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25 // 25 //
>> 26 // $Id: G4UAtomicDeexcitation.cc,v 1.11
26 // 27 //
27 // ------------------------------------------- 28 // -------------------------------------------------------------------
28 // 29 //
29 // Geant4 Class file 30 // Geant4 Class file
30 // 31 //
31 // Authors: Alfonso Mantero (Alfonso.Mantero@g 32 // Authors: Alfonso Mantero (Alfonso.Mantero@ge.infn.it)
32 // 33 //
33 // Created 22 April 2010 from old G4UAtomicDee 34 // Created 22 April 2010 from old G4UAtomicDeexcitation class
34 // 35 //
35 // Modified: 36 // Modified:
36 // --------- 37 // ---------
37 // 20 Oct 2011 Alf modified to take into acc 38 // 20 Oct 2011 Alf modified to take into account ECPSSR form Form Factor
38 // 03 Nov 2011 Alf Extended Empirical and Fo 39 // 03 Nov 2011 Alf Extended Empirical and Form Factor ionisation XS models
39 // out thei ranges with Anal 40 // out thei ranges with Analytical one.
40 // 07 Nov 2011 Alf Restored original ioniati 41 // 07 Nov 2011 Alf Restored original ioniation XS for alphas,
41 // letting scaled ones for o 42 // letting scaled ones for other ions.
42 // 20 Mar 2012 LP Register G4PenelopeIonisa 43 // 20 Mar 2012 LP Register G4PenelopeIonisationCrossSection
43 // 44 //
44 // ------------------------------------------- 45 // -------------------------------------------------------------------
45 // 46 //
46 // Class description: 47 // Class description:
47 // Implementation of atomic deexcitation 48 // Implementation of atomic deexcitation
48 // 49 //
49 // ------------------------------------------- 50 // -------------------------------------------------------------------
50 51
51 #include "G4UAtomicDeexcitation.hh" 52 #include "G4UAtomicDeexcitation.hh"
52 #include "G4PhysicalConstants.hh" 53 #include "G4PhysicalConstants.hh"
53 #include "G4SystemOfUnits.hh" 54 #include "G4SystemOfUnits.hh"
54 #include "Randomize.hh" 55 #include "Randomize.hh"
55 #include "G4Gamma.hh" 56 #include "G4Gamma.hh"
56 #include "G4AtomicTransitionManager.hh" 57 #include "G4AtomicTransitionManager.hh"
57 #include "G4FluoTransition.hh" 58 #include "G4FluoTransition.hh"
58 #include "G4Electron.hh" 59 #include "G4Electron.hh"
59 #include "G4Positron.hh" 60 #include "G4Positron.hh"
60 #include "G4Proton.hh" 61 #include "G4Proton.hh"
61 #include "G4Alpha.hh" 62 #include "G4Alpha.hh"
62 63
63 #include "G4teoCrossSection.hh" 64 #include "G4teoCrossSection.hh"
64 #include "G4empCrossSection.hh" 65 #include "G4empCrossSection.hh"
65 #include "G4PenelopeIonisationCrossSection.hh" 66 #include "G4PenelopeIonisationCrossSection.hh"
66 #include "G4LivermoreIonisationCrossSection.hh 67 #include "G4LivermoreIonisationCrossSection.hh"
67 #include "G4EmCorrections.hh" 68 #include "G4EmCorrections.hh"
68 #include "G4LossTableManager.hh" 69 #include "G4LossTableManager.hh"
69 #include "G4EmParameters.hh" <<
70 #include "G4Material.hh" 70 #include "G4Material.hh"
71 #include "G4AtomicShells.hh" 71 #include "G4AtomicShells.hh"
72 72
73 using namespace std; 73 using namespace std;
74 74
75 //....oooOO0OOooo........oooOO0OOooo........oo <<
76 <<
77 G4UAtomicDeexcitation::G4UAtomicDeexcitation() 75 G4UAtomicDeexcitation::G4UAtomicDeexcitation():
78 G4VAtomDeexcitation("UAtomDeexcitation"), 76 G4VAtomDeexcitation("UAtomDeexcitation"),
79 minGammaEnergy(DBL_MAX), 77 minGammaEnergy(DBL_MAX),
80 minElectronEnergy(DBL_MAX), 78 minElectronEnergy(DBL_MAX),
81 newShellId(-1) << 79 emcorr(0)
82 { 80 {
83 anaPIXEshellCS = nullptr; << 81 PIXEshellCS = 0;
84 PIXEshellCS = nullptr; << 82 ePIXEshellCS = 0;
85 ePIXEshellCS = nullptr; <<
86 emcorr = G4LossTableManager::Instance()->EmC 83 emcorr = G4LossTableManager::Instance()->EmCorrections();
87 theElectron = G4Electron::Electron(); 84 theElectron = G4Electron::Electron();
88 thePositron = G4Positron::Positron(); 85 thePositron = G4Positron::Positron();
89 transitionManager = G4AtomicTransitionManage << 86 transitionManager = 0;
>> 87 anaPIXEshellCS = 0;
90 } 88 }
91 89
92 //....oooOO0OOooo........oooOO0OOooo........oo <<
93 <<
94 G4UAtomicDeexcitation::~G4UAtomicDeexcitation( 90 G4UAtomicDeexcitation::~G4UAtomicDeexcitation()
95 { 91 {
96 delete anaPIXEshellCS; <<
97 delete PIXEshellCS; 92 delete PIXEshellCS;
>> 93 delete anaPIXEshellCS;
98 delete ePIXEshellCS; 94 delete ePIXEshellCS;
99 } 95 }
100 96
101 //....oooOO0OOooo........oooOO0OOooo........oo <<
102 <<
103 void G4UAtomicDeexcitation::InitialiseForNewRu 97 void G4UAtomicDeexcitation::InitialiseForNewRun()
104 { 98 {
105 if(!IsFluoActive()) { return; } 99 if(!IsFluoActive()) { return; }
106 transitionManager->Initialise(); << 100 transitionManager = G4AtomicTransitionManager::Instance();
107 if(!IsPIXEActive()) { return; } << 101 if(IsPIXEActive()) {
108 << 102 G4cout << G4endl;
109 if(!anaPIXEshellCS) { << 103 G4cout << "### === G4UAtomicDeexcitation::InitialiseForNewRun()" << G4endl;
110 anaPIXEshellCS = new G4teoCrossSection("EC << 104 anaPIXEshellCS = new G4teoCrossSection("Analytical");
>> 105
111 } 106 }
112 G4cout << G4endl; << 107 else {return;}
113 G4cout << "### === G4UAtomicDeexcitation::In << 108 // initializing PIXE x-section name
114 << 109 //
115 G4EmParameters* param = G4EmParameters::Inst << 110 if (PIXECrossSectionModel() == "" ||
116 G4String namePIXExsModel = param->PIXECrossS << 111 PIXECrossSectionModel() == "Empirical" ||
117 G4String namePIXExsElectronModel = param->PI << 112 PIXECrossSectionModel() == "empirical")
118 << 113 {
119 // Check if old cross section for p/ion shou << 114 SetPIXECrossSectionModel("Empirical");
120 if(PIXEshellCS && namePIXExsModel != PIXEshe << 115 }
>> 116 else if (PIXECrossSectionModel() == "ECPSSR_Analytical" ||
>> 117 PIXECrossSectionModel() == "Analytical" ||
>> 118 PIXECrossSectionModel() == "analytical")
>> 119 {
>> 120 SetPIXECrossSectionModel("Analytical");
>> 121 }
>> 122 else if (PIXECrossSectionModel() == "ECPSSR_FormFactor" ||
>> 123 PIXECrossSectionModel() == "ECPSSR_Tabulated" ||
>> 124 PIXECrossSectionModel() == "Analytical_Tabulated")
121 { 125 {
122 delete PIXEshellCS; << 126 SetPIXECrossSectionModel("ECPSSR_FormFactor");
123 PIXEshellCS = nullptr; << 127 }
>> 128 else
>> 129 {
>> 130 G4cout << "### G4UAtomicDeexcitation::InitialiseForNewRun WARNING "
>> 131 << G4endl;
>> 132 G4cout << " PIXE cross section name " << PIXECrossSectionModel()
>> 133 << " is unknown, Analytical cross section will be used" << G4endl;
>> 134 SetPIXECrossSectionModel("Analytical");
>> 135 }
>> 136
>> 137 // Check if old model should be deleted
>> 138 if(PIXEshellCS)
>> 139 {
>> 140 if(PIXECrossSectionModel() != PIXEshellCS->GetName())
>> 141 {
>> 142 delete PIXEshellCS;
>> 143 PIXEshellCS = 0;
>> 144 }
124 } 145 }
125 146
126 // Instantiate new proton/ion cross section << 147 // Instantiate empirical model
127 if(!PIXEshellCS) { 148 if(!PIXEshellCS) {
128 if (namePIXExsModel == "ECPSSR_FormFactor" << 149 if (PIXECrossSectionModel() == "Empirical")
129 { 150 {
130 PIXEshellCS = new G4teoCrossSection(namePIXE << 151 PIXEshellCS = new G4empCrossSection("Empirical");
131 } 152 }
132 else if(namePIXExsModel == "ECPSSR_ANSTO") << 153
133 { << 154 if (PIXECrossSectionModel() == "ECPSSR_FormFactor")
134 PIXEshellCS = new G4teoCrossSection(namePIXE <<
135 } <<
136 else if(namePIXExsModel == "Empirical") <<
137 { 155 {
138 PIXEshellCS = new G4empCrossSection(namePIXE << 156 PIXEshellCS = new G4teoCrossSection("ECPSSR_FormFactor");
139 } 157 }
140 } 158 }
141 159
142 // Check if old cross section for e+- should << 160 // Electron cross section
143 if(ePIXEshellCS && namePIXExsElectronModel ! << 161 // initializing PIXE x-section name
>> 162 //
>> 163 if (PIXEElectronCrossSectionModel() == "" ||
>> 164 PIXEElectronCrossSectionModel() == "Livermore")
144 { 165 {
145 delete ePIXEshellCS; << 166 SetPIXEElectronCrossSectionModel("Livermore");
146 ePIXEshellCS = nullptr; << 167 }
147 } << 168 else if (PIXEElectronCrossSectionModel() == "ProtonAnalytical" ||
>> 169 PIXEElectronCrossSectionModel() == "Analytical" ||
>> 170 PIXEElectronCrossSectionModel() == "analytical")
>> 171 {
>> 172 SetPIXEElectronCrossSectionModel("ProtonAnalytical");
>> 173 }
>> 174 else if (PIXEElectronCrossSectionModel() == "ProtonEmpirical" ||
>> 175 PIXEElectronCrossSectionModel() == "Empirical" ||
>> 176 PIXEElectronCrossSectionModel() == "empirical")
>> 177 {
>> 178 SetPIXEElectronCrossSectionModel("ProtonEmpirical");
>> 179 }
>> 180 else if (PIXEElectronCrossSectionModel() == "Penelope")
>> 181 SetPIXEElectronCrossSectionModel("Penelope");
>> 182 else
>> 183 {
>> 184 G4cout << "### G4UAtomicDeexcitation::InitialiseForNewRun WARNING "
>> 185 << G4endl;
>> 186 G4cout << " PIXE e- cross section name " << PIXEElectronCrossSectionModel()
>> 187 << " is unknown, PIXE is disabled" << G4endl;
>> 188 SetPIXEElectronCrossSectionModel("Livermore");
>> 189 }
>> 190
>> 191 // Check if old model should be deleted
>> 192 if(ePIXEshellCS)
>> 193 {
>> 194 if(PIXEElectronCrossSectionModel() != ePIXEshellCS->GetName())
>> 195 {
>> 196 delete ePIXEshellCS;
>> 197 ePIXEshellCS = 0;
>> 198 }
>> 199 }
148 200
149 // Instantiate new e+- cross section << 201 // Instantiate empirical model
150 if(nullptr == ePIXEshellCS) << 202 if(!ePIXEshellCS)
151 { 203 {
152 if(namePIXExsElectronModel == "Empirical << 204 if(PIXEElectronCrossSectionModel() == "Empirical")
153 { 205 {
154 ePIXEshellCS = new G4empCrossSection("Empi 206 ePIXEshellCS = new G4empCrossSection("Empirical");
155 } 207 }
156 else if(namePIXExsElectronModel == "ECPS << 208
>> 209 else if(PIXEElectronCrossSectionModel() == "Analytical")
157 { 210 {
158 ePIXEshellCS = new G4teoCrossSection("ECPS << 211 ePIXEshellCS = new G4teoCrossSection("Analytical");
159 } 212 }
160 else if (namePIXExsElectronModel == "Pen << 213
>> 214 else if(PIXEElectronCrossSectionModel() == "Livermore")
161 { 215 {
162 ePIXEshellCS = new G4PenelopeIonisationCro << 216 ePIXEshellCS = new G4LivermoreIonisationCrossSection();
163 } 217 }
164 else << 218 else if (PIXEElectronCrossSectionModel() == "Penelope")
165 { 219 {
166 ePIXEshellCS = new G4LivermoreIonisationCr << 220 ePIXEshellCS = new G4PenelopeIonisationCrossSection();
167 } 221 }
168 } 222 }
169 } 223 }
170 224
171 //....oooOO0OOooo........oooOO0OOooo........oo << 225 void G4UAtomicDeexcitation::InitialiseForExtraAtom(G4int /*Z*/)
172 <<
173 void G4UAtomicDeexcitation::InitialiseForExtra <<
174 {} 226 {}
175 227
176 //....oooOO0OOooo........oooOO0OOooo........oo << 228 const G4AtomicShell* G4UAtomicDeexcitation::GetAtomicShell(G4int Z, G4AtomicShellEnumerator shell)
177 <<
178 const G4AtomicShell* <<
179 G4UAtomicDeexcitation::GetAtomicShell(G4int Z, <<
180 { 229 {
181 return transitionManager->Shell(Z, (std::siz << 230 return transitionManager->Shell(Z, size_t(shell));
182 } 231 }
183 232
184 //....oooOO0OOooo........oooOO0OOooo........oo <<
185 <<
186 void G4UAtomicDeexcitation::GenerateParticles( 233 void G4UAtomicDeexcitation::GenerateParticles(
187 std::vector<G4DynamicParticle* << 234 std::vector<G4DynamicParticle*>* vectorOfParticles,
188 const G4AtomicShell* atomicShell, << 235 const G4AtomicShell* atomicShell,
189 G4int Z, << 236 G4int Z,
190 G4double gammaCut, << 237 G4double gammaCut,
191 G4double eCut) << 238 G4double eCut)
192 { 239 {
>> 240
193 // Defined initial conditions 241 // Defined initial conditions
194 G4int givenShellId = atomicShell->ShellId(); 242 G4int givenShellId = atomicShell->ShellId();
>> 243 //G4cout << "generating particles for vacancy in shellId: " << givenShellId << G4endl; // debug
195 minGammaEnergy = gammaCut; 244 minGammaEnergy = gammaCut;
196 minElectronEnergy = eCut; 245 minElectronEnergy = eCut;
197 vacancyArray.clear(); << 246
198 << 247 // V.I. short-cut
>> 248 // if(!IsAugerActive()) { minElectronEnergy = DBL_MAX; }
>> 249
199 // generation secondaries 250 // generation secondaries
200 G4DynamicParticle* aParticle=0; 251 G4DynamicParticle* aParticle=0;
201 G4int provShellId = 0; 252 G4int provShellId = 0;
>> 253 G4int counter = 0;
202 254
203 //ORIGINAL METHOD BY ALFONSO MANTERO << 255 // let's check that 5<Z<100
204 if (!IsAugerCascadeActive()) <<
205 { <<
206 //---------------------------- <<
207 G4int counter = 0; <<
208 <<
209 // limits of the EPDL data <<
210 if (Z>5 && Z<105) { <<
211 256
212 // The aim of this loop is to generate more << 257 if (Z>5 && Z<100) {
213 // from the same ionizing event << 258
214 do << 259 // The aim of this loop is to generate more than one fluorecence photon
>> 260 // from the same ionizing event
>> 261 do
>> 262 {
>> 263 if (counter == 0)
>> 264 // First call to GenerateParticles(...):
>> 265 // givenShellId is given by the process
215 { 266 {
216 if (counter == 0) << 267 provShellId = SelectTypeOfTransition(Z, givenShellId);
217 // First call to GenerateParticles(... << 268
218 // givenShellId is given by the proces << 269 if ( provShellId >0)
219 { 270 {
220 provShellId = SelectTypeOfTransition(Z, gi << 271 aParticle = GenerateFluorescence(Z,givenShellId,provShellId);
221 << 272 //if (aParticle != 0) { G4cout << "****FLUO!_1**** " << aParticle->GetParticleDefinition()->GetParticleType() << " " << aParticle->GetKineticEnergy()/keV << G4endl ;} //debug
222 if (provShellId >0) <<
223 { <<
224 aParticle = <<
225 GenerateFluorescence(Z, givenShellId <<
226 } <<
227 else if (provShellId == -1) <<
228 { <<
229 aParticle = GenerateAuger(Z, givenShel <<
230 } <<
231 } 273 }
232 else << 274 else if ( provShellId == -1)
233 // Following calls to GenerateParticle <<
234 // newShellId is given by GenerateFluo <<
235 { 275 {
236 provShellId = SelectTypeOfTransition(Z,new << 276 // G4cout << "Try to generate Auger 1" << G4endl; //debug
237 if (provShellId >0) << 277 aParticle = GenerateAuger(Z, givenShellId);
238 { << 278 // if (aParticle != 0) { G4cout << "****AUGER!****" << G4endl;} //debug
239 aParticle = GenerateFluorescence(Z,new <<
240 } <<
241 else if ( provShellId == -1) <<
242 { <<
243 aParticle = GenerateAuger(Z, newShellI <<
244 } <<
245 } 279 }
246 ++counter; << 280 else
247 if (aParticle != 0) <<
248 { 281 {
249 vectorOfParticles->push_back(aParticle); << 282 G4Exception("G4UAtomicDeexcitation::GenerateParticles()","de0002",JustWarning, "Energy deposited locally");
250 } 283 }
251 else {provShellId = -2;} << 284 }
252 } << 285 else
253 while (provShellId > -2); << 286 // Following calls to GenerateParticles(...):
254 } << 287 // newShellId is given by GenerateFluorescence(...)
255 } // Auger cascade is not active << 288 {
256 << 289 provShellId = SelectTypeOfTransition(Z,newShellId);
257 //END OF ORIGINAL METHOD BY ALFONSO MANTERO << 290 if (provShellId >0)
258 //---------------------- << 291 {
259 << 292 aParticle = GenerateFluorescence(Z,newShellId,provShellId);
260 // NEW METHOD << 293 //if (aParticle != 0) { G4cout << "****FLUO!_2****" << aParticle->GetParticleDefinition()->GetParticleType() << " " << aParticle->GetKineticEnergy()/keV << G4endl;} //debug
261 // Auger cascade by Burkhant Suerfu on March << 294 }
262 if (IsAugerCascadeActive()) << 295 else if ( provShellId == -1)
>> 296 {
>> 297 // G4cout << "Try to generate Auger 2" << G4endl; //debug
>> 298 aParticle = GenerateAuger(Z, newShellId);
>> 299 // if (aParticle != 0) { G4cout << "****AUGER!****" << G4endl;} //debug
>> 300 }
>> 301 else
>> 302 {
>> 303 G4Exception("G4UAtomicDeexcitation::GenerateParticles()","de0002",JustWarning, "Energy deposited locally");
>> 304 }
>> 305 }
>> 306 counter++;
>> 307 if (aParticle != 0)
>> 308 {
>> 309 vectorOfParticles->push_back(aParticle);
>> 310 //G4cout << "Deexcitation Occurred!" << G4endl; //debug
>> 311 }
>> 312 else {provShellId = -2;}
>> 313 }
>> 314 while (provShellId > -2);
>> 315 }
>> 316 else
263 { 317 {
264 //---------------------- << 318 G4Exception("G4UAtomicDeexcitation::GenerateParticles()","de0001",JustWarning, "Energy deposited locally");
265 vacancyArray.push_back(givenShellId); << 319 }
266 << 320
267 // let's check that 5<Z<100 << 321 //G4cout << "---------FATTO!---------" << G4endl; //debug
268 if (Z<6 || Z>104){ <<
269 return; <<
270 } <<
271 <<
272 // as long as there is vacancy to be fil <<
273 while(!vacancyArray.empty()){ <<
274 // prepare to process the last element, and <<
275 givenShellId = vacancyArray[0]; <<
276 provShellId = SelectTypeOfTransition(Z,given <<
277 <<
278 //G4cout<<"\n------ Atom Transition with Z: <<
279 // <<givenShellId<<" & target:"<<provShel <<
280 if(provShellId>0){ <<
281 aParticle = GenerateFluorescence(Z,givenSh <<
282 } <<
283 else if(provShellId == -1){ <<
284 aParticle = GenerateAuger(Z, givenShellId) <<
285 } <<
286 // if a particle is created, put it in the <<
287 if(aParticle!=0) <<
288 vectorOfParticles->push_back(aParticle); <<
289 <<
290 // one vacancy has been processed. Erase it <<
291 vacancyArray.erase(vacancyArray.begin()); <<
292 } <<
293 //---------------------- <<
294 //End of Auger cascade by Burkhant Suerf <<
295 322
296 } // Auger cascade is active <<
297 } 323 }
298 324
299 //....oooOO0OOooo........oooOO0OOooo........oo <<
300 <<
301 G4double 325 G4double
302 G4UAtomicDeexcitation::GetShellIonisationCross 326 G4UAtomicDeexcitation::GetShellIonisationCrossSectionPerAtom(
303 const G4ParticleDefinition* pdef, << 327 const G4ParticleDefinition* pdef,
304 G4int Z, << 328 G4int Z,
305 G4AtomicShellEnumerator shellEnum, << 329 G4AtomicShellEnumerator shellEnum,
306 G4double kineticEnergy, << 330 G4double kineticEnergy,
307 const G4Material* mat) << 331 const G4Material* mat)
308 { 332 {
>> 333
309 // we must put a control on the shell that a 334 // we must put a control on the shell that are passed:
310 // some shells should not pass (line "0" or 335 // some shells should not pass (line "0" or "2")
311 336
312 // check atomic number 337 // check atomic number
313 G4double xsec = 0.0; 338 G4double xsec = 0.0;
314 if(Z > 93 || Z < 6 ) { return xsec; } //corr 339 if(Z > 93 || Z < 6 ) { return xsec; } //corrected by alf - Z<6 missing
315 G4int idx = G4int(shellEnum); 340 G4int idx = G4int(shellEnum);
316 if(idx >= G4AtomicShells::GetNumberOfShells( 341 if(idx >= G4AtomicShells::GetNumberOfShells(Z)) { return xsec; }
317 342
>> 343 //
318 if(pdef == theElectron || pdef == thePositro 344 if(pdef == theElectron || pdef == thePositron) {
319 xsec = ePIXEshellCS->CrossSection(Z,shellE 345 xsec = ePIXEshellCS->CrossSection(Z,shellEnum,kineticEnergy,0.0,mat);
320 return xsec; 346 return xsec;
321 } 347 }
322 348
323 G4double mass = pdef->GetPDGMass(); 349 G4double mass = pdef->GetPDGMass();
324 G4double escaled = kineticEnergy; 350 G4double escaled = kineticEnergy;
325 G4double q2 = 0.0; 351 G4double q2 = 0.0;
326 352
327 // scaling to protons for all particles excl << 353 // scaling to protons
328 G4int pdg = pdef->GetPDGEncoding(); << 354 if ((pdef->GetParticleName() != "proton" && pdef->GetParticleName() != "alpha" ) )
329 if (pdg != 2212 && pdg != 1000020040) << 355 {
330 { << 356 mass = proton_mass_c2;
331 mass = proton_mass_c2; << 357 escaled = kineticEnergy*mass/(pdef->GetPDGMass());
332 escaled = kineticEnergy*mass/(pdef->GetP << 358
333 << 359 if(mat) {
334 if(mat) { << 360 q2 = emcorr->EffectiveChargeSquareRatio(pdef,mat,kineticEnergy);
335 q2 = emcorr->EffectiveChargeSquareRatio(pdef << 361 } else {
336 } else { << 362 G4double q = pdef->GetPDGCharge()/eplus;
337 G4double q = pdef->GetPDGCharge()/eplus; << 363 q2 = q*q;
338 q2 = q*q; <<
339 } <<
340 } 364 }
341 <<
342 if(PIXEshellCS) { <<
343 xsec = PIXEshellCS->CrossSection(Z,shellEn <<
344 } 365 }
345 if(xsec < 1e-100) { << 366
>> 367 if(PIXEshellCS) { xsec = PIXEshellCS->CrossSection(Z,shellEnum,escaled,mass,mat); }
>> 368 if(xsec < 1e-100) {
>> 369
346 xsec = anaPIXEshellCS->CrossSection(Z,shel 370 xsec = anaPIXEshellCS->CrossSection(Z,shellEnum,escaled,mass,mat);
>> 371
347 } 372 }
348 373
349 if (q2) {xsec *= q2;} 374 if (q2) {xsec *= q2;}
350 375
351 return xsec; 376 return xsec;
352 } 377 }
353 378
354 //....oooOO0OOooo........oooOO0OOooo........oo <<
355 <<
356 void G4UAtomicDeexcitation::SetCutForSecondary 379 void G4UAtomicDeexcitation::SetCutForSecondaryPhotons(G4double cut)
357 { 380 {
358 minGammaEnergy = cut; 381 minGammaEnergy = cut;
359 } 382 }
360 383
361 //....oooOO0OOooo........oooOO0OOooo........oo <<
362 <<
363 void G4UAtomicDeexcitation::SetCutForAugerElec 384 void G4UAtomicDeexcitation::SetCutForAugerElectrons(G4double cut)
364 { 385 {
365 minElectronEnergy = cut; 386 minElectronEnergy = cut;
366 } 387 }
367 388
368 //....oooOO0OOooo........oooOO0OOooo........oo << 389 G4double
369 << 390 G4UAtomicDeexcitation::ComputeShellIonisationCrossSectionPerAtom(
370 G4double G4UAtomicDeexcitation::ComputeShellIo << 391 const G4ParticleDefinition* p,
371 const G4ParticleDefinition* p, << 392 G4int Z,
372 G4int Z, << 393 G4AtomicShellEnumerator shell,
373 G4AtomicShellEnumerator shell, << 394 G4double kinE,
374 G4double kinE, << 395 const G4Material* mat)
375 const G4Material* mat) <<
376 { 396 {
377 return GetShellIonisationCrossSectionPerAtom 397 return GetShellIonisationCrossSectionPerAtom(p,Z,shell,kinE,mat);
378 } 398 }
379 399
380 //....oooOO0OOooo........oooOO0OOooo........oo <<
381 <<
382 G4int G4UAtomicDeexcitation::SelectTypeOfTrans 400 G4int G4UAtomicDeexcitation::SelectTypeOfTransition(G4int Z, G4int shellId)
383 { 401 {
384 if (shellId <=0 ) { 402 if (shellId <=0 ) {
>> 403 G4Exception("G4UAtomicDeexcitation::SelecttypeOfTransition()","de0002",JustWarning, "Energy deposited locally");
385 return 0; 404 return 0;
386 } 405 }
>> 406 //G4bool fluoTransitionFoundFlag = false;
387 407
388 G4int provShellId = -1; 408 G4int provShellId = -1;
389 G4int shellNum = 0; 409 G4int shellNum = 0;
390 G4int maxNumOfShells = transitionManager->Nu 410 G4int maxNumOfShells = transitionManager->NumberOfReachableShells(Z);
391 411
392 const G4FluoTransition* refShell = << 412 const G4FluoTransition* refShell = transitionManager->ReachableShell(Z,maxNumOfShells-1);
393 transitionManager->ReachableShell(Z,maxNum <<
394 413
395 // This loop gives shellNum the value of the 414 // This loop gives shellNum the value of the index of shellId
396 // in the vector storing the list of the she 415 // in the vector storing the list of the shells reachable through
397 // a radiative transition 416 // a radiative transition
398 if ( shellId <= refShell->FinalShellId()) 417 if ( shellId <= refShell->FinalShellId())
399 { 418 {
400 while (shellId != transitionManager->Rea 419 while (shellId != transitionManager->ReachableShell(Z,shellNum)->FinalShellId())
401 { 420 {
402 if(shellNum ==maxNumOfShells-1) 421 if(shellNum ==maxNumOfShells-1)
403 { 422 {
404 break; 423 break;
405 } 424 }
406 shellNum++; 425 shellNum++;
407 } 426 }
408 G4int transProb = 0; //AM change 29/6/07 427 G4int transProb = 0; //AM change 29/6/07 was 1
409 428
410 G4double partialProb = G4UniformRand(); 429 G4double partialProb = G4UniformRand();
411 G4double partSum = 0; 430 G4double partSum = 0;
412 const G4FluoTransition* aShell = transit << 431 const G4FluoTransition* aShell = transitionManager->ReachableShell(Z,shellNum);
413 G4int trSize = (G4int)(aShell->Transiti << 432 G4int trSize = (aShell->TransitionProbabilities()).size();
414 433
415 // Loop over the shells wich can provide 434 // Loop over the shells wich can provide an electron for a
416 // radiative transition towards shellId: 435 // radiative transition towards shellId:
417 // in every loop the partial sum of the 436 // in every loop the partial sum of the first transProb shells
418 // is calculated and compared with a ran 437 // is calculated and compared with a random number [0,1].
419 // If the partial sum is greater, the sh 438 // If the partial sum is greater, the shell whose index is transProb
420 // is chosen as the starting shell for a 439 // is chosen as the starting shell for a radiative transition
421 // and its identity is returned 440 // and its identity is returned
422 // Else, terminateded the loop, -1 is re 441 // Else, terminateded the loop, -1 is returned
423 while(transProb < trSize){ 442 while(transProb < trSize){
424 partSum += aShell->TransitionProbability(tra << 443
>> 444 partSum += aShell->TransitionProbability(transProb);
425 445
426 if(partialProb <= partSum) << 446 if(partialProb <= partSum)
427 { << 447 {
428 provShellId = aShell->OriginatingShellId << 448 provShellId = aShell->OriginatingShellId(transProb);
429 break; << 449 //fluoTransitionFoundFlag = true;
430 } << 450
431 ++transProb; << 451 break;
>> 452 }
>> 453 transProb++;
432 } 454 }
>> 455
433 // here provShellId is the right one or 456 // here provShellId is the right one or is -1.
434 // if -1, the control is passed to the A 457 // if -1, the control is passed to the Auger generation part of the package
435 } 458 }
436 else 459 else
437 { 460 {
438 provShellId = -1; 461 provShellId = -1;
439 } 462 }
>> 463 //G4cout << "FlagTransition= " << provShellId << " ecut(MeV)= " << minElectronEnergy
>> 464 // << " gcut(MeV)= " << minGammaEnergy << G4endl;
440 return provShellId; 465 return provShellId;
441 } 466 }
442 467
443 //....oooOO0OOooo........oooOO0OOooo........oo <<
444 <<
445 G4DynamicParticle* 468 G4DynamicParticle*
446 G4UAtomicDeexcitation::GenerateFluorescence(G4 469 G4UAtomicDeexcitation::GenerateFluorescence(G4int Z, G4int shellId,
447 G4int provShellId ) 470 G4int provShellId )
448 { 471 {
>> 472
>> 473 //if(!IsDeexActive()) { return 0; }
>> 474
449 if (shellId <=0 ) 475 if (shellId <=0 )
>> 476
450 { 477 {
451 return nullptr; << 478 G4Exception("G4UAtomicDeexcitation::GenerateFluorescence()","de0002",JustWarning, "Energy deposited locally");
>> 479 return 0;
452 } 480 }
>> 481
453 482
454 //isotropic angular distribution for the out 483 //isotropic angular distribution for the outcoming photon
455 G4double newcosTh = 1.-2.*G4UniformRand(); 484 G4double newcosTh = 1.-2.*G4UniformRand();
456 G4double newsinTh = std::sqrt((1.-newcosTh)* 485 G4double newsinTh = std::sqrt((1.-newcosTh)*(1. + newcosTh));
457 G4double newPhi = twopi*G4UniformRand(); 486 G4double newPhi = twopi*G4UniformRand();
458 487
459 G4double xDir = newsinTh*std::sin(newPhi); 488 G4double xDir = newsinTh*std::sin(newPhi);
460 G4double yDir = newsinTh*std::cos(newPhi); 489 G4double yDir = newsinTh*std::cos(newPhi);
461 G4double zDir = newcosTh; 490 G4double zDir = newcosTh;
462 491
463 G4ThreeVector newGammaDirection(xDir,yDir,zD 492 G4ThreeVector newGammaDirection(xDir,yDir,zDir);
464 493
465 G4int shellNum = 0; 494 G4int shellNum = 0;
466 G4int maxNumOfShells = transitionManager->Nu 495 G4int maxNumOfShells = transitionManager->NumberOfReachableShells(Z);
467 496
468 // find the index of the shell named shellId 497 // find the index of the shell named shellId
469 while (shellId != transitionManager-> 498 while (shellId != transitionManager->
470 ReachableShell(Z,shellNum)->FinalShellId()) 499 ReachableShell(Z,shellNum)->FinalShellId())
471 { 500 {
472 if(shellNum == maxNumOfShells-1) 501 if(shellNum == maxNumOfShells-1)
473 { 502 {
474 break; 503 break;
475 } 504 }
476 ++shellNum; << 505 shellNum++;
477 } 506 }
478 // number of shell from wich an electron can 507 // number of shell from wich an electron can reach shellId
479 G4int transitionSize = (G4int)transitionMana << 508 size_t transitionSize = transitionManager->
480 ReachableShell(Z,shellNum)->OriginatingShe 509 ReachableShell(Z,shellNum)->OriginatingShellIds().size();
481 510
482 G4int index = 0; << 511 size_t index = 0;
483 512
484 // find the index of the shell named provShe 513 // find the index of the shell named provShellId in the vector
485 // storing the shells from which shellId can 514 // storing the shells from which shellId can be reached
486 while (provShellId != transitionManager-> 515 while (provShellId != transitionManager->
487 ReachableShell(Z,shellNum)->OriginatingShel 516 ReachableShell(Z,shellNum)->OriginatingShellId(index))
488 { 517 {
489 if(index == transitionSize-1) 518 if(index == transitionSize-1)
490 { 519 {
491 break; 520 break;
492 } 521 }
493 ++index; << 522 index++;
494 } 523 }
495 // energy of the gamma leaving provShellId f 524 // energy of the gamma leaving provShellId for shellId
496 G4double transitionEnergy = transitionManage 525 G4double transitionEnergy = transitionManager->
497 ReachableShell(Z,shellNum)->TransitionEner 526 ReachableShell(Z,shellNum)->TransitionEnergy(index);
498 527
499 if (transitionEnergy < minGammaEnergy) retur << 528 if (transitionEnergy < minGammaEnergy) return 0;
500 529
501 // This is the shell where the new vacancy i 530 // This is the shell where the new vacancy is: it is the same
502 // shell where the electron came from 531 // shell where the electron came from
503 newShellId = transitionManager-> 532 newShellId = transitionManager->
504 ReachableShell(Z,shellNum)->OriginatingShe 533 ReachableShell(Z,shellNum)->OriginatingShellId(index);
505 << 534
>> 535
506 G4DynamicParticle* newPart = new G4DynamicPa 536 G4DynamicParticle* newPart = new G4DynamicParticle(G4Gamma::Gamma(),
507 newGammaDirection, 537 newGammaDirection,
508 transitionEnergy); 538 transitionEnergy);
509 <<
510 //Auger cascade by Burkhant Suerfu on March <<
511 if (IsAugerCascadeActive()) vacancyArray.pus <<
512 <<
513 return newPart; 539 return newPart;
514 } 540 }
515 541
516 //....oooOO0OOooo........oooOO0OOooo........oo <<
517 <<
518 G4DynamicParticle* G4UAtomicDeexcitation::Gene 542 G4DynamicParticle* G4UAtomicDeexcitation::GenerateAuger(G4int Z, G4int shellId)
519 { 543 {
520 if(!IsAugerActive()) { 544 if(!IsAugerActive()) {
521 // G4cout << "auger inactive!" << G4end 545 // G4cout << "auger inactive!" << G4endl; //debug
522 return nullptr; << 546 return 0;
523 } 547 }
524 548
525 if (shellId <=0 ) { 549 if (shellId <=0 ) {
526 //G4Exception("G4UAtomicDeexcitation::Gene << 550
527 // JustWarning, "Energy deposited local << 551
528 return nullptr; << 552 G4Exception("G4UAtomicDeexcitation::GenerateAuger()","de0002",JustWarning, "Energy deposited locally");
>> 553
>> 554 return 0;
>> 555
529 } 556 }
530 557
>> 558 // G4int provShellId = -1;
531 G4int maxNumOfShells = transitionManager->Nu 559 G4int maxNumOfShells = transitionManager->NumberOfReachableAugerShells(Z);
532 560
533 const G4AugerTransition* refAugerTransition 561 const G4AugerTransition* refAugerTransition =
534 transitionManager->ReachableAugerShell(Z,m << 562 transitionManager->ReachableAugerShell(Z,maxNumOfShells-1);
535 563
536 // This loop gives to shellNum the value of 564 // This loop gives to shellNum the value of the index of shellId
537 // in the vector storing the list of the vac 565 // in the vector storing the list of the vacancies in the variuos shells
538 // that can originate a NON-radiative transi 566 // that can originate a NON-radiative transition
>> 567
539 G4int shellNum = 0; 568 G4int shellNum = 0;
540 << 569
541 if ( shellId <= refAugerTransition->FinalShe 570 if ( shellId <= refAugerTransition->FinalShellId() )
542 // "FinalShellId" is final from the point << 571 //"FinalShellId" is final from the point of view of the elctron who makes the transition,
543 // who makes the transition, <<
544 // being the Id of the shell in which ther 572 // being the Id of the shell in which there is a vacancy
545 { 573 {
546 G4int pippo = transitionManager->Reachab 574 G4int pippo = transitionManager->ReachableAugerShell(Z,shellNum)->FinalShellId();
547 if (shellId != pippo ) { << 575 if (shellId != pippo ) {
548 do { 576 do {
549 ++shellNum; << 577 shellNum++;
550 if(shellNum == maxNumOfShells) 578 if(shellNum == maxNumOfShells)
551 { 579 {
552 // G4cout << "No Auger transition foun << 580 // G4cout << "No Auger transition found" << G4endl; //debug
553 return 0; 581 return 0;
554 } 582 }
555 } 583 }
556 while (shellId != (transitionManager->Reacha << 584 while (shellId != (transitionManager->ReachableAugerShell(Z,shellNum)->FinalShellId()) ) ;
557 } 585 }
558 586
>> 587
559 // Now we have that shellnum is the shel 588 // Now we have that shellnum is the shellIndex of the shell named ShellId
>> 589
560 // G4cout << " the index of the she 590 // G4cout << " the index of the shell is: "<<shellNum<<G4endl;
>> 591
561 // But we have now to select two shells: 592 // But we have now to select two shells: one for the transition,
562 // and another for the auger emission. 593 // and another for the auger emission.
>> 594
563 G4int transitionLoopShellIndex = 0; 595 G4int transitionLoopShellIndex = 0;
564 G4double partSum = 0; 596 G4double partSum = 0;
565 const G4AugerTransition* anAugerTransiti 597 const G4AugerTransition* anAugerTransition =
566 transitionManager->ReachableAugerShell(Z,she << 598 transitionManager->ReachableAugerShell(Z,shellNum);
>> 599
>> 600 // G4cout << " corresponding to the ID: "<< anAugerTransition->FinalShellId() << G4endl;
567 601
568 G4int transitionSize = (G4int) << 602
569 (anAugerTransition->TransitionOriginatingShe << 603 G4int transitionSize =
>> 604 (anAugerTransition->TransitionOriginatingShellIds())->size();
570 while (transitionLoopShellIndex < transi 605 while (transitionLoopShellIndex < transitionSize) {
571 606
572 std::vector<G4int>::const_iterator pos 607 std::vector<G4int>::const_iterator pos =
573 anAugerTransition->TransitionOriginatingSh << 608 anAugerTransition->TransitionOriginatingShellIds()->begin();
574 609
575 G4int transitionLoopShellId = *(pos+tr 610 G4int transitionLoopShellId = *(pos+transitionLoopShellIndex);
576 G4int numberOfPossibleAuger = (G4int) << 611 G4int numberOfPossibleAuger =
577 (anAugerTransition->AugerTransitionProbabi << 612 (anAugerTransition->AugerTransitionProbabilities(transitionLoopShellId))->size();
578 G4int augerIndex = 0; 613 G4int augerIndex = 0;
579 << 614 // G4int partSum2 = 0;
>> 615
>> 616
580 if (augerIndex < numberOfPossibleAuger) { 617 if (augerIndex < numberOfPossibleAuger) {
>> 618
581 do 619 do
582 { 620 {
583 G4double thisProb = anAugerTransition- 621 G4double thisProb = anAugerTransition->AugerTransitionProbability(augerIndex,
584 transitionLoopShellId); 622 transitionLoopShellId);
585 partSum += thisProb; 623 partSum += thisProb;
586 augerIndex++; 624 augerIndex++;
587 625
588 } while (augerIndex < numberOfPossibleAu 626 } while (augerIndex < numberOfPossibleAuger);
589 } << 627 }
590 ++transitionLoopShellIndex; << 628 transitionLoopShellIndex++;
591 } 629 }
592 << 630
>> 631
>> 632
>> 633 // Now we have the entire probability of an auger transition for the vacancy
>> 634 // located in shellNum (index of shellId)
>> 635
>> 636 // AM *********************** F I X E D **************************** AM
>> 637 // Here we duplicate the previous loop, this time looking to the sum of the probabilities
>> 638 // to be under the random number shoot by G4 UniformRdandom. This could have been done in the
>> 639 // previuos loop, while integrating the probabilities. There is a bug that will be fixed
>> 640 // 5 minutes from now: a line:
>> 641 // G4int numberOfPossibleAuger = (anAugerTransition->
>> 642 // AugerTransitionProbabilities(transitionLoopShellId))->size();
>> 643 // to be inserted.
>> 644 // AM *********************** F I X E D **************************** AM
>> 645
>> 646 // Remains to get the same result with a single loop.
>> 647
>> 648 // AM *********************** F I X E D **************************** AM
>> 649 // Another Bug: in EADL Auger Transition are normalized to all the transitions deriving from
>> 650 // a vacancy in one shell, but not all of these are present in data tables. So if a transition
>> 651 // doesn't occur in the main one a local energy deposition must occur, instead of (like now)
>> 652 // generating the last transition present in EADL data.
>> 653 // AM *********************** F I X E D **************************** AM
>> 654
>> 655
593 G4double totalVacancyAugerProbability = 656 G4double totalVacancyAugerProbability = partSum;
594 657
>> 658
595 //And now we start to select the right a 659 //And now we start to select the right auger transition and emission
596 G4int transitionRandomShellIndex = 0; 660 G4int transitionRandomShellIndex = 0;
597 G4int transitionRandomShellId = 1; 661 G4int transitionRandomShellId = 1;
598 G4int augerIndex = 0; 662 G4int augerIndex = 0;
599 partSum = 0; 663 partSum = 0;
600 G4double partialProb = G4UniformRand(); 664 G4double partialProb = G4UniformRand();
>> 665 // G4int augerOriginatingShellId = 0;
>> 666
>> 667 G4int numberOfPossibleAuger = 0;
601 668
602 G4int numberOfPossibleAuger = 0; <<
603 G4bool foundFlag = false; 669 G4bool foundFlag = false;
604 670
605 while (transitionRandomShellIndex < tran 671 while (transitionRandomShellIndex < transitionSize) {
606 672
607 std::vector<G4int>::const_iterator pos 673 std::vector<G4int>::const_iterator pos =
608 anAugerTransition->TransitionOriginatingSh << 674 anAugerTransition->TransitionOriginatingShellIds()->begin();
609 675
610 transitionRandomShellId = *(pos+transi 676 transitionRandomShellId = *(pos+transitionRandomShellIndex);
611 677
612 augerIndex = 0; 678 augerIndex = 0;
613 numberOfPossibleAuger = (G4int)(anAugerTrans << 679 numberOfPossibleAuger = (anAugerTransition->
614 AugerTransitionProbabilities(transiti 680 AugerTransitionProbabilities(transitionRandomShellId))->size();
615 681
616 while (augerIndex < numberOfPossibleAu 682 while (augerIndex < numberOfPossibleAuger) {
617 G4double thisProb =anAugerTransition->Auge 683 G4double thisProb =anAugerTransition->AugerTransitionProbability(augerIndex,
618 transitionRandomShellId); 684 transitionRandomShellId);
619 685
620 partSum += thisProb; 686 partSum += thisProb;
621 687
622 if (partSum >= (partialProb*totalVac 688 if (partSum >= (partialProb*totalVacancyAugerProbability) ) { // was /
623 foundFlag = true; 689 foundFlag = true;
624 break; 690 break;
625 } 691 }
626 augerIndex++; 692 augerIndex++;
627 } 693 }
628 if (partSum >= (partialProb*totalVacan 694 if (partSum >= (partialProb*totalVacancyAugerProbability) ) {break;} // was /
629 ++transitionRandomShellIndex; << 695 transitionRandomShellIndex++;
630 } 696 }
631 697
632 // Now we have the index of the shell fr 698 // Now we have the index of the shell from wich comes the auger electron (augerIndex),
633 // and the id of the shell, from which t 699 // and the id of the shell, from which the transition e- come (transitionRandomShellid)
634 // If no Transition has been found, 0 is 700 // If no Transition has been found, 0 is returned.
>> 701
635 if (!foundFlag) { 702 if (!foundFlag) {
636 return nullptr; << 703 // G4cout << "Auger not found (foundflag = false) " << G4endl; //debug
637 } << 704 return 0;
>> 705
>> 706 }
638 707
639 // Isotropic angular distribution for th 708 // Isotropic angular distribution for the outcoming e-
640 G4double newcosTh = 1.-2.*G4UniformRand( 709 G4double newcosTh = 1.-2.*G4UniformRand();
641 G4double newsinTh = std::sqrt(1.-newcosT << 710 G4double newsinTh = std::sqrt(1.-newcosTh*newcosTh);
642 G4double newPhi = twopi*G4UniformRand(); 711 G4double newPhi = twopi*G4UniformRand();
643 712
644 G4double xDir = newsinTh*std::sin(newPhi << 713 G4double xDir = newsinTh*std::sin(newPhi);
645 G4double yDir = newsinTh*std::cos(newPhi 714 G4double yDir = newsinTh*std::cos(newPhi);
646 G4double zDir = newcosTh; 715 G4double zDir = newcosTh;
647 716
648 G4ThreeVector newElectronDirection(xDir, 717 G4ThreeVector newElectronDirection(xDir,yDir,zDir);
649 718
650 // energy of the auger electron emitted << 719 // energy of the auger electron emitted
651 G4double transitionEnergy = << 720
652 anAugerTransition->AugerTransitionEnergy(aug << 721
>> 722 G4double transitionEnergy = anAugerTransition->AugerTransitionEnergy(augerIndex, transitionRandomShellId);
>> 723 /*
>> 724 G4cout << "AUger TransitionId " << anAugerTransition->FinalShellId() << G4endl;
>> 725 G4cout << "augerIndex: " << augerIndex << G4endl;
>> 726 G4cout << "transitionShellId: " << transitionRandomShellId << G4endl;
>> 727 */
653 728
654 if (transitionEnergy < minElectronEnergy 729 if (transitionEnergy < minElectronEnergy) {
655 return nullptr; << 730 // G4cout << "Problem! (transitionEnergy < minElectronEnergy)" << G4endl; // debug
>> 731 // G4cout << "minElectronEnergy(KeV): " << minElectronEnergy/keV << G4endl; // debug
>> 732 // G4cout << "transitionEnergy(KeV): " << transitionEnergy/keV << G4endl; // debug
>> 733 return 0;
656 } 734 }
657 735
658 // This is the shell where the new vacan 736 // This is the shell where the new vacancy is: it is the same
659 // shell where the electron came from 737 // shell where the electron came from
660 newShellId = transitionRandomShellId; 738 newShellId = transitionRandomShellId;
661 739
662 //Auger cascade by Burkhant Suerfu on Ma <<
663 if (IsAugerCascadeActive()) <<
664 { <<
665 vacancyArray.push_back(newShellId); <<
666 vacancyArray.push_back(anAugerTransition-> <<
667 } <<
668 <<
669 return new G4DynamicParticle(G4Electron: 740 return new G4DynamicParticle(G4Electron::Electron(),
670 newElectronDirection, 741 newElectronDirection,
671 transitionEnergy); 742 transitionEnergy);
672 } 743 }
673 else 744 else
674 { 745 {
675 return nullptr; << 746 // G4cout << "G4UAtomicDeexcitation: no auger transition found" << G4endl ;
>> 747 // G4cout << "( shellId <= refAugerTransition->FinalShellId() )" << G4endl;
>> 748 return 0;
676 } 749 }
677 } 750 }
678 751