localEnergyDeposit < 0)
609 { 651 {
610 G4Exception("G4PenelopeComptonModel::Sam << 652 G4cout << "WARNING-"
611 "em2099",JustWarning,"WARNING: Negative << 653 << "G4PenelopeComptonModel::SampleSecondaries - Negative energy deposit"
>> 654 << G4endl;
612 localEnergyDeposit=0.; 655 localEnergyDeposit=0.;
613 } 656 }
614 fParticleChange->ProposeLocalEnergyDeposit(l 657 fParticleChange->ProposeLocalEnergyDeposit(localEnergyDeposit);
615 << 658
616 G4double electronEnergy = 0.; 659 G4double electronEnergy = 0.;
617 if (electron) 660 if (electron)
618 electronEnergy = eKineticEnergy; 661 electronEnergy = eKineticEnergy;
619 if (fVerboseLevel > 1) << 662 if (verboseLevel > 1)
620 { 663 {
621 G4cout << "----------------------------- 664 G4cout << "-----------------------------------------------------------" << G4endl;
622 G4cout << "Energy balance from G4Penelop 665 G4cout << "Energy balance from G4PenelopeCompton" << G4endl;
623 G4cout << "Incoming photon energy: " << 666 G4cout << "Incoming photon energy: " << photonEnergy0/keV << " keV" << G4endl;
624 G4cout << "----------------------------- 667 G4cout << "-----------------------------------------------------------" << G4endl;
625 G4cout << "Scattered photon: " << photon 668 G4cout << "Scattered photon: " << photonEnergy1/keV << " keV" << G4endl;
626 G4cout << "Scattered electron " << elect 669 G4cout << "Scattered electron " << electronEnergy/keV << " keV" << G4endl;
627 if (energyInFluorescence) 670 if (energyInFluorescence)
628 G4cout << "Fluorescence x-rays: " << energyI 671 G4cout << "Fluorescence x-rays: " << energyInFluorescence/keV << " keV" << G4endl;
629 if (energyInAuger) 672 if (energyInAuger)
630 G4cout << "Auger electrons: " << energyInAug 673 G4cout << "Auger electrons: " << energyInAuger/keV << " keV" << G4endl;
631 G4cout << "Local energy deposit " << loc 674 G4cout << "Local energy deposit " << localEnergyDeposit/keV << " keV" << G4endl;
632 G4cout << "Total final state: " << (phot 675 G4cout << "Total final state: " << (photonEnergy1+electronEnergy+energyInFluorescence+
633 localEnergyDeposit+energyInAuger)/ << 676 localEnergyDeposit+energyInAuger)/keV <<
634 " keV" << G4endl; 677 " keV" << G4endl;
635 G4cout << "----------------------------- 678 G4cout << "-----------------------------------------------------------" << G4endl;
636 } 679 }
637 if (fVerboseLevel > 0) << 680 if (verboseLevel > 0)
638 { 681 {
639 G4double energyDiff = std::fabs(photonEn 682 G4double energyDiff = std::fabs(photonEnergy1+
640 electronEnergy+energyInFluoresce 683 electronEnergy+energyInFluorescence+
641 localEnergyDeposit+energyInAuger 684 localEnergyDeposit+energyInAuger-photonEnergy0);
642 if (energyDiff > 0.05*keV) 685 if (energyDiff > 0.05*keV)
643 G4cout << "Warning from G4PenelopeCompton: p << 686 G4cout << "Warning from G4PenelopeCompton: problem with energy conservation: " <<
644 (photonEnergy1+electronEnergy+energyInFluo << 687 (photonEnergy1+electronEnergy+energyInFluorescence+energyInAuger+localEnergyDeposit)/keV <<
645 " keV (final) vs. " << << 688 " keV (final) vs. " <<
646 photonEnergy0/keV << " keV (initial)" << G 689 photonEnergy0/keV << " keV (initial)" << G4endl;
647 } << 690 }
648 } 691 }
649 692
650 //....oooOO0OOooo........oooOO0OOooo........oo 693 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo....
651 694
652 G4double G4PenelopeComptonModel::DifferentialC 695 G4double G4PenelopeComptonModel::DifferentialCrossSection(G4double cosTheta,G4double energy,
653 G4PenelopeOscillator* osc) 696 G4PenelopeOscillator* osc)
654 { 697 {
655 // 698 //
656 // Penelope model v2008. Single differential << 699 // Penelope model v2008. Single differential cross section *per electron*
657 // for photon Compton scattering by << 700 // for photon Compton scattering by
658 // electrons in the given atomic oscillator, << 701 // electrons in the given atomic oscillator, differential in the direction of the
659 // scattering photon. This is in units of pi << 702 // scattering photon. This is in units of pi*classic_electr_radius**2
660 // 703 //
661 // D. Brusa et al., Nucl. Instrum. Meth. A 3 704 // D. Brusa et al., Nucl. Instrum. Meth. A 379 (1996) 167
662 // The parametrization includes the J(p) dis << 705 // The parametrization includes the J(p) distribution profiles for the atomic shells,
663 // that are tabulated from Hartree-Fock calc << 706 // that are tabulated from Hartree-Fock calculations
664 // from F. Biggs et al., At. Data Nucl. Data 707 // from F. Biggs et al., At. Data Nucl. Data Tables 16 (1975) 201
665 // 708 //
666 G4double ionEnergy = osc->GetIonisationEnerg 709 G4double ionEnergy = osc->GetIonisationEnergy();
667 G4double harFunc = osc->GetHartreeFactor(); << 710 G4double harFunc = osc->GetHartreeFactor();
668 711
669 static const G4double k2 = std::sqrt(2.); 712 static const G4double k2 = std::sqrt(2.);
670 static const G4double k1 = 1./k2; << 713 static const G4double k1 = 1./k2;
671 714
672 if (energy < ionEnergy) 715 if (energy < ionEnergy)
673 return 0; 716 return 0;
674 717
675 //energy of the Compton line 718 //energy of the Compton line
676 G4double cdt1 = 1.0-cosTheta; 719 G4double cdt1 = 1.0-cosTheta;
677 G4double EOEC = 1.0+(energy/electron_mass_c2 << 720 G4double EOEC = 1.0+(energy/electron_mass_c2)*cdt1;
678 G4double ECOE = 1.0/EOEC; 721 G4double ECOE = 1.0/EOEC;
679 722
680 //Incoherent scattering function (analytical 723 //Incoherent scattering function (analytical profile)
681 G4double aux = energy*(energy-ionEnergy)*cdt 724 G4double aux = energy*(energy-ionEnergy)*cdt1;
682 G4double Pzimax = << 725 G4double Pzimax =
683 (aux - electron_mass_c2*ionEnergy)/(electr 726 (aux - electron_mass_c2*ionEnergy)/(electron_mass_c2*std::sqrt(2*aux+ionEnergy*ionEnergy));
684 G4double sia = 0.0; 727 G4double sia = 0.0;
685 G4double x = harFunc*Pzimax; 728 G4double x = harFunc*Pzimax;
686 if (x > 0) << 729 if (x > 0)
687 sia = 1.0-0.5*G4Exp(0.5-(k1+k2*x)*(k1+k2*x << 730 sia = 1.0-0.5*std::exp(0.5-(k1+k2*x)*(k1+k2*x));
688 else << 731 else
689 sia = 0.5*G4Exp(0.5-(k1-k2*x)*(k1-k2*x)); << 732 sia = 0.5*std::exp(0.5-(k1-k2*x)*(k1-k2*x));
690 << 733
691 //1st order correction, integral of Pz times 734 //1st order correction, integral of Pz times the Compton profile.
692 //Calculated approximately using a free-elec 735 //Calculated approximately using a free-electron gas profile
693 G4double pf = 3.0/(4.0*harFunc); 736 G4double pf = 3.0/(4.0*harFunc);
694 if (std::fabs(Pzimax) < pf) 737 if (std::fabs(Pzimax) < pf)
695 { 738 {
696 G4double QCOE2 = 1.0+ECOE*ECOE-2.0*ECOE* 739 G4double QCOE2 = 1.0+ECOE*ECOE-2.0*ECOE*cosTheta;
697 G4double p2 = Pzimax*Pzimax; 740 G4double p2 = Pzimax*Pzimax;
698 G4double dspz = std::sqrt(QCOE2)* 741 G4double dspz = std::sqrt(QCOE2)*
699 (1.0+ECOE*(ECOE-cosTheta)/QCOE2)*harFunc 742 (1.0+ECOE*(ECOE-cosTheta)/QCOE2)*harFunc
700 *0.25*(2*p2-(p2*p2)/(pf*pf)-(pf*pf)); 743 *0.25*(2*p2-(p2*p2)/(pf*pf)-(pf*pf));
701 sia += std::max(dspz,-1.0*sia); 744 sia += std::max(dspz,-1.0*sia);
702 } 745 }
703 746
704 G4double XKN = EOEC+ECOE-1.0+cosTheta*cosThe 747 G4double XKN = EOEC+ECOE-1.0+cosTheta*cosTheta;
705 748
706 //Differential cross section (per electron, 749 //Differential cross section (per electron, in units of pi*classic_electr_radius**2)
707 G4double diffCS = ECOE*ECOE*XKN*sia; 750 G4double diffCS = ECOE*ECOE*XKN*sia;
708 751
709 return diffCS; 752 return diffCS;
710 } 753 }
711 754
712 //....oooOO0OOooo........oooOO0OOooo........oo 755 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo....
713 756
714 G4double G4PenelopeComptonModel::OscillatorTot 757 G4double G4PenelopeComptonModel::OscillatorTotalCrossSection(G4double energy,G4PenelopeOscillator* osc)
715 { 758 {
716 //Total cross section (integrated) for the g << 759 //Total cross section (integrated) for the given oscillator in units of
717 //pi*classic_electr_radius^2 760 //pi*classic_electr_radius^2
718 761
719 //Integrate differential cross section for e 762 //Integrate differential cross section for each oscillator
720 G4double stre = osc->GetOscillatorStrength() 763 G4double stre = osc->GetOscillatorStrength();
721 << 764
722 // here one uses the using the 20-point 765 // here one uses the using the 20-point
723 // Gauss quadrature method with an adaptive 766 // Gauss quadrature method with an adaptive bipartition scheme
724 const G4int npoints=10; 767 const G4int npoints=10;
725 const G4int ncallsmax=20000; 768 const G4int ncallsmax=20000;
726 const G4int nst=256; 769 const G4int nst=256;
727 static const G4double Abscissas[10] = {7.652 770 static const G4double Abscissas[10] = {7.652651133497334e-02,2.2778585114164508e-01,3.7370608871541956e-01,
728 5.1086700195082710e-01,6.36053680726 771 5.1086700195082710e-01,6.3605368072651503e-01,7.4633190646015079e-01,
729 8.3911697182221882e-01,9.12234428251 772 8.3911697182221882e-01,9.1223442825132591e-01,9.6397192727791379e-01,
730 9.9312859918509492e-01}; 773 9.9312859918509492e-01};
731 static const G4double Weights[10] = {1.52753 774 static const G4double Weights[10] = {1.5275338713072585e-01,1.4917298647260375e-01,1.4209610931838205e-01,
732 1.3168863844917663e-01,1.1819453196151 775 1.3168863844917663e-01,1.1819453196151842e-01,1.0193011981724044e-01,
733 8.3276741576704749e-02,6.2672048334109 776 8.3276741576704749e-02,6.2672048334109064e-02,4.0601429800386941e-02,
734 1.7614007139152118e-02}; 777 1.7614007139152118e-02};
735 778
736 G4double MaxError = 1e-5; 779 G4double MaxError = 1e-5;
737 //Error control 780 //Error control
738 G4double Ctol = std::min(std::max(MaxError,1 781 G4double Ctol = std::min(std::max(MaxError,1e-13),1e-02);
739 G4double Ptol = 0.01*Ctol; 782 G4double Ptol = 0.01*Ctol;
740 G4double Err=1e35; 783 G4double Err=1e35;
741 784
742 //Gauss integration from -1 to 1 785 //Gauss integration from -1 to 1
743 G4double LowPoint = -1.0; 786 G4double LowPoint = -1.0;
744 G4double HighPoint = 1.0; 787 G4double HighPoint = 1.0;
745 788
746 G4double h=HighPoint-LowPoint; 789 G4double h=HighPoint-LowPoint;
747 G4double sumga=0.0; 790 G4double sumga=0.0;
748 G4double a=0.5*(HighPoint-LowPoint); 791 G4double a=0.5*(HighPoint-LowPoint);
749 G4double b=0.5*(HighPoint+LowPoint); 792 G4double b=0.5*(HighPoint+LowPoint);
750 G4double c=a*Abscissas[0]; 793 G4double c=a*Abscissas[0];
751 G4double d= Weights[0]* 794 G4double d= Weights[0]*
752 (DifferentialCrossSection(b+c,energy,osc)+ 795 (DifferentialCrossSection(b+c,energy,osc)+DifferentialCrossSection(b-c,energy,osc));
753 for (G4int i=2;i<=npoints;i++) 796 for (G4int i=2;i<=npoints;i++)
754 { 797 {
755 c=a*Abscissas[i-1]; 798 c=a*Abscissas[i-1];
756 d += Weights[i-1]* 799 d += Weights[i-1]*
757 (DifferentialCrossSection(b+c,energy,osc)+Di 800 (DifferentialCrossSection(b+c,energy,osc)+DifferentialCrossSection(b-c,energy,osc));
758 } 801 }
759 G4int icall = 2*npoints; 802 G4int icall = 2*npoints;
760 G4int LH=1; 803 G4int LH=1;
761 G4double S[nst],x[nst],sn[nst],xrn[nst]; 804 G4double S[nst],x[nst],sn[nst],xrn[nst];
762 S[0]=d*a; 805 S[0]=d*a;
763 x[0]=LowPoint; 806 x[0]=LowPoint;
764 807
765 G4bool loopAgain = true; 808 G4bool loopAgain = true;
766 809
767 //Adaptive bipartition scheme 810 //Adaptive bipartition scheme
768 do{ 811 do{
769 G4double h0=h; 812 G4double h0=h;
770 h=0.5*h; //bipartition 813 h=0.5*h; //bipartition
771 G4double sumr=0; 814 G4double sumr=0;
772 G4int LHN=0; 815 G4int LHN=0;
773 G4double si,xa,xb,xc; 816 G4double si,xa,xb,xc;
774 for (G4int i=1;i<=LH;i++){ 817 for (G4int i=1;i<=LH;i++){
775 si=S[i-1]; 818 si=S[i-1];
776 xa=x[i-1]; 819 xa=x[i-1];
777 xb=xa+h; 820 xb=xa+h;
778 xc=xa+h0; 821 xc=xa+h0;
779 a=0.5*(xb-xa); 822 a=0.5*(xb-xa);
780 b=0.5*(xb+xa); 823 b=0.5*(xb+xa);
781 c=a*Abscissas[0]; 824 c=a*Abscissas[0];
782 G4double dLocal = Weights[0]* 825 G4double dLocal = Weights[0]*
783 (DifferentialCrossSection(b+c,energy,osc)+Di 826 (DifferentialCrossSection(b+c,energy,osc)+DifferentialCrossSection(b-c,energy,osc));
784 << 827
785 for (G4int j=1;j<npoints;j++) 828 for (G4int j=1;j<npoints;j++)
786 { 829 {
787 c=a*Abscissas[j]; 830 c=a*Abscissas[j];
788 dLocal += Weights[j]* 831 dLocal += Weights[j]*
789 (DifferentialCrossSection(b+c,energy,osc 832 (DifferentialCrossSection(b+c,energy,osc)+DifferentialCrossSection(b-c,energy,osc));
790 } << 833 }
791 G4double s1=dLocal*a; 834 G4double s1=dLocal*a;
792 a=0.5*(xc-xb); 835 a=0.5*(xc-xb);
793 b=0.5*(xc+xb); 836 b=0.5*(xc+xb);
794 c=a*Abscissas[0]; 837 c=a*Abscissas[0];
795 dLocal=Weights[0]* 838 dLocal=Weights[0]*
796 (DifferentialCrossSection(b+c,energy,osc)+Di 839 (DifferentialCrossSection(b+c,energy,osc)+DifferentialCrossSection(b-c,energy,osc));
797 << 840
798 for (G4int j=1;j<npoints;j++) 841 for (G4int j=1;j<npoints;j++)
799 { 842 {
800 c=a*Abscissas[j]; 843 c=a*Abscissas[j];
801 dLocal += Weights[j]* 844 dLocal += Weights[j]*
802 (DifferentialCrossSection(b+c,energy,osc 845 (DifferentialCrossSection(b+c,energy,osc)+DifferentialCrossSection(b-c,energy,osc));
803 } << 846 }
804 G4double s2=dLocal*a; 847 G4double s2=dLocal*a;
805 icall=icall+4*npoints; 848 icall=icall+4*npoints;
806 G4double s12=s1+s2; 849 G4double s12=s1+s2;
807 if (std::abs(s12-si)<std::max(Ptol*std:: 850 if (std::abs(s12-si)<std::max(Ptol*std::abs(s12),1e-35))
808 sumga += s12; 851 sumga += s12;
809 else 852 else
810 { 853 {
811 sumr += s12; 854 sumr += s12;
812 LHN += 2; 855 LHN += 2;
813 sn[LHN-1]=s2; 856 sn[LHN-1]=s2;
814 xrn[LHN-1]=xb; 857 xrn[LHN-1]=xb;
815 sn[LHN-2]=s1; 858 sn[LHN-2]=s1;
816 xrn[LHN-2]=xa; 859 xrn[LHN-2]=xa;
817 } 860 }
818 << 861
819 if (icall>ncallsmax || LHN>nst) 862 if (icall>ncallsmax || LHN>nst)
820 { 863 {
821 G4cout << "G4PenelopeComptonModel: " << G4 864 G4cout << "G4PenelopeComptonModel: " << G4endl;
822 G4cout << "LowPoint: " << LowPoint << ", H 865 G4cout << "LowPoint: " << LowPoint << ", High Point: " << HighPoint << G4endl;
823 G4cout << "Tolerance: " << MaxError << G4e 866 G4cout << "Tolerance: " << MaxError << G4endl;
824 G4cout << "Calls: " << icall << ", Integra 867 G4cout << "Calls: " << icall << ", Integral: " << sumga << ", Error: " << Err << G4endl;
825 G4cout << "Number of open subintervals: " 868 G4cout << "Number of open subintervals: " << LHN << G4endl;
826 G4cout << "WARNING: the required accuracy 869 G4cout << "WARNING: the required accuracy has not been attained" << G4endl;
827 loopAgain = false; 870 loopAgain = false;
828 } 871 }
829 } 872 }
830 Err=std::abs(sumr)/std::max(std::abs(sumr+ 873 Err=std::abs(sumr)/std::max(std::abs(sumr+sumga),1e-35);
831 if (Err < Ctol || LHN == 0) << 874 if (Err < Ctol || LHN == 0)
832 loopAgain = false; //end of cycle 875 loopAgain = false; //end of cycle
833 LH=LHN; 876 LH=LHN;
834 for (G4int i=0;i<LH;i++) 877 for (G4int i=0;i<LH;i++)
835 { 878 {
836 S[i]=sn[i]; 879 S[i]=sn[i];
837 x[i]=xrn[i]; 880 x[i]=xrn[i];
838 } 881 }
839 }while(Ctol < 1.0 && loopAgain); << 882 }while(Ctol < 1.0 && loopAgain);
>> 883
840 884
841 G4double xs = stre*sumga; 885 G4double xs = stre*sumga;
842 886
843 return xs; << 887 return xs;
844 } 888 }
845 889
846 //....oooOO0OOooo........oooOO0OOooo........oo 890 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo....
847 891
848 G4double G4PenelopeComptonModel::KleinNishinaC 892 G4double G4PenelopeComptonModel::KleinNishinaCrossSection(G4double energy,
849 const G4Material* material) 893 const G4Material* material)
850 { 894 {
851 // use Klein-Nishina formula 895 // use Klein-Nishina formula
852 // total cross section in units of pi*classi 896 // total cross section in units of pi*classic_electr_radius^2
>> 897
853 G4double cs = 0; 898 G4double cs = 0;
854 899
855 G4double ek =energy/electron_mass_c2; 900 G4double ek =energy/electron_mass_c2;
856 G4double eks = ek*ek; 901 G4double eks = ek*ek;
857 G4double ek2 = 1.0+ek+ek; 902 G4double ek2 = 1.0+ek+ek;
858 G4double ek1 = eks-ek2-1.0; 903 G4double ek1 = eks-ek2-1.0;
859 904
860 G4double t0 = 1.0/ek2; 905 G4double t0 = 1.0/ek2;
861 G4double csl = 0.5*eks*t0*t0+ek2*t0+ek1*G4Lo << 906 G4double csl = 0.5*eks*t0*t0+ek2*t0+ek1*std::log(t0)-(1.0/t0);
862 907
863 G4PenelopeOscillatorTable* theTable = fOscMa << 908 G4PenelopeOscillatorTable* theTable = oscManager->GetOscillatorTableCompton(material);
864 909
865 for (size_t i=0;i<theTable->size();i++) 910 for (size_t i=0;i<theTable->size();i++)
866 { 911 {
867 G4PenelopeOscillator* theOsc = (*theTabl 912 G4PenelopeOscillator* theOsc = (*theTable)[i];
868 G4double ionEnergy = theOsc->GetIonisati 913 G4double ionEnergy = theOsc->GetIonisationEnergy();
869 G4double tau=(energy-ionEnergy)/energy; 914 G4double tau=(energy-ionEnergy)/energy;
870 if (tau > t0) 915 if (tau > t0)
871 { 916 {
872 G4double csu = 0.5*eks*tau*tau+ek2*tau+ek1 << 917 G4double csu = 0.5*eks*tau*tau+ek2*tau+ek1*std::log(tau)-(1.0/tau);
873 G4double stre = theOsc->GetOscillatorStren 918 G4double stre = theOsc->GetOscillatorStrength();
874 919
875 cs += stre*(csu-csl); 920 cs += stre*(csu-csl);
876 } 921 }
877 } 922 }
>> 923
878 cs /= (ek*eks); 924 cs /= (ek*eks);
879 925
880 return cs; 926 return cs;
881 927
882 } 928 }
883 929
884 //....oooOO0OOooo........oooOO0OOooo........oo 930 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo...
885 931
886 void G4PenelopeComptonModel::SetParticle(const 932 void G4PenelopeComptonModel::SetParticle(const G4ParticleDefinition* p)
887 { 933 {
888 if(!fParticle) { 934 if(!fParticle) {
889 fParticle = p; << 935 fParticle = p;
890 } 936 }
891 } 937 }
892 938