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25 // 25 //
26 // 26 //
27 // Author: Luciano Pandola 27 // Author: Luciano Pandola
28 // 28 //
29 // History: 29 // History:
30 // -------- 30 // --------
31 // 15 Feb 2010 L Pandola Implementation 31 // 15 Feb 2010 L Pandola Implementation
32 // 18 Mar 2010 L Pandola Removed GetAtomsPe 32 // 18 Mar 2010 L Pandola Removed GetAtomsPerMolecule(), now demanded
33 // to G4PenelopeOsc 33 // to G4PenelopeOscillatorManager
34 // 01 Feb 2011 L Pandola Suppress fake ener 34 // 01 Feb 2011 L Pandola Suppress fake energy-violation warning when Auger is
35 // active. 35 // active.
36 // Make sure that flu 36 // Make sure that fluorescence/Auger is generated only
37 // if above thresho 37 // if above threshold
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" 58 #include "G4Exp.hh"
60 59
61 //....oooOO0OOooo........oooOO0OOooo........oo 60 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo....
62 61
>> 62
63 G4PenelopeComptonModel::G4PenelopeComptonModel 63 G4PenelopeComptonModel::G4PenelopeComptonModel(const G4ParticleDefinition* part,
64 const G4String& nam) 64 const G4String& nam)
65 :G4VEmModel(nam),fParticleChange(nullptr),fP << 65 :G4VEmModel(nam),fParticleChange(0),fParticle(0),
66 fAtomDeexcitation(nullptr), << 66 isInitialised(false),fAtomDeexcitation(0),
67 fOscManager(nullptr),fIsInitialised(false) << 67 oscManager(0)
68 { 68 {
69 fIntrinsicLowEnergyLimit = 100.0*eV; 69 fIntrinsicLowEnergyLimit = 100.0*eV;
70 fIntrinsicHighEnergyLimit = 100.0*GeV; 70 fIntrinsicHighEnergyLimit = 100.0*GeV;
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 } 127 }
128 //Issue a warning, if the model is going 128 //Issue a warning, if the model is going to be used down to a
129 //energy which is outside the validity o 129 //energy which is outside the validity of the model itself
130 if (LowEnergyLimit() < fIntrinsicLowEner 130 if (LowEnergyLimit() < fIntrinsicLowEnergyLimit)
131 { 131 {
132 G4ExceptionDescription ed; 132 G4ExceptionDescription ed;
133 ed << "Using the Penelope Compton model ou 133 ed << "Using the Penelope Compton model outside its intrinsic validity range. "
134 << G4endl; 134 << G4endl;
135 ed << "-> LowEnergyLimit() in process = " 135 ed << "-> LowEnergyLimit() in process = " << LowEnergyLimit()/keV << "keV " << G4endl;
136 ed << "-> Instrinsic low-energy limit = " 136 ed << "-> Instrinsic low-energy limit = " << fIntrinsicLowEnergyLimit/keV << "keV "
137 << G4endl; 137 << G4endl;
138 ed << "Result of the simulation have to be 138 ed << "Result of the simulation have to be taken with care" << G4endl;
139 G4Exception("G4PenelopeComptonModel::Initi 139 G4Exception("G4PenelopeComptonModel::Initialise()",
140 "em2100",JustWarning,ed); 140 "em2100",JustWarning,ed);
141 } 141 }
142 } 142 }
143 143
144 if(fIsInitialised) return; << 144 if(isInitialised) return;
145 fParticleChange = GetParticleChangeForGamma( 145 fParticleChange = GetParticleChangeForGamma();
146 fIsInitialised = true; << 146 isInitialised = true;
147 147
148 } 148 }
149 149
150 //....oooOO0OOooo........oooOO0OOooo........oo 150 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo....
151 151
152 void G4PenelopeComptonModel::InitialiseLocal(c 152 void G4PenelopeComptonModel::InitialiseLocal(const G4ParticleDefinition* part,
153 153 G4VEmModel *masterModel)
154 { 154 {
155 if (fVerboseLevel > 3) << 155 if (verboseLevel > 3)
156 G4cout << "Calling G4PenelopeComptonModel 156 G4cout << "Calling G4PenelopeComptonModel::InitialiseLocal()" << G4endl;
>> 157
157 // 158 //
158 //Check that particle matches: one might hav 159 //Check that particle matches: one might have multiple master models (e.g.
159 //for e+ and e-). 160 //for e+ and e-).
160 // 161 //
161 if (part == fParticle) 162 if (part == fParticle)
162 { 163 {
163 //Get the const table pointers from the 164 //Get the const table pointers from the master to the workers
164 const G4PenelopeComptonModel* theModel = 165 const G4PenelopeComptonModel* theModel =
165 static_cast<G4PenelopeComptonModel*> ( 166 static_cast<G4PenelopeComptonModel*> (masterModel);
166 167
167 //Same verbosity for all workers, as the 168 //Same verbosity for all workers, as the master
168 fVerboseLevel = theModel->fVerboseLevel; << 169 verboseLevel = theModel->verboseLevel;
169 } 170 }
>> 171
170 return; 172 return;
171 } 173 }
172 174
173 175
174 //....oooOO0OOooo........oooOO0OOooo........oo 176 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo....
175 177
176 G4double G4PenelopeComptonModel::CrossSectionP 178 G4double G4PenelopeComptonModel::CrossSectionPerVolume(const G4Material* material,
177 179 const G4ParticleDefinition* p,
178 180 G4double energy,
179 181 G4double,
180 182 G4double)
181 { 183 {
182 // Penelope model v2008 to calculate the Com 184 // Penelope model v2008 to calculate the Compton scattering cross section:
183 // D. Brusa et al., Nucl. Instrum. Meth. A 3 185 // D. Brusa et al., Nucl. Instrum. Meth. A 379 (1996) 167
184 // 186 //
185 // The cross section for Compton scattering 187 // The cross section for Compton scattering is calculated according to the Klein-Nishina
186 // formula for energy > 5 MeV. 188 // formula for energy > 5 MeV.
187 // For E < 5 MeV it is used a parametrizatio 189 // For E < 5 MeV it is used a parametrization for the differential cross-section dSigma/dOmega,
188 // which is integrated numerically in cos(th 190 // which is integrated numerically in cos(theta), G4PenelopeComptonModel::DifferentialCrossSection().
189 // The parametrization includes the J(p) 191 // The parametrization includes the J(p)
190 // distribution profiles for the atomic shel 192 // distribution profiles for the atomic shells, that are tabulated from Hartree-Fock calculations
191 // from F. Biggs et al., At. Data Nucl. Data 193 // from F. Biggs et al., At. Data Nucl. Data Tables 16 (1975) 201
192 // 194 //
193 if (fVerboseLevel > 3) << 195 if (verboseLevel > 3)
194 G4cout << "Calling CrossSectionPerVolume() 196 G4cout << "Calling CrossSectionPerVolume() of G4PenelopeComptonModel" << G4endl;
195 SetupForMaterial(p, material, energy); 197 SetupForMaterial(p, material, energy);
196 198
>> 199
197 G4double cs = 0; 200 G4double cs = 0;
198 //Force null cross-section if below the low- 201 //Force null cross-section if below the low-energy edge of the table
199 if (energy < LowEnergyLimit()) 202 if (energy < LowEnergyLimit())
200 return cs; 203 return cs;
201 204
202 //Retrieve the oscillator table for this mat 205 //Retrieve the oscillator table for this material
203 G4PenelopeOscillatorTable* theTable = fOscMa << 206 G4PenelopeOscillatorTable* theTable = oscManager->GetOscillatorTableCompton(material);
204 207
205 if (energy < 5*MeV) //explicit calculation f 208 if (energy < 5*MeV) //explicit calculation for E < 5 MeV
206 { 209 {
207 size_t numberOfOscillators = theTable->s 210 size_t numberOfOscillators = theTable->size();
208 for (size_t i=0;i<numberOfOscillators;i+ 211 for (size_t i=0;i<numberOfOscillators;i++)
209 { 212 {
210 G4PenelopeOscillator* theOsc = (*theTable) 213 G4PenelopeOscillator* theOsc = (*theTable)[i];
211 //sum contributions coming from each oscil 214 //sum contributions coming from each oscillator
212 cs += OscillatorTotalCrossSection(energy,t 215 cs += OscillatorTotalCrossSection(energy,theOsc);
213 } 216 }
214 } 217 }
215 else //use Klein-Nishina for E>5 MeV 218 else //use Klein-Nishina for E>5 MeV
216 cs = KleinNishinaCrossSection(energy,mater 219 cs = KleinNishinaCrossSection(energy,material);
217 220
218 //cross sections are in units of pi*classic_ 221 //cross sections are in units of pi*classic_electr_radius^2
219 cs *= pi*classic_electr_radius*classic_elect 222 cs *= pi*classic_electr_radius*classic_electr_radius;
220 223
221 //Now, cs is the cross section *per molecule 224 //Now, cs is the cross section *per molecule*, let's calculate the
222 //cross section per volume 225 //cross section per volume
>> 226
223 G4double atomDensity = material->GetTotNbOfA 227 G4double atomDensity = material->GetTotNbOfAtomsPerVolume();
224 G4double atPerMol = fOscManager->GetAtomsPe << 228 G4double atPerMol = oscManager->GetAtomsPerMolecule(material);
225 229
226 if (fVerboseLevel > 3) << 230 if (verboseLevel > 3)
227 G4cout << "Material " << material->GetName 231 G4cout << "Material " << material->GetName() << " has " << atPerMol <<
228 "atoms per molecule" << G4endl; 232 "atoms per molecule" << G4endl;
229 233
230 G4double moleculeDensity = 0.; 234 G4double moleculeDensity = 0.;
231 235
232 if (atPerMol) 236 if (atPerMol)
233 moleculeDensity = atomDensity/atPerMol; 237 moleculeDensity = atomDensity/atPerMol;
234 238
235 G4double csvolume = cs*moleculeDensity; 239 G4double csvolume = cs*moleculeDensity;
236 240
237 if (fVerboseLevel > 2) << 241 if (verboseLevel > 2)
238 G4cout << "Compton mean free path at " << 242 G4cout << "Compton mean free path at " << energy/keV << " keV for material " <<
239 material->GetName() << " = " << (1 243 material->GetName() << " = " << (1./csvolume)/mm << " mm" << G4endl;
240 return csvolume; 244 return csvolume;
241 } 245 }
242 246
243 //....oooOO0OOooo........oooOO0OOooo........oo 247 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo....
244 248
245 //This is a dummy method. Never inkoved by the 249 //This is a dummy method. Never inkoved by the tracking, it just issues
246 //a warning if one tries to get Cross Sections 250 //a warning if one tries to get Cross Sections per Atom via the
247 //G4EmCalculator. 251 //G4EmCalculator.
248 G4double G4PenelopeComptonModel::ComputeCrossS 252 G4double G4PenelopeComptonModel::ComputeCrossSectionPerAtom(const G4ParticleDefinition*,
249 253 G4double,
250 254 G4double,
251 255 G4double,
252 256 G4double,
253 257 G4double)
254 { 258 {
255 G4cout << "*** G4PenelopeComptonModel -- WAR 259 G4cout << "*** G4PenelopeComptonModel -- WARNING ***" << G4endl;
256 G4cout << "Penelope Compton model v2008 does 260 G4cout << "Penelope Compton model v2008 does not calculate cross section _per atom_ " << G4endl;
257 G4cout << "so the result is always zero. For 261 G4cout << "so the result is always zero. For physics values, please invoke " << G4endl;
258 G4cout << "GetCrossSectionPerVolume() or Get 262 G4cout << "GetCrossSectionPerVolume() or GetMeanFreePath() via the G4EmCalculator" << G4endl;
259 return 0; 263 return 0;
260 } 264 }
261 265
262 //....oooOO0OOooo........oooOO0OOooo........oo 266 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo....
263 267
264 void G4PenelopeComptonModel::SampleSecondaries 268 void G4PenelopeComptonModel::SampleSecondaries(std::vector<G4DynamicParticle*>* fvect,
265 const G4MaterialCutsCouple* c 269 const G4MaterialCutsCouple* couple,
266 const G4DynamicParticle* aDyna 270 const G4DynamicParticle* aDynamicGamma,
267 G4double, 271 G4double,
268 G4double) 272 G4double)
269 { 273 {
>> 274
270 // Penelope model v2008 to sample the Compto 275 // Penelope model v2008 to sample the Compton scattering final state.
271 // D. Brusa et al., Nucl. Instrum. Meth. A 3 276 // D. Brusa et al., Nucl. Instrum. Meth. A 379 (1996) 167
272 // The model determines also the original sh 277 // The model determines also the original shell from which the electron is expelled,
273 // in order to produce fluorescence de-excit 278 // in order to produce fluorescence de-excitation (from G4DeexcitationManager)
274 // 279 //
275 // The final state for Compton scattering is 280 // The final state for Compton scattering is calculated according to the Klein-Nishina
276 // formula for energy > 5 MeV. In this case, 281 // formula for energy > 5 MeV. In this case, the Doppler broadening is negligible and
277 // one can assume that the target electron i 282 // one can assume that the target electron is at rest.
278 // For E < 5 MeV it is used the parametrizat 283 // 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 284 // to sample the scattering angle and the energy of the emerging electron, which is
280 // G4PenelopeComptonModel::DifferentialCross 285 // G4PenelopeComptonModel::DifferentialCrossSection(). The rejection method is
281 // used to sample cos(theta). The efficiency 286 // used to sample cos(theta). The efficiency increases monotonically with photon energy and is
282 // nearly independent on the Z; typical valu 287 // nearly independent on the Z; typical values are 35%, 80% and 95% for 1 keV, 1 MeV and 10 MeV,
283 // respectively. 288 // respectively.
284 // The parametrization includes the J(p) dis 289 // The parametrization includes the J(p) distribution profiles for the atomic shells, that are
285 // tabulated 290 // tabulated
286 // from Hartree-Fock calculations from F. Bi 291 // from Hartree-Fock calculations from F. Biggs et al., At. Data Nucl. Data Tables 16 (1975) 201.
287 // Doppler broadening is included. 292 // Doppler broadening is included.
288 // 293 //
289 294
290 if (fVerboseLevel > 3) << 295 if (verboseLevel > 3)
291 G4cout << "Calling SampleSecondaries() of 296 G4cout << "Calling SampleSecondaries() of G4PenelopeComptonModel" << G4endl;
292 297
293 G4double photonEnergy0 = aDynamicGamma->GetK 298 G4double photonEnergy0 = aDynamicGamma->GetKineticEnergy();
294 299
295 // do nothing below the threshold 300 // do nothing below the threshold
296 // should never get here because the XS is z 301 // should never get here because the XS is zero below the limit
297 if(photonEnergy0 < LowEnergyLimit()) 302 if(photonEnergy0 < LowEnergyLimit())
298 return; 303 return;
299 304
300 G4ParticleMomentum photonDirection0 = aDynam 305 G4ParticleMomentum photonDirection0 = aDynamicGamma->GetMomentumDirection();
301 const G4Material* material = couple->GetMate 306 const G4Material* material = couple->GetMaterial();
302 307
303 G4PenelopeOscillatorTable* theTable = fOscMa << 308 G4PenelopeOscillatorTable* theTable = oscManager->GetOscillatorTableCompton(material);
304 309
305 const G4int nmax = 64; 310 const G4int nmax = 64;
306 G4double rn[nmax]={0.0}; 311 G4double rn[nmax]={0.0};
307 G4double pac[nmax]={0.0}; 312 G4double pac[nmax]={0.0};
308 313
309 G4double S=0.0; 314 G4double S=0.0;
310 G4double epsilon = 0.0; 315 G4double epsilon = 0.0;
311 G4double cosTheta = 1.0; 316 G4double cosTheta = 1.0;
312 G4double hartreeFunc = 0.0; 317 G4double hartreeFunc = 0.0;
313 G4double oscStren = 0.0; 318 G4double oscStren = 0.0;
314 size_t numberOfOscillators = theTable->size( 319 size_t numberOfOscillators = theTable->size();
315 size_t targetOscillator = 0; 320 size_t targetOscillator = 0;
316 G4double ionEnergy = 0.0*eV; 321 G4double ionEnergy = 0.0*eV;
317 322
318 G4double ek = photonEnergy0/electron_mass_c2 323 G4double ek = photonEnergy0/electron_mass_c2;
319 G4double ek2 = 2.*ek+1.0; 324 G4double ek2 = 2.*ek+1.0;
320 G4double eks = ek*ek; 325 G4double eks = ek*ek;
321 G4double ek1 = eks-ek2-1.0; 326 G4double ek1 = eks-ek2-1.0;
322 327
323 G4double taumin = 1.0/ek2; 328 G4double taumin = 1.0/ek2;
324 //This is meant to fix a possible (rare) flo << 329 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); 330 G4double a2 = a1+2.0*ek*(1.0+ek)/(ek2*ek2);
333 331
334 G4double TST = 0; 332 G4double TST = 0;
335 G4double tau = 0.; 333 G4double tau = 0.;
336 334
337 //If the incoming photon is above 5 MeV, the 335 //If the incoming photon is above 5 MeV, the quicker approach based on the
338 //pure Klein-Nishina formula is used 336 //pure Klein-Nishina formula is used
339 if (photonEnergy0 > 5*MeV) 337 if (photonEnergy0 > 5*MeV)
340 { 338 {
341 do{ 339 do{
342 do{ 340 do{
343 if ((a2*G4UniformRand()) < a1) 341 if ((a2*G4UniformRand()) < a1)
344 tau = std::pow(taumin,G4UniformRand()); 342 tau = std::pow(taumin,G4UniformRand());
345 else 343 else
346 tau = std::sqrt(1.0+G4UniformRand()*(tau 344 tau = std::sqrt(1.0+G4UniformRand()*(taumin*taumin-1.0));
347 //rejection function 345 //rejection function
348 TST = (1.0+tau*(ek1+tau*(ek2+tau*eks)))/(e 346 TST = (1.0+tau*(ek1+tau*(ek2+tau*eks)))/(eks*tau*(1.0+tau*tau));
349 }while (G4UniformRand()> TST); 347 }while (G4UniformRand()> TST);
350 if (tau > taumax) tau = taumax; //prevent FP <<
351 epsilon=tau; 348 epsilon=tau;
352 cosTheta = 1.0 - (1.0-tau)/(ek*tau); 349 cosTheta = 1.0 - (1.0-tau)/(ek*tau);
353 350
354 //Target shell electrons 351 //Target shell electrons
355 TST = fOscManager->GetTotalZ(material)*G4Uni << 352 TST = oscManager->GetTotalZ(material)*G4UniformRand();
356 targetOscillator = numberOfOscillators-1; // 353 targetOscillator = numberOfOscillators-1; //last level
357 S=0.0; 354 S=0.0;
358 G4bool levelFound = false; 355 G4bool levelFound = false;
359 for (size_t j=0;j<numberOfOscillators && !le 356 for (size_t j=0;j<numberOfOscillators && !levelFound; j++)
360 { 357 {
361 S += (*theTable)[j]->GetOscillatorStreng 358 S += (*theTable)[j]->GetOscillatorStrength();
362 if (S > TST) 359 if (S > TST)
363 { 360 {
364 targetOscillator = j; 361 targetOscillator = j;
365 levelFound = true; 362 levelFound = true;
366 } 363 }
367 } 364 }
368 //check whether the level is valid 365 //check whether the level is valid
369 ionEnergy = (*theTable)[targetOscillator]->G 366 ionEnergy = (*theTable)[targetOscillator]->GetIonisationEnergy();
370 }while((epsilon*photonEnergy0-photonEner 367 }while((epsilon*photonEnergy0-photonEnergy0+ionEnergy) >0);
371 } 368 }
372 else //photonEnergy0 < 5 MeV 369 else //photonEnergy0 < 5 MeV
373 { 370 {
374 //Incoherent scattering function for the 371 //Incoherent scattering function for theta=PI
375 G4double s0=0.0; 372 G4double s0=0.0;
376 G4double pzomc=0.0; 373 G4double pzomc=0.0;
377 G4double rni=0.0; 374 G4double rni=0.0;
378 G4double aux=0.0; 375 G4double aux=0.0;
379 for (size_t i=0;i<numberOfOscillators;i+ 376 for (size_t i=0;i<numberOfOscillators;i++)
380 { 377 {
381 ionEnergy = (*theTable)[i]->GetIonisationE 378 ionEnergy = (*theTable)[i]->GetIonisationEnergy();
382 if (photonEnergy0 > ionEnergy) 379 if (photonEnergy0 > ionEnergy)
383 { 380 {
384 G4double aux2 = photonEnergy0*(photonE 381 G4double aux2 = photonEnergy0*(photonEnergy0-ionEnergy)*2.0;
385 hartreeFunc = (*theTable)[i]->GetHartr 382 hartreeFunc = (*theTable)[i]->GetHartreeFactor();
386 oscStren = (*theTable)[i]->GetOscillat 383 oscStren = (*theTable)[i]->GetOscillatorStrength();
387 pzomc = hartreeFunc*(aux2-electron_mas 384 pzomc = hartreeFunc*(aux2-electron_mass_c2*ionEnergy)/
388 (electron_mass_c2*std::sqrt(2.0*aux2+ionEn 385 (electron_mass_c2*std::sqrt(2.0*aux2+ionEnergy*ionEnergy));
389 if (pzomc > 0) 386 if (pzomc > 0)
390 rni = 1.0-0.5*G4Exp(0.5-(std::sqrt(0.5)+st 387 rni = 1.0-0.5*G4Exp(0.5-(std::sqrt(0.5)+std::sqrt(2.0)*pzomc)*
391 (std::sqrt(0.5)+std::sqrt(2.0)* 388 (std::sqrt(0.5)+std::sqrt(2.0)*pzomc));
392 else 389 else
393 rni = 0.5*G4Exp(0.5-(std::sqrt(0.5)-std::s 390 rni = 0.5*G4Exp(0.5-(std::sqrt(0.5)-std::sqrt(2.0)*pzomc)*
394 (std::sqrt(0.5)-std::sqrt(2.0)*pzom 391 (std::sqrt(0.5)-std::sqrt(2.0)*pzomc));
395 s0 += oscStren*rni; 392 s0 += oscStren*rni;
396 } 393 }
397 } 394 }
398 //Sampling tau 395 //Sampling tau
399 G4double cdt1 = 0.; 396 G4double cdt1 = 0.;
400 do 397 do
401 { 398 {
402 if ((G4UniformRand()*a2) < a1) 399 if ((G4UniformRand()*a2) < a1)
403 tau = std::pow(taumin,G4UniformRand()); 400 tau = std::pow(taumin,G4UniformRand());
404 else 401 else
405 tau = std::sqrt(1.0+G4UniformRand()*(tau 402 tau = std::sqrt(1.0+G4UniformRand()*(taumin*taumin-1.0));
406 if (tau > taumax) tau = taumax; //prevent <<
407 cdt1 = (1.0-tau)/(ek*tau); 403 cdt1 = (1.0-tau)/(ek*tau);
408 //Incoherent scattering function 404 //Incoherent scattering function
409 S = 0.; 405 S = 0.;
410 for (size_t i=0;i<numberOfOscillators;i++) 406 for (size_t i=0;i<numberOfOscillators;i++)
411 { 407 {
412 ionEnergy = (*theTable)[i]->GetIonisat 408 ionEnergy = (*theTable)[i]->GetIonisationEnergy();
413 if (photonEnergy0 > ionEnergy) //sum o 409 if (photonEnergy0 > ionEnergy) //sum only on excitable levels
414 { 410 {
415 aux = photonEnergy0*(photonEnergy0-ionEn 411 aux = photonEnergy0*(photonEnergy0-ionEnergy)*cdt1;
416 hartreeFunc = (*theTable)[i]->GetHartree 412 hartreeFunc = (*theTable)[i]->GetHartreeFactor();
417 oscStren = (*theTable)[i]->GetOscillator 413 oscStren = (*theTable)[i]->GetOscillatorStrength();
418 pzomc = hartreeFunc*(aux-electron_mass_c 414 pzomc = hartreeFunc*(aux-electron_mass_c2*ionEnergy)/
419 (electron_mass_c2*std::sqrt(2.0*aux+io 415 (electron_mass_c2*std::sqrt(2.0*aux+ionEnergy*ionEnergy));
420 if (pzomc > 0) 416 if (pzomc > 0)
421 rn[i] = 1.0-0.5*G4Exp(0.5-(std::sqrt(0 417 rn[i] = 1.0-0.5*G4Exp(0.5-(std::sqrt(0.5)+std::sqrt(2.0)*pzomc)*
422 (std::sqrt(0.5)+std::sqrt(2.0)* 418 (std::sqrt(0.5)+std::sqrt(2.0)*pzomc));
423 else 419 else
424 rn[i] = 0.5*G4Exp(0.5-(std::sqrt(0.5)- 420 rn[i] = 0.5*G4Exp(0.5-(std::sqrt(0.5)-std::sqrt(2.0)*pzomc)*
425 (std::sqrt(0.5)-std::sqrt(2.0)*pzom 421 (std::sqrt(0.5)-std::sqrt(2.0)*pzomc));
426 S += oscStren*rn[i]; 422 S += oscStren*rn[i];
427 pac[i] = S; 423 pac[i] = S;
428 } 424 }
429 else 425 else
430 pac[i] = S-1e-6; 426 pac[i] = S-1e-6;
431 } 427 }
432 //Rejection function 428 //Rejection function
433 TST = S*(1.0+tau*(ek1+tau*(ek2+tau*eks)))/ 429 TST = S*(1.0+tau*(ek1+tau*(ek2+tau*eks)))/(eks*tau*(1.0+tau*tau));
434 }while ((G4UniformRand()*s0) > TST); 430 }while ((G4UniformRand()*s0) > TST);
435 431
436 cosTheta = 1.0 - cdt1; 432 cosTheta = 1.0 - cdt1;
437 G4double fpzmax=0.0,fpz=0.0; 433 G4double fpzmax=0.0,fpz=0.0;
438 G4double A=0.0; 434 G4double A=0.0;
439 //Target electron shell 435 //Target electron shell
440 do 436 do
441 { 437 {
442 do 438 do
443 { 439 {
444 TST = S*G4UniformRand(); 440 TST = S*G4UniformRand();
445 targetOscillator = numberOfOscillators 441 targetOscillator = numberOfOscillators-1; //last level
446 G4bool levelFound = false; 442 G4bool levelFound = false;
447 for (size_t i=0;i<numberOfOscillators 443 for (size_t i=0;i<numberOfOscillators && !levelFound;i++)
448 { 444 {
449 if (pac[i]>TST) 445 if (pac[i]>TST)
450 { 446 {
451 targetOscillator = i; 447 targetOscillator = i;
452 levelFound = true; 448 levelFound = true;
453 } 449 }
454 } 450 }
455 A = G4UniformRand()*rn[targetOscillato 451 A = G4UniformRand()*rn[targetOscillator];
456 hartreeFunc = (*theTable)[targetOscill 452 hartreeFunc = (*theTable)[targetOscillator]->GetHartreeFactor();
457 oscStren = (*theTable)[targetOscillato 453 oscStren = (*theTable)[targetOscillator]->GetOscillatorStrength();
458 if (A < 0.5) 454 if (A < 0.5)
459 pzomc = (std::sqrt(0.5)-std::sqrt(0.5-G4Lo << 455 pzomc = (std::sqrt(0.5)-std::sqrt(0.5-std::log(2.0*A)))/
460 (std::sqrt(2.0)*hartreeFunc); 456 (std::sqrt(2.0)*hartreeFunc);
461 else 457 else
462 pzomc = (std::sqrt(0.5-G4Log(2.0-2.0*A))-s << 458 pzomc = (std::sqrt(0.5-std::log(2.0-2.0*A))-std::sqrt(0.5))/
463 (std::sqrt(2.0)*hartreeFunc); 459 (std::sqrt(2.0)*hartreeFunc);
464 } while (pzomc < -1); 460 } while (pzomc < -1);
465 461
466 // F(EP) rejection 462 // F(EP) rejection
467 G4double XQC = 1.0+tau*(tau-2.0*cosTheta); 463 G4double XQC = 1.0+tau*(tau-2.0*cosTheta);
468 G4double AF = std::sqrt(XQC)*(1.0+tau*(tau 464 G4double AF = std::sqrt(XQC)*(1.0+tau*(tau-cosTheta)/XQC);
469 if (AF > 0) 465 if (AF > 0)
470 fpzmax = 1.0+AF*0.2; 466 fpzmax = 1.0+AF*0.2;
471 else 467 else
472 fpzmax = 1.0-AF*0.2; 468 fpzmax = 1.0-AF*0.2;
473 fpz = 1.0+AF*std::max(std::min(pzomc,0.2), 469 fpz = 1.0+AF*std::max(std::min(pzomc,0.2),-0.2);
474 }while ((fpzmax*G4UniformRand())>fpz); 470 }while ((fpzmax*G4UniformRand())>fpz);
475 471
476 //Energy of the scattered photon 472 //Energy of the scattered photon
477 G4double T = pzomc*pzomc; 473 G4double T = pzomc*pzomc;
478 G4double b1 = 1.0-T*tau*tau; 474 G4double b1 = 1.0-T*tau*tau;
479 G4double b2 = 1.0-T*tau*cosTheta; 475 G4double b2 = 1.0-T*tau*cosTheta;
480 if (pzomc > 0.0) 476 if (pzomc > 0.0)
481 epsilon = (tau/b1)*(b2+std::sqrt(std::abs(b2 477 epsilon = (tau/b1)*(b2+std::sqrt(std::abs(b2*b2-b1*(1.0-T))));
482 else 478 else
483 epsilon = (tau/b1)*(b2-std::sqrt(std::abs(b2 479 epsilon = (tau/b1)*(b2-std::sqrt(std::abs(b2*b2-b1*(1.0-T))));
484 } //energy < 5 MeV 480 } //energy < 5 MeV
485 481
486 //Ok, the kinematics has been calculated. 482 //Ok, the kinematics has been calculated.
487 G4double sinTheta = std::sqrt(1-cosTheta*cos 483 G4double sinTheta = std::sqrt(1-cosTheta*cosTheta);
488 G4double phi = twopi * G4UniformRand() ; 484 G4double phi = twopi * G4UniformRand() ;
489 G4double dirx = sinTheta * std::cos(phi); 485 G4double dirx = sinTheta * std::cos(phi);
490 G4double diry = sinTheta * std::sin(phi); 486 G4double diry = sinTheta * std::sin(phi);
491 G4double dirz = cosTheta ; 487 G4double dirz = cosTheta ;
492 488
493 // Update G4VParticleChange for the scattere 489 // Update G4VParticleChange for the scattered photon
494 G4ThreeVector photonDirection1(dirx,diry,dir 490 G4ThreeVector photonDirection1(dirx,diry,dirz);
495 photonDirection1.rotateUz(photonDirection0); 491 photonDirection1.rotateUz(photonDirection0);
496 fParticleChange->ProposeMomentumDirection(ph 492 fParticleChange->ProposeMomentumDirection(photonDirection1) ;
497 493
498 G4double photonEnergy1 = epsilon * photonEne 494 G4double photonEnergy1 = epsilon * photonEnergy0;
499 495
500 if (photonEnergy1 > 0.) 496 if (photonEnergy1 > 0.)
501 fParticleChange->SetProposedKineticEnergy( 497 fParticleChange->SetProposedKineticEnergy(photonEnergy1) ;
502 else 498 else
503 { 499 {
504 fParticleChange->SetProposedKineticEnergy( 500 fParticleChange->SetProposedKineticEnergy(0.) ;
505 fParticleChange->ProposeTrackStatus(fStopA 501 fParticleChange->ProposeTrackStatus(fStopAndKill);
506 } 502 }
507 503
508 //Create scattered electron 504 //Create scattered electron
509 G4double diffEnergy = photonEnergy0*(1-epsil 505 G4double diffEnergy = photonEnergy0*(1-epsilon);
510 ionEnergy = (*theTable)[targetOscillator]->G 506 ionEnergy = (*theTable)[targetOscillator]->GetIonisationEnergy();
511 507
512 G4double Q2 = 508 G4double Q2 =
513 photonEnergy0*photonEnergy0+photonEnergy1* 509 photonEnergy0*photonEnergy0+photonEnergy1*(photonEnergy1-2.0*photonEnergy0*cosTheta);
514 G4double cosThetaE = 0.; //scattering angle 510 G4double cosThetaE = 0.; //scattering angle for the electron
515 511
516 if (Q2 > 1.0e-12) 512 if (Q2 > 1.0e-12)
517 cosThetaE = (photonEnergy0-photonEnergy1*c 513 cosThetaE = (photonEnergy0-photonEnergy1*cosTheta)/std::sqrt(Q2);
518 else 514 else
519 cosThetaE = 1.0; 515 cosThetaE = 1.0;
520 G4double sinThetaE = std::sqrt(1-cosThetaE*c 516 G4double sinThetaE = std::sqrt(1-cosThetaE*cosThetaE);
521 517
522 //Now, try to handle fluorescence 518 //Now, try to handle fluorescence
523 //Notice: merged levels are indicated with Z 519 //Notice: merged levels are indicated with Z=0 and flag=30
524 G4int shFlag = (*theTable)[targetOscillator] 520 G4int shFlag = (*theTable)[targetOscillator]->GetShellFlag();
525 G4int Z = (G4int) (*theTable)[targetOscillat 521 G4int Z = (G4int) (*theTable)[targetOscillator]->GetParentZ();
526 522
527 //initialize here, then check photons create 523 //initialize here, then check photons created by Atomic-Deexcitation, and the final state e-
528 G4double bindingEnergy = 0.*eV; 524 G4double bindingEnergy = 0.*eV;
529 const G4AtomicShell* shell = 0; 525 const G4AtomicShell* shell = 0;
530 526
531 //Real level 527 //Real level
532 if (Z > 0 && shFlag<30) 528 if (Z > 0 && shFlag<30)
533 { 529 {
534 shell = fTransitionManager->Shell(Z,shFl 530 shell = fTransitionManager->Shell(Z,shFlag-1);
535 bindingEnergy = shell->BindingEnergy(); 531 bindingEnergy = shell->BindingEnergy();
536 } 532 }
537 533
538 G4double ionEnergyInPenelopeDatabase = ionEn 534 G4double ionEnergyInPenelopeDatabase = ionEnergy;
539 //protection against energy non-conservation 535 //protection against energy non-conservation
540 ionEnergy = std::max(bindingEnergy,ionEnergy 536 ionEnergy = std::max(bindingEnergy,ionEnergyInPenelopeDatabase);
541 537
542 //subtract the excitation energy. If not emi 538 //subtract the excitation energy. If not emitted by fluorescence
543 //the ionization energy is deposited as loca 539 //the ionization energy is deposited as local energy deposition
544 G4double eKineticEnergy = diffEnergy - ionEn 540 G4double eKineticEnergy = diffEnergy - ionEnergy;
545 G4double localEnergyDeposit = ionEnergy; 541 G4double localEnergyDeposit = ionEnergy;
546 G4double energyInFluorescence = 0.; //testin 542 G4double energyInFluorescence = 0.; //testing purposes only
547 G4double energyInAuger = 0; //testing purpos 543 G4double energyInAuger = 0; //testing purposes
548 544
549 if (eKineticEnergy < 0) 545 if (eKineticEnergy < 0)
550 { 546 {
551 //It means that there was some problem/m 547 //It means that there was some problem/mismatch between the two databases.
552 //Try to make it work 548 //Try to make it work
553 //In this case available Energy (diffEne 549 //In this case available Energy (diffEnergy) < ionEnergy
554 //Full residual energy is deposited loca 550 //Full residual energy is deposited locally
555 localEnergyDeposit = diffEnergy; 551 localEnergyDeposit = diffEnergy;
556 eKineticEnergy = 0.0; 552 eKineticEnergy = 0.0;
557 } 553 }
558 554
559 //the local energy deposit is what remains: 555 //the local energy deposit is what remains: part of this may be spent for fluorescence.
560 //Notice: shell might be nullptr (invalid!) 556 //Notice: shell might be nullptr (invalid!) if shFlag=30. Must be protected
561 //Now, take care of fluorescence, if require 557 //Now, take care of fluorescence, if required
562 if (fAtomDeexcitation && shell) 558 if (fAtomDeexcitation && shell)
563 { 559 {
564 G4int index = couple->GetIndex(); 560 G4int index = couple->GetIndex();
565 if (fAtomDeexcitation->CheckDeexcitation 561 if (fAtomDeexcitation->CheckDeexcitationActiveRegion(index))
566 { 562 {
567 size_t nBefore = fvect->size(); 563 size_t nBefore = fvect->size();
568 fAtomDeexcitation->GenerateParticles(fvect 564 fAtomDeexcitation->GenerateParticles(fvect,shell,Z,index);
569 size_t nAfter = fvect->size(); 565 size_t nAfter = fvect->size();
570 566
571 if (nAfter > nBefore) //actual production 567 if (nAfter > nBefore) //actual production of fluorescence
572 { 568 {
573 for (size_t j=nBefore;j<nAfter;j++) // 569 for (size_t j=nBefore;j<nAfter;j++) //loop on products
574 { 570 {
575 G4double itsEnergy = ((*fvect)[j])->GetK 571 G4double itsEnergy = ((*fvect)[j])->GetKineticEnergy();
576 if (itsEnergy < localEnergyDeposit) // v 572 if (itsEnergy < localEnergyDeposit) // valid secondary, generate it
577 { 573 {
578 localEnergyDeposit -= itsEnergy; 574 localEnergyDeposit -= itsEnergy;
579 if (((*fvect)[j])->GetParticleDefini 575 if (((*fvect)[j])->GetParticleDefinition() == G4Gamma::Definition())
580 energyInFluorescence += itsEnergy; 576 energyInFluorescence += itsEnergy;
581 else if (((*fvect)[j])->GetParticleD 577 else if (((*fvect)[j])->GetParticleDefinition() ==
582 G4Electron::Definition()) 578 G4Electron::Definition())
583 energyInAuger += itsEnergy; 579 energyInAuger += itsEnergy;
584 } 580 }
585 else //invalid secondary: takes more tha 581 else //invalid secondary: takes more than the available energy: delete it
586 { 582 {
587 delete (*fvect)[j]; 583 delete (*fvect)[j];
588 (*fvect)[j] = nullptr; 584 (*fvect)[j] = nullptr;
589 } 585 }
590 } 586 }
591 } 587 }
592 588
593 } 589 }
594 } 590 }
595 591
596 //Always produce explicitly the electron << 592
>> 593 /*
>> 594 if(DeexcitationFlag() && Z > 5 && shellId>0) {
>> 595
>> 596 const G4ProductionCutsTable* theCoupleTable=
>> 597 G4ProductionCutsTable::GetProductionCutsTable();
>> 598
>> 599 size_t index = couple->GetIndex();
>> 600 G4double cutg = (*(theCoupleTable->GetEnergyCutsVector(0)))[index];
>> 601 G4double cute = (*(theCoupleTable->GetEnergyCutsVector(1)))[index];
>> 602
>> 603 // Generation of fluorescence
>> 604 // Data in EADL are available only for Z > 5
>> 605 // Protection to avoid generating photons in the unphysical case of
>> 606 // shell binding energy > photon energy
>> 607 if (localEnergyDeposit > cutg || localEnergyDeposit > cute)
>> 608 {
>> 609 G4DynamicParticle* aPhoton;
>> 610 deexcitationManager.SetCutForSecondaryPhotons(cutg);
>> 611 deexcitationManager.SetCutForAugerElectrons(cute);
>> 612
>> 613 photonVector = deexcitationManager.GenerateParticles(Z,shellId);
>> 614 if(photonVector)
>> 615 {
>> 616 size_t nPhotons = photonVector->size();
>> 617 for (size_t k=0; k<nPhotons; k++)
>> 618 {
>> 619 aPhoton = (*photonVector)[k];
>> 620 if (aPhoton)
>> 621 {
>> 622 G4double itsEnergy = aPhoton->GetKineticEnergy();
>> 623 G4bool keepIt = false;
>> 624 if (itsEnergy <= localEnergyDeposit)
>> 625 {
>> 626 //check if good!
>> 627 if(aPhoton->GetDefinition() == G4Gamma::Gamma()
>> 628 && itsEnergy >= cutg)
>> 629 {
>> 630 keepIt = true;
>> 631 energyInFluorescence += itsEnergy;
>> 632 }
>> 633 if (aPhoton->GetDefinition() == G4Electron::Electron() &&
>> 634 itsEnergy >= cute)
>> 635 {
>> 636 energyInAuger += itsEnergy;
>> 637 keepIt = true;
>> 638 }
>> 639 }
>> 640 //good secondary, register it
>> 641 if (keepIt)
>> 642 {
>> 643 localEnergyDeposit -= itsEnergy;
>> 644 fvect->push_back(aPhoton);
>> 645 }
>> 646 else
>> 647 {
>> 648 delete aPhoton;
>> 649 (*photonVector)[k] = 0;
>> 650 }
>> 651 }
>> 652 }
>> 653 delete photonVector;
>> 654 }
>> 655 }
>> 656 }
>> 657 */
>> 658
>> 659
>> 660 //Always produce explicitely the electron
597 G4DynamicParticle* electron = 0; 661 G4DynamicParticle* electron = 0;
598 662
599 G4double xEl = sinThetaE * std::cos(phi+pi); 663 G4double xEl = sinThetaE * std::cos(phi+pi);
600 G4double yEl = sinThetaE * std::sin(phi+pi); 664 G4double yEl = sinThetaE * std::sin(phi+pi);
601 G4double zEl = cosThetaE; 665 G4double zEl = cosThetaE;
602 G4ThreeVector eDirection(xEl,yEl,zEl); //ele 666 G4ThreeVector eDirection(xEl,yEl,zEl); //electron direction
603 eDirection.rotateUz(photonDirection0); 667 eDirection.rotateUz(photonDirection0);
604 electron = new G4DynamicParticle (G4Electron 668 electron = new G4DynamicParticle (G4Electron::Electron(),
605 eDirection,eKineticEnergy) ; 669 eDirection,eKineticEnergy) ;
606 fvect->push_back(electron); 670 fvect->push_back(electron);
607 671
>> 672
608 if (localEnergyDeposit < 0) //Should not be: 673 if (localEnergyDeposit < 0) //Should not be: issue a G4Exception (warning)
609 { 674 {
610 G4Exception("G4PenelopeComptonModel::Sam 675 G4Exception("G4PenelopeComptonModel::SampleSecondaries()",
611 "em2099",JustWarning,"WARNING: Negative 676 "em2099",JustWarning,"WARNING: Negative local energy deposit");
612 localEnergyDeposit=0.; 677 localEnergyDeposit=0.;
613 } 678 }
614 fParticleChange->ProposeLocalEnergyDeposit(l 679 fParticleChange->ProposeLocalEnergyDeposit(localEnergyDeposit);
615 680
616 G4double electronEnergy = 0.; 681 G4double electronEnergy = 0.;
617 if (electron) 682 if (electron)
618 electronEnergy = eKineticEnergy; 683 electronEnergy = eKineticEnergy;
619 if (fVerboseLevel > 1) << 684 if (verboseLevel > 1)
620 { 685 {
621 G4cout << "----------------------------- 686 G4cout << "-----------------------------------------------------------" << G4endl;
622 G4cout << "Energy balance from G4Penelop 687 G4cout << "Energy balance from G4PenelopeCompton" << G4endl;
623 G4cout << "Incoming photon energy: " << 688 G4cout << "Incoming photon energy: " << photonEnergy0/keV << " keV" << G4endl;
624 G4cout << "----------------------------- 689 G4cout << "-----------------------------------------------------------" << G4endl;
625 G4cout << "Scattered photon: " << photon 690 G4cout << "Scattered photon: " << photonEnergy1/keV << " keV" << G4endl;
626 G4cout << "Scattered electron " << elect 691 G4cout << "Scattered electron " << electronEnergy/keV << " keV" << G4endl;
627 if (energyInFluorescence) 692 if (energyInFluorescence)
628 G4cout << "Fluorescence x-rays: " << energyI 693 G4cout << "Fluorescence x-rays: " << energyInFluorescence/keV << " keV" << G4endl;
629 if (energyInAuger) 694 if (energyInAuger)
630 G4cout << "Auger electrons: " << energyInAug 695 G4cout << "Auger electrons: " << energyInAuger/keV << " keV" << G4endl;
631 G4cout << "Local energy deposit " << loc 696 G4cout << "Local energy deposit " << localEnergyDeposit/keV << " keV" << G4endl;
632 G4cout << "Total final state: " << (phot 697 G4cout << "Total final state: " << (photonEnergy1+electronEnergy+energyInFluorescence+
633 localEnergyDeposit+energyInAuger)/ 698 localEnergyDeposit+energyInAuger)/keV <<
634 " keV" << G4endl; 699 " keV" << G4endl;
635 G4cout << "----------------------------- 700 G4cout << "-----------------------------------------------------------" << G4endl;
636 } 701 }
637 if (fVerboseLevel > 0) << 702 if (verboseLevel > 0)
638 { 703 {
639 G4double energyDiff = std::fabs(photonEn 704 G4double energyDiff = std::fabs(photonEnergy1+
640 electronEnergy+energyInFluoresce 705 electronEnergy+energyInFluorescence+
641 localEnergyDeposit+energyInAuger 706 localEnergyDeposit+energyInAuger-photonEnergy0);
642 if (energyDiff > 0.05*keV) 707 if (energyDiff > 0.05*keV)
643 G4cout << "Warning from G4PenelopeCompton: p 708 G4cout << "Warning from G4PenelopeCompton: problem with energy conservation: " <<
644 (photonEnergy1+electronEnergy+energyInFluo 709 (photonEnergy1+electronEnergy+energyInFluorescence+energyInAuger+localEnergyDeposit)/keV <<
645 " keV (final) vs. " << 710 " keV (final) vs. " <<
646 photonEnergy0/keV << " keV (initial)" << G 711 photonEnergy0/keV << " keV (initial)" << G4endl;
647 } 712 }
648 } 713 }
649 714
650 //....oooOO0OOooo........oooOO0OOooo........oo 715 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo....
651 716
652 G4double G4PenelopeComptonModel::DifferentialC 717 G4double G4PenelopeComptonModel::DifferentialCrossSection(G4double cosTheta,G4double energy,
653 G4PenelopeOscillator* osc) 718 G4PenelopeOscillator* osc)
654 { 719 {
655 // 720 //
656 // Penelope model v2008. Single differential 721 // Penelope model v2008. Single differential cross section *per electron*
657 // for photon Compton scattering by 722 // for photon Compton scattering by
658 // electrons in the given atomic oscillator, 723 // electrons in the given atomic oscillator, differential in the direction of the
659 // scattering photon. This is in units of pi 724 // scattering photon. This is in units of pi*classic_electr_radius**2
660 // 725 //
661 // D. Brusa et al., Nucl. Instrum. Meth. A 3 726 // D. Brusa et al., Nucl. Instrum. Meth. A 379 (1996) 167
662 // The parametrization includes the J(p) dis 727 // The parametrization includes the J(p) distribution profiles for the atomic shells,
663 // that are tabulated from Hartree-Fock calc 728 // that are tabulated from Hartree-Fock calculations
664 // from F. Biggs et al., At. Data Nucl. Data 729 // from F. Biggs et al., At. Data Nucl. Data Tables 16 (1975) 201
665 // 730 //
666 G4double ionEnergy = osc->GetIonisationEnerg 731 G4double ionEnergy = osc->GetIonisationEnergy();
667 G4double harFunc = osc->GetHartreeFactor(); 732 G4double harFunc = osc->GetHartreeFactor();
668 733
669 static const G4double k2 = std::sqrt(2.); 734 static const G4double k2 = std::sqrt(2.);
670 static const G4double k1 = 1./k2; 735 static const G4double k1 = 1./k2;
671 736
672 if (energy < ionEnergy) 737 if (energy < ionEnergy)
673 return 0; 738 return 0;
674 739
675 //energy of the Compton line 740 //energy of the Compton line
676 G4double cdt1 = 1.0-cosTheta; 741 G4double cdt1 = 1.0-cosTheta;
677 G4double EOEC = 1.0+(energy/electron_mass_c2 742 G4double EOEC = 1.0+(energy/electron_mass_c2)*cdt1;
678 G4double ECOE = 1.0/EOEC; 743 G4double ECOE = 1.0/EOEC;
679 744
680 //Incoherent scattering function (analytical 745 //Incoherent scattering function (analytical profile)
681 G4double aux = energy*(energy-ionEnergy)*cdt 746 G4double aux = energy*(energy-ionEnergy)*cdt1;
682 G4double Pzimax = 747 G4double Pzimax =
683 (aux - electron_mass_c2*ionEnergy)/(electr 748 (aux - electron_mass_c2*ionEnergy)/(electron_mass_c2*std::sqrt(2*aux+ionEnergy*ionEnergy));
684 G4double sia = 0.0; 749 G4double sia = 0.0;
685 G4double x = harFunc*Pzimax; 750 G4double x = harFunc*Pzimax;
686 if (x > 0) 751 if (x > 0)
687 sia = 1.0-0.5*G4Exp(0.5-(k1+k2*x)*(k1+k2*x 752 sia = 1.0-0.5*G4Exp(0.5-(k1+k2*x)*(k1+k2*x));
688 else 753 else
689 sia = 0.5*G4Exp(0.5-(k1-k2*x)*(k1-k2*x)); 754 sia = 0.5*G4Exp(0.5-(k1-k2*x)*(k1-k2*x));
690 755
691 //1st order correction, integral of Pz times 756 //1st order correction, integral of Pz times the Compton profile.
692 //Calculated approximately using a free-elec 757 //Calculated approximately using a free-electron gas profile
693 G4double pf = 3.0/(4.0*harFunc); 758 G4double pf = 3.0/(4.0*harFunc);
694 if (std::fabs(Pzimax) < pf) 759 if (std::fabs(Pzimax) < pf)
695 { 760 {
696 G4double QCOE2 = 1.0+ECOE*ECOE-2.0*ECOE* 761 G4double QCOE2 = 1.0+ECOE*ECOE-2.0*ECOE*cosTheta;
697 G4double p2 = Pzimax*Pzimax; 762 G4double p2 = Pzimax*Pzimax;
698 G4double dspz = std::sqrt(QCOE2)* 763 G4double dspz = std::sqrt(QCOE2)*
699 (1.0+ECOE*(ECOE-cosTheta)/QCOE2)*harFunc 764 (1.0+ECOE*(ECOE-cosTheta)/QCOE2)*harFunc
700 *0.25*(2*p2-(p2*p2)/(pf*pf)-(pf*pf)); 765 *0.25*(2*p2-(p2*p2)/(pf*pf)-(pf*pf));
701 sia += std::max(dspz,-1.0*sia); 766 sia += std::max(dspz,-1.0*sia);
702 } 767 }
703 768
704 G4double XKN = EOEC+ECOE-1.0+cosTheta*cosThe 769 G4double XKN = EOEC+ECOE-1.0+cosTheta*cosTheta;
705 770
706 //Differential cross section (per electron, 771 //Differential cross section (per electron, in units of pi*classic_electr_radius**2)
707 G4double diffCS = ECOE*ECOE*XKN*sia; 772 G4double diffCS = ECOE*ECOE*XKN*sia;
708 773
709 return diffCS; 774 return diffCS;
710 } 775 }
711 776
712 //....oooOO0OOooo........oooOO0OOooo........oo 777 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo....
713 778
714 G4double G4PenelopeComptonModel::OscillatorTot 779 G4double G4PenelopeComptonModel::OscillatorTotalCrossSection(G4double energy,G4PenelopeOscillator* osc)
715 { 780 {
716 //Total cross section (integrated) for the g 781 //Total cross section (integrated) for the given oscillator in units of
717 //pi*classic_electr_radius^2 782 //pi*classic_electr_radius^2
718 783
719 //Integrate differential cross section for e 784 //Integrate differential cross section for each oscillator
720 G4double stre = osc->GetOscillatorStrength() 785 G4double stre = osc->GetOscillatorStrength();
721 786
722 // here one uses the using the 20-point 787 // here one uses the using the 20-point
723 // Gauss quadrature method with an adaptive 788 // Gauss quadrature method with an adaptive bipartition scheme
724 const G4int npoints=10; 789 const G4int npoints=10;
725 const G4int ncallsmax=20000; 790 const G4int ncallsmax=20000;
726 const G4int nst=256; 791 const G4int nst=256;
727 static const G4double Abscissas[10] = {7.652 792 static const G4double Abscissas[10] = {7.652651133497334e-02,2.2778585114164508e-01,3.7370608871541956e-01,
728 5.1086700195082710e-01,6.36053680726 793 5.1086700195082710e-01,6.3605368072651503e-01,7.4633190646015079e-01,
729 8.3911697182221882e-01,9.12234428251 794 8.3911697182221882e-01,9.1223442825132591e-01,9.6397192727791379e-01,
730 9.9312859918509492e-01}; 795 9.9312859918509492e-01};
731 static const G4double Weights[10] = {1.52753 796 static const G4double Weights[10] = {1.5275338713072585e-01,1.4917298647260375e-01,1.4209610931838205e-01,
732 1.3168863844917663e-01,1.1819453196151 797 1.3168863844917663e-01,1.1819453196151842e-01,1.0193011981724044e-01,
733 8.3276741576704749e-02,6.2672048334109 798 8.3276741576704749e-02,6.2672048334109064e-02,4.0601429800386941e-02,
734 1.7614007139152118e-02}; 799 1.7614007139152118e-02};
735 800
736 G4double MaxError = 1e-5; 801 G4double MaxError = 1e-5;
737 //Error control 802 //Error control
738 G4double Ctol = std::min(std::max(MaxError,1 803 G4double Ctol = std::min(std::max(MaxError,1e-13),1e-02);
739 G4double Ptol = 0.01*Ctol; 804 G4double Ptol = 0.01*Ctol;
740 G4double Err=1e35; 805 G4double Err=1e35;
741 806
742 //Gauss integration from -1 to 1 807 //Gauss integration from -1 to 1
743 G4double LowPoint = -1.0; 808 G4double LowPoint = -1.0;
744 G4double HighPoint = 1.0; 809 G4double HighPoint = 1.0;
745 810
746 G4double h=HighPoint-LowPoint; 811 G4double h=HighPoint-LowPoint;
747 G4double sumga=0.0; 812 G4double sumga=0.0;
748 G4double a=0.5*(HighPoint-LowPoint); 813 G4double a=0.5*(HighPoint-LowPoint);
749 G4double b=0.5*(HighPoint+LowPoint); 814 G4double b=0.5*(HighPoint+LowPoint);
750 G4double c=a*Abscissas[0]; 815 G4double c=a*Abscissas[0];
751 G4double d= Weights[0]* 816 G4double d= Weights[0]*
752 (DifferentialCrossSection(b+c,energy,osc)+ 817 (DifferentialCrossSection(b+c,energy,osc)+DifferentialCrossSection(b-c,energy,osc));
753 for (G4int i=2;i<=npoints;i++) 818 for (G4int i=2;i<=npoints;i++)
754 { 819 {
755 c=a*Abscissas[i-1]; 820 c=a*Abscissas[i-1];
756 d += Weights[i-1]* 821 d += Weights[i-1]*
757 (DifferentialCrossSection(b+c,energy,osc)+Di 822 (DifferentialCrossSection(b+c,energy,osc)+DifferentialCrossSection(b-c,energy,osc));
758 } 823 }
759 G4int icall = 2*npoints; 824 G4int icall = 2*npoints;
760 G4int LH=1; 825 G4int LH=1;
761 G4double S[nst],x[nst],sn[nst],xrn[nst]; 826 G4double S[nst],x[nst],sn[nst],xrn[nst];
762 S[0]=d*a; 827 S[0]=d*a;
763 x[0]=LowPoint; 828 x[0]=LowPoint;
764 829
765 G4bool loopAgain = true; 830 G4bool loopAgain = true;
766 831
767 //Adaptive bipartition scheme 832 //Adaptive bipartition scheme
768 do{ 833 do{
769 G4double h0=h; 834 G4double h0=h;
770 h=0.5*h; //bipartition 835 h=0.5*h; //bipartition
771 G4double sumr=0; 836 G4double sumr=0;
772 G4int LHN=0; 837 G4int LHN=0;
773 G4double si,xa,xb,xc; 838 G4double si,xa,xb,xc;
774 for (G4int i=1;i<=LH;i++){ 839 for (G4int i=1;i<=LH;i++){
775 si=S[i-1]; 840 si=S[i-1];
776 xa=x[i-1]; 841 xa=x[i-1];
777 xb=xa+h; 842 xb=xa+h;
778 xc=xa+h0; 843 xc=xa+h0;
779 a=0.5*(xb-xa); 844 a=0.5*(xb-xa);
780 b=0.5*(xb+xa); 845 b=0.5*(xb+xa);
781 c=a*Abscissas[0]; 846 c=a*Abscissas[0];
782 G4double dLocal = Weights[0]* 847 G4double dLocal = Weights[0]*
783 (DifferentialCrossSection(b+c,energy,osc)+Di 848 (DifferentialCrossSection(b+c,energy,osc)+DifferentialCrossSection(b-c,energy,osc));
784 849
785 for (G4int j=1;j<npoints;j++) 850 for (G4int j=1;j<npoints;j++)
786 { 851 {
787 c=a*Abscissas[j]; 852 c=a*Abscissas[j];
788 dLocal += Weights[j]* 853 dLocal += Weights[j]*
789 (DifferentialCrossSection(b+c,energy,osc 854 (DifferentialCrossSection(b+c,energy,osc)+DifferentialCrossSection(b-c,energy,osc));
790 } 855 }
791 G4double s1=dLocal*a; 856 G4double s1=dLocal*a;
792 a=0.5*(xc-xb); 857 a=0.5*(xc-xb);
793 b=0.5*(xc+xb); 858 b=0.5*(xc+xb);
794 c=a*Abscissas[0]; 859 c=a*Abscissas[0];
795 dLocal=Weights[0]* 860 dLocal=Weights[0]*
796 (DifferentialCrossSection(b+c,energy,osc)+Di 861 (DifferentialCrossSection(b+c,energy,osc)+DifferentialCrossSection(b-c,energy,osc));
797 862
798 for (G4int j=1;j<npoints;j++) 863 for (G4int j=1;j<npoints;j++)
799 { 864 {
800 c=a*Abscissas[j]; 865 c=a*Abscissas[j];
801 dLocal += Weights[j]* 866 dLocal += Weights[j]*
802 (DifferentialCrossSection(b+c,energy,osc 867 (DifferentialCrossSection(b+c,energy,osc)+DifferentialCrossSection(b-c,energy,osc));
803 } 868 }
804 G4double s2=dLocal*a; 869 G4double s2=dLocal*a;
805 icall=icall+4*npoints; 870 icall=icall+4*npoints;
806 G4double s12=s1+s2; 871 G4double s12=s1+s2;
807 if (std::abs(s12-si)<std::max(Ptol*std:: 872 if (std::abs(s12-si)<std::max(Ptol*std::abs(s12),1e-35))
808 sumga += s12; 873 sumga += s12;
809 else 874 else
810 { 875 {
811 sumr += s12; 876 sumr += s12;
812 LHN += 2; 877 LHN += 2;
813 sn[LHN-1]=s2; 878 sn[LHN-1]=s2;
814 xrn[LHN-1]=xb; 879 xrn[LHN-1]=xb;
815 sn[LHN-2]=s1; 880 sn[LHN-2]=s1;
816 xrn[LHN-2]=xa; 881 xrn[LHN-2]=xa;
817 } 882 }
818 883
819 if (icall>ncallsmax || LHN>nst) 884 if (icall>ncallsmax || LHN>nst)
820 { 885 {
821 G4cout << "G4PenelopeComptonModel: " << G4 886 G4cout << "G4PenelopeComptonModel: " << G4endl;
822 G4cout << "LowPoint: " << LowPoint << ", H 887 G4cout << "LowPoint: " << LowPoint << ", High Point: " << HighPoint << G4endl;
823 G4cout << "Tolerance: " << MaxError << G4e 888 G4cout << "Tolerance: " << MaxError << G4endl;
824 G4cout << "Calls: " << icall << ", Integra 889 G4cout << "Calls: " << icall << ", Integral: " << sumga << ", Error: " << Err << G4endl;
825 G4cout << "Number of open subintervals: " 890 G4cout << "Number of open subintervals: " << LHN << G4endl;
826 G4cout << "WARNING: the required accuracy 891 G4cout << "WARNING: the required accuracy has not been attained" << G4endl;
827 loopAgain = false; 892 loopAgain = false;
828 } 893 }
829 } 894 }
830 Err=std::abs(sumr)/std::max(std::abs(sumr+ 895 Err=std::abs(sumr)/std::max(std::abs(sumr+sumga),1e-35);
831 if (Err < Ctol || LHN == 0) 896 if (Err < Ctol || LHN == 0)
832 loopAgain = false; //end of cycle 897 loopAgain = false; //end of cycle
833 LH=LHN; 898 LH=LHN;
834 for (G4int i=0;i<LH;i++) 899 for (G4int i=0;i<LH;i++)
835 { 900 {
836 S[i]=sn[i]; 901 S[i]=sn[i];
837 x[i]=xrn[i]; 902 x[i]=xrn[i];
838 } 903 }
839 }while(Ctol < 1.0 && loopAgain); 904 }while(Ctol < 1.0 && loopAgain);
840 905
>> 906
841 G4double xs = stre*sumga; 907 G4double xs = stre*sumga;
842 908
843 return xs; 909 return xs;
844 } 910 }
845 911
846 //....oooOO0OOooo........oooOO0OOooo........oo 912 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo....
847 913
848 G4double G4PenelopeComptonModel::KleinNishinaC 914 G4double G4PenelopeComptonModel::KleinNishinaCrossSection(G4double energy,
849 const G4Material* material) 915 const G4Material* material)
850 { 916 {
851 // use Klein-Nishina formula 917 // use Klein-Nishina formula
852 // total cross section in units of pi*classi 918 // total cross section in units of pi*classic_electr_radius^2
>> 919
853 G4double cs = 0; 920 G4double cs = 0;
854 921
855 G4double ek =energy/electron_mass_c2; 922 G4double ek =energy/electron_mass_c2;
856 G4double eks = ek*ek; 923 G4double eks = ek*ek;
857 G4double ek2 = 1.0+ek+ek; 924 G4double ek2 = 1.0+ek+ek;
858 G4double ek1 = eks-ek2-1.0; 925 G4double ek1 = eks-ek2-1.0;
859 926
860 G4double t0 = 1.0/ek2; 927 G4double t0 = 1.0/ek2;
861 G4double csl = 0.5*eks*t0*t0+ek2*t0+ek1*G4Lo << 928 G4double csl = 0.5*eks*t0*t0+ek2*t0+ek1*std::log(t0)-(1.0/t0);
862 929
863 G4PenelopeOscillatorTable* theTable = fOscMa << 930 G4PenelopeOscillatorTable* theTable = oscManager->GetOscillatorTableCompton(material);
864 931
865 for (size_t i=0;i<theTable->size();i++) 932 for (size_t i=0;i<theTable->size();i++)
866 { 933 {
867 G4PenelopeOscillator* theOsc = (*theTabl 934 G4PenelopeOscillator* theOsc = (*theTable)[i];
868 G4double ionEnergy = theOsc->GetIonisati 935 G4double ionEnergy = theOsc->GetIonisationEnergy();
869 G4double tau=(energy-ionEnergy)/energy; 936 G4double tau=(energy-ionEnergy)/energy;
870 if (tau > t0) 937 if (tau > t0)
871 { 938 {
872 G4double csu = 0.5*eks*tau*tau+ek2*tau+ek1 << 939 G4double csu = 0.5*eks*tau*tau+ek2*tau+ek1*std::log(tau)-(1.0/tau);
873 G4double stre = theOsc->GetOscillatorStren 940 G4double stre = theOsc->GetOscillatorStrength();
874 941
875 cs += stre*(csu-csl); 942 cs += stre*(csu-csl);
876 } 943 }
877 } 944 }
>> 945
878 cs /= (ek*eks); 946 cs /= (ek*eks);
879 947
880 return cs; 948 return cs;
881 949
882 } 950 }
883 951
884 //....oooOO0OOooo........oooOO0OOooo........oo 952 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo...
885 953
886 void G4PenelopeComptonModel::SetParticle(const 954 void G4PenelopeComptonModel::SetParticle(const G4ParticleDefinition* p)
887 { 955 {
888 if(!fParticle) { 956 if(!fParticle) {
889 fParticle = p; 957 fParticle = p;
890 } 958 }
891 } 959 }
892 960