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25 // 25 //
>> 26 // $Id$
>> 27 // GEANT4 tag $Name: $
26 // 28 //
27 29
28 #include "G4DNAMillerGreenExcitationModel.hh" 30 #include "G4DNAMillerGreenExcitationModel.hh"
29 #include "G4SystemOfUnits.hh" 31 #include "G4SystemOfUnits.hh"
30 #include "G4DNAChemistryManager.hh" 32 #include "G4DNAChemistryManager.hh"
31 #include "G4DNAMolecularMaterial.hh" 33 #include "G4DNAMolecularMaterial.hh"
32 #include "G4Exp.hh" <<
33 #include "G4Pow.hh" <<
34 #include "G4Alpha.hh" <<
35 34
36 static G4Pow * gpow = G4Pow::GetInstance(); <<
37 //....oooOO0OOooo........oooOO0OOooo........oo 35 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo....
38 36
39 using namespace std; 37 using namespace std;
40 38
41 //....oooOO0OOooo........oooOO0OOooo........oo 39 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo....
42 40
43 G4DNAMillerGreenExcitationModel::G4DNAMillerGr 41 G4DNAMillerGreenExcitationModel::G4DNAMillerGreenExcitationModel(const G4ParticleDefinition*,
44 42 const G4String& nam)
45 :G4VEmModel(nam) << 43 :G4VEmModel(nam),isInitialised(false)
46 { 44 {
47 fpMolWaterDensity = nullptr; << 45 // nistwater = G4NistManager::Instance()->FindOrBuildMaterial("G4_WATER");
>> 46 fpMolWaterDensity = 0;
48 47
49 nLevels=0; << 48 nLevels=0;
50 kineticEnergyCorrection[0]=0.; << 49 kineticEnergyCorrection[0]=0.;
51 kineticEnergyCorrection[1]=0.; << 50 kineticEnergyCorrection[1]=0.;
52 kineticEnergyCorrection[2]=0.; << 51 kineticEnergyCorrection[2]=0.;
53 kineticEnergyCorrection[3]=0.; << 52 kineticEnergyCorrection[3]=0.;
54 << 53
55 verboseLevel= 0; << 54 verboseLevel= 0;
56 // Verbosity scale: << 55 // Verbosity scale:
57 // 0 = nothing << 56 // 0 = nothing
58 // 1 = warning for energy non-conservation << 57 // 1 = warning for energy non-conservation
59 // 2 = details of energy budget << 58 // 2 = details of energy budget
60 // 3 = calculation of cross sections, file o << 59 // 3 = calculation of cross sections, file openings, sampling of atoms
61 // 4 = entering in methods << 60 // 4 = entering in methods
62 61
63 if( verboseLevel>0 ) << 62 if( verboseLevel>0 )
64 { << 63 {
65 G4cout << "Miller & Green excitation model << 64 G4cout << "Miller & Green excitation model is constructed " << G4endl;
66 } << 65 }
67 fParticleChangeForGamma = nullptr; << 66 fParticleChangeForGamma = 0;
68 <<
69 // Selection of stationary mode <<
70 <<
71 statCode = false; <<
72 } 67 }
73 68
74 //....oooOO0OOooo........oooOO0OOooo........oo 69 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo....
75 70
76 G4DNAMillerGreenExcitationModel::~G4DNAMillerG 71 G4DNAMillerGreenExcitationModel::~G4DNAMillerGreenExcitationModel()
77 = default; << 72 {}
78 73
79 //....oooOO0OOooo........oooOO0OOooo........oo 74 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo....
80 75
81 void G4DNAMillerGreenExcitationModel::Initiali 76 void G4DNAMillerGreenExcitationModel::Initialise(const G4ParticleDefinition* particle,
82 77 const G4DataVector& /*cuts*/)
83 { 78 {
84 79
85 if (verboseLevel > 3) << 80 if (verboseLevel > 3)
86 G4cout << "Calling G4DNAMillerGreenExcitat << 81 G4cout << "Calling G4DNAMillerGreenExcitationModel::Initialise()" << G4endl;
87 82
88 // Energy limits << 83 // Energy limits
89 84
90 G4DNAGenericIonsManager *instance; << 85 G4DNAGenericIonsManager *instance;
91 instance = G4DNAGenericIonsManager::Instance << 86 instance = G4DNAGenericIonsManager::Instance();
92 protonDef = G4Proton::ProtonDefinition(); << 87 G4ParticleDefinition* protonDef = G4Proton::ProtonDefinition();
93 hydrogenDef = instance->GetIon("hydrogen"); << 88 G4ParticleDefinition* hydrogenDef = instance->GetIon("hydrogen");
94 alphaPlusPlusDef = G4Alpha::Alpha(); << 89 G4ParticleDefinition* alphaPlusPlusDef = instance->GetIon("alpha++");
95 alphaPlusDef = instance->GetIon("alpha+"); << 90 G4ParticleDefinition* alphaPlusDef = instance->GetIon("alpha+");
96 heliumDef = instance->GetIon("helium"); << 91 G4ParticleDefinition* heliumDef = instance->GetIon("helium");
97 << 92
98 G4String proton; << 93 G4String proton;
99 G4String hydrogen; << 94 G4String hydrogen;
100 G4String alphaPlusPlus; << 95 G4String alphaPlusPlus;
101 G4String alphaPlus; << 96 G4String alphaPlus;
102 G4String helium; << 97 G4String helium;
103 << 98
104 // LIMITS AND CONSTANTS << 99 // LIMITS AND CONSTANTS
105 << 100
106 proton = protonDef->GetParticleName(); << 101 proton = protonDef->GetParticleName();
107 lowEnergyLimit[proton] = 10. * eV; << 102 lowEnergyLimit[proton] = 10. * eV;
108 highEnergyLimit[proton] = 500. * keV; << 103 highEnergyLimit[proton] = 500. * keV;
109 << 104
110 kineticEnergyCorrection[0] = 1.; << 105 kineticEnergyCorrection[0] = 1.;
111 slaterEffectiveCharge[0][0] = 0.; << 106 slaterEffectiveCharge[0][0] = 0.;
112 slaterEffectiveCharge[1][0] = 0.; << 107 slaterEffectiveCharge[1][0] = 0.;
113 slaterEffectiveCharge[2][0] = 0.; << 108 slaterEffectiveCharge[2][0] = 0.;
114 sCoefficient[0][0] = 0.; << 109 sCoefficient[0][0] = 0.;
115 sCoefficient[1][0] = 0.; << 110 sCoefficient[1][0] = 0.;
116 sCoefficient[2][0] = 0.; << 111 sCoefficient[2][0] = 0.;
117 << 112
118 hydrogen = hydrogenDef->GetParticleName(); << 113 hydrogen = hydrogenDef->GetParticleName();
119 lowEnergyLimit[hydrogen] = 10. * eV; << 114 lowEnergyLimit[hydrogen] = 10. * eV;
120 highEnergyLimit[hydrogen] = 500. * keV; << 115 highEnergyLimit[hydrogen] = 500. * keV;
121 << 116
122 kineticEnergyCorrection[0] = 1.; << 117 kineticEnergyCorrection[0] = 1.;
123 slaterEffectiveCharge[0][0] = 0.; << 118 slaterEffectiveCharge[0][0] = 0.;
124 slaterEffectiveCharge[1][0] = 0.; << 119 slaterEffectiveCharge[1][0] = 0.;
125 slaterEffectiveCharge[2][0] = 0.; << 120 slaterEffectiveCharge[2][0] = 0.;
126 sCoefficient[0][0] = 0.; << 121 sCoefficient[0][0] = 0.;
127 sCoefficient[1][0] = 0.; << 122 sCoefficient[1][0] = 0.;
128 sCoefficient[2][0] = 0.; << 123 sCoefficient[2][0] = 0.;
129 << 124
130 alphaPlusPlus = alphaPlusPlusDef->GetParticl << 125 alphaPlusPlus = alphaPlusPlusDef->GetParticleName();
131 lowEnergyLimit[alphaPlusPlus] = 1. * keV; << 126 lowEnergyLimit[alphaPlusPlus] = 1. * keV;
132 highEnergyLimit[alphaPlusPlus] = 400. * MeV; << 127 highEnergyLimit[alphaPlusPlus] = 400. * MeV;
133 << 128
134 kineticEnergyCorrection[1] = 0.9382723/3.727 << 129 kineticEnergyCorrection[1] = 0.9382723/3.727417;
135 slaterEffectiveCharge[0][1]=0.; << 130 slaterEffectiveCharge[0][1]=0.;
136 slaterEffectiveCharge[1][1]=0.; << 131 slaterEffectiveCharge[1][1]=0.;
137 slaterEffectiveCharge[2][1]=0.; << 132 slaterEffectiveCharge[2][1]=0.;
138 sCoefficient[0][1]=0.; << 133 sCoefficient[0][1]=0.;
139 sCoefficient[1][1]=0.; << 134 sCoefficient[1][1]=0.;
140 sCoefficient[2][1]=0.; << 135 sCoefficient[2][1]=0.;
141 << 136
142 alphaPlus = alphaPlusDef->GetParticleName(); << 137 alphaPlus = alphaPlusDef->GetParticleName();
143 lowEnergyLimit[alphaPlus] = 1. * keV; << 138 lowEnergyLimit[alphaPlus] = 1. * keV;
144 highEnergyLimit[alphaPlus] = 400. * MeV; << 139 highEnergyLimit[alphaPlus] = 400. * MeV;
145 << 140
146 kineticEnergyCorrection[2] = 0.9382723/3.727 << 141 kineticEnergyCorrection[2] = 0.9382723/3.727417;
147 slaterEffectiveCharge[0][2]=2.0; << 142 slaterEffectiveCharge[0][2]=2.0;
148 << 143
149 // Following values provided by M. Dingfelde << 144 // Following values provided by M. Dingfelder
150 slaterEffectiveCharge[1][2]=2.00; << 145 slaterEffectiveCharge[1][2]=2.00;
151 slaterEffectiveCharge[2][2]=2.00; << 146 slaterEffectiveCharge[2][2]=2.00;
152 // << 147 //
153 sCoefficient[0][2]=0.7; << 148 sCoefficient[0][2]=0.7;
154 sCoefficient[1][2]=0.15; << 149 sCoefficient[1][2]=0.15;
155 sCoefficient[2][2]=0.15; << 150 sCoefficient[2][2]=0.15;
156 << 151
157 helium = heliumDef->GetParticleName(); << 152 helium = heliumDef->GetParticleName();
158 lowEnergyLimit[helium] = 1. * keV; << 153 lowEnergyLimit[helium] = 1. * keV;
159 highEnergyLimit[helium] = 400. * MeV; << 154 highEnergyLimit[helium] = 400. * MeV;
160 << 155
161 kineticEnergyCorrection[3] = 0.9382723/3.727 << 156 kineticEnergyCorrection[3] = 0.9382723/3.727417;
162 slaterEffectiveCharge[0][3]=1.7; << 157 slaterEffectiveCharge[0][3]=1.7;
163 slaterEffectiveCharge[1][3]=1.15; << 158 slaterEffectiveCharge[1][3]=1.15;
164 slaterEffectiveCharge[2][3]=1.15; << 159 slaterEffectiveCharge[2][3]=1.15;
165 sCoefficient[0][3]=0.5; << 160 sCoefficient[0][3]=0.5;
166 sCoefficient[1][3]=0.25; << 161 sCoefficient[1][3]=0.25;
167 sCoefficient[2][3]=0.25; << 162 sCoefficient[2][3]=0.25;
168 163
169 // << 164 //
170 165
171 if (particle==protonDef) << 166 if (particle==protonDef)
172 { << 167 {
173 SetLowEnergyLimit(lowEnergyLimit[proton]); << 168 SetLowEnergyLimit(lowEnergyLimit[proton]);
174 SetHighEnergyLimit(highEnergyLimit[proton] << 169 SetHighEnergyLimit(highEnergyLimit[proton]);
175 } << 170 }
176 171
177 if (particle==hydrogenDef) << 172 if (particle==hydrogenDef)
178 { << 173 {
179 SetLowEnergyLimit(lowEnergyLimit[hydrogen] << 174 SetLowEnergyLimit(lowEnergyLimit[hydrogen]);
180 SetHighEnergyLimit(highEnergyLimit[hydroge << 175 SetHighEnergyLimit(highEnergyLimit[hydrogen]);
181 } << 176 }
182 177
183 if (particle==alphaPlusPlusDef) << 178 if (particle==alphaPlusPlusDef)
184 { << 179 {
185 SetLowEnergyLimit(lowEnergyLimit[alphaPlus << 180 SetLowEnergyLimit(lowEnergyLimit[alphaPlusPlus]);
186 SetHighEnergyLimit(highEnergyLimit[alphaPl << 181 SetHighEnergyLimit(highEnergyLimit[alphaPlusPlus]);
187 } << 182 }
188 183
189 if (particle==alphaPlusDef) << 184 if (particle==alphaPlusDef)
190 { << 185 {
191 SetLowEnergyLimit(lowEnergyLimit[alphaPlus << 186 SetLowEnergyLimit(lowEnergyLimit[alphaPlus]);
192 SetHighEnergyLimit(highEnergyLimit[alphaPl << 187 SetHighEnergyLimit(highEnergyLimit[alphaPlus]);
193 } << 188 }
194 189
195 if (particle==heliumDef) << 190 if (particle==heliumDef)
196 { << 191 {
197 SetLowEnergyLimit(lowEnergyLimit[helium]); << 192 SetLowEnergyLimit(lowEnergyLimit[helium]);
198 SetHighEnergyLimit(highEnergyLimit[helium] << 193 SetHighEnergyLimit(highEnergyLimit[helium]);
199 } << 194 }
200 195
201 // << 196 //
202 197
203 nLevels = waterExcitation.NumberOfLevels(); << 198 nLevels = waterExcitation.NumberOfLevels();
204 199
205 // << 200 //
206 if( verboseLevel>0 ) << 201 if( verboseLevel>0 )
207 { << 202 {
208 G4cout << "Miller & Green excitation model << 203 G4cout << "Miller & Green excitation model is initialized " << G4endl
209 << "Energy range: " << 204 << "Energy range: "
210 << LowEnergyLimit() / eV << " eV - << 205 << LowEnergyLimit() / eV << " eV - "
211 << HighEnergyLimit() / keV << " keV << 206 << HighEnergyLimit() / keV << " keV for "
212 << particle->GetParticleName() << 207 << particle->GetParticleName()
213 << G4endl; << 208 << G4endl;
214 } << 209 }
215 210
216 // Initialize water density pointer << 211 // Initialize water density pointer
217 fpMolWaterDensity = G4DNAMolecularMaterial:: << 212 fpMolWaterDensity = G4DNAMolecularMaterial::Instance()->GetNumMolPerVolTableFor(G4Material::GetMaterial("G4_WATER"));
218 213
219 if (isInitialised) { return; } << 214 if (isInitialised) { return; }
220 fParticleChangeForGamma = GetParticleChangeF << 215 fParticleChangeForGamma = GetParticleChangeForGamma();
221 isInitialised = true; << 216 isInitialised = true;
222 217
223 } 218 }
224 219
225 //....oooOO0OOooo........oooOO0OOooo........oo 220 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo....
226 221
227 G4double G4DNAMillerGreenExcitationModel::Cros 222 G4double G4DNAMillerGreenExcitationModel::CrossSectionPerVolume(const G4Material* material,
228 223 const G4ParticleDefinition* particleDefinition,
229 224 G4double k,
230 225 G4double,
231 226 G4double)
232 { 227 {
233 if (verboseLevel > 3) << 228 if (verboseLevel > 3)
234 G4cout << "Calling CrossSectionPerVolume() << 229 G4cout << "Calling CrossSectionPerVolume() of G4DNAMillerGreenExcitationModel" << G4endl;
235 230
236 // Calculate total cross section for model << 231 // Calculate total cross section for model
237 232
238 if ( << 233 G4DNAGenericIonsManager *instance;
239 particleDefinition != protonDef << 234 instance = G4DNAGenericIonsManager::Instance();
240 && <<
241 particleDefinition != hydrogenDef <<
242 && <<
243 particleDefinition != alphaPlusPlusDef <<
244 && <<
245 particleDefinition != alphaPlusDef <<
246 && <<
247 particleDefinition != heliumDef <<
248 ) <<
249 <<
250 return 0; <<
251 <<
252 G4double lowLim = 0; <<
253 G4double highLim = 0; <<
254 G4double crossSection = 0.; <<
255 <<
256 G4double waterDensity = (*fpMolWaterDensity) <<
257 <<
258 const G4String& particleName = particleDefin <<
259 235
260 std::map< G4String,G4double,std::less<G4Stri << 236 if (
261 pos1 = lowEnergyLimit.find(particleName); << 237 particleDefinition != G4Proton::ProtonDefinition()
>> 238 &&
>> 239 particleDefinition != instance->GetIon("hydrogen")
>> 240 &&
>> 241 particleDefinition != instance->GetIon("alpha++")
>> 242 &&
>> 243 particleDefinition != instance->GetIon("alpha+")
>> 244 &&
>> 245 particleDefinition != instance->GetIon("helium")
>> 246 )
>> 247
>> 248 return 0;
>> 249
>> 250 G4double lowLim = 0;
>> 251 G4double highLim = 0;
>> 252 G4double crossSection = 0.;
262 253
263 if (pos1 != lowEnergyLimit.end()) << 254 G4double waterDensity = (*fpMolWaterDensity)[material->GetIndex()];
264 { <<
265 lowLim = pos1->second; <<
266 } <<
267 <<
268 std::map< G4String,G4double,std::less<G4Stri <<
269 pos2 = highEnergyLimit.find(particleName); <<
270 255
271 if (pos2 != highEnergyLimit.end()) << 256 if(waterDensity!= 0.0)
272 { << 257 // if (material == nistwater || material->GetBaseMaterial() == nistwater)
273 highLim = pos2->second; << 258 {
274 } << 259 // G4cout << "WATER DENSITY = " << waterDensity*G4Material::GetMaterial("G4_WATER")->GetMassOfMolecule()/(g/cm3)
275 << 260 // << G4endl;
276 if (k >= lowLim && k <= highLim) << 261 const G4String& particleName = particleDefinition->GetParticleName();
277 { << 262
278 crossSection = Sum(k,particleDefinition); << 263 std::map< G4String,G4double,std::less<G4String> >::iterator pos1;
279 << 264 pos1 = lowEnergyLimit.find(particleName);
280 // add ONE or TWO electron-water excitatio << 265
281 /* << 266 if (pos1 != lowEnergyLimit.end())
282 if ( particleDefinition == alphaPlusDef << 267 {
>> 268 lowLim = pos1->second;
>> 269 }
>> 270
>> 271 std::map< G4String,G4double,std::less<G4String> >::iterator pos2;
>> 272 pos2 = highEnergyLimit.find(particleName);
>> 273
>> 274 if (pos2 != highEnergyLimit.end())
>> 275 {
>> 276 highLim = pos2->second;
>> 277 }
>> 278
>> 279 if (k >= lowLim && k < highLim)
>> 280 {
>> 281 crossSection = Sum(k,particleDefinition);
>> 282
>> 283 // add ONE or TWO electron-water excitation for alpha+ and helium
>> 284 /*
>> 285 if ( particleDefinition == instance->GetIon("alpha+")
283 || 286 ||
284 particleDefinition == heliumDef << 287 particleDefinition == instance->GetIon("helium")
285 ) 288 )
286 { 289 {
287 290
288 G4DNAEmfietzoglouExcitationModel * excit 291 G4DNAEmfietzoglouExcitationModel * excitationXS = new G4DNAEmfietzoglouExcitationModel();
289 excitationXS->Initialise(G4Electron: 292 excitationXS->Initialise(G4Electron::ElectronDefinition());
290 293
291 G4double sigmaExcitation=0; 294 G4double sigmaExcitation=0;
292 G4double tmp =0.; 295 G4double tmp =0.;
293 296
294 if (k*0.511/3728 > 8.23*eV && k*0.511/37 297 if (k*0.511/3728 > 8.23*eV && k*0.511/3728 < 10*MeV ) sigmaExcitation =
295 excitationXS->CrossSectionPerVolume(ma 298 excitationXS->CrossSectionPerVolume(material,G4Electron::ElectronDefinition(),k*0.511/3728,tmp,tmp)
296 /material->GetAtomicNumDensityVector() 299 /material->GetAtomicNumDensityVector()[1];
297 300
298 if ( particleDefinition == alphaPlusDef << 301 if ( particleDefinition == instance->GetIon("alpha+") )
299 crossSection = crossSection + sigmaEx 302 crossSection = crossSection + sigmaExcitation ;
300 303
301 if ( particleDefinition == heliumDef ) << 304 if ( particleDefinition == instance->GetIon("helium") )
302 crossSection = crossSection + 2*sigmaE 305 crossSection = crossSection + 2*sigmaExcitation ;
303 306
304 delete excitationXS; 307 delete excitationXS;
305 308
306 // Alternative excitation model 309 // Alternative excitation model
307 310
308 G4DNABornExcitationModel * excitatio 311 G4DNABornExcitationModel * excitationXS = new G4DNABornExcitationModel();
309 excitationXS->Initialise(G4Electron: 312 excitationXS->Initialise(G4Electron::ElectronDefinition());
310 313
311 G4double sigmaExcitation=0; 314 G4double sigmaExcitation=0;
312 G4double tmp=0; 315 G4double tmp=0;
313 316
314 if (k*0.511/3728 > 9*eV && k*0.511/3728 317 if (k*0.511/3728 > 9*eV && k*0.511/3728 < 1*MeV ) sigmaExcitation =
315 excitationXS->CrossSectionPerVolume(ma 318 excitationXS->CrossSectionPerVolume(material,G4Electron::ElectronDefinition(),k*0.511/3728,tmp,tmp)
316 /material->GetAtomicNumDensityVector() 319 /material->GetAtomicNumDensityVector()[1];
317 320
318 if ( particleDefinition == alphaPlusDef << 321 if ( particleDefinition == instance->GetIon("alpha+") )
319 crossSection = crossSection + sigmaEx 322 crossSection = crossSection + sigmaExcitation ;
320 323
321 if ( particleDefinition == heliumDef ) << 324 if ( particleDefinition == instance->GetIon("helium") )
322 crossSection = crossSection + 2*sigmaE 325 crossSection = crossSection + 2*sigmaExcitation ;
323 326
324 delete excitationXS; 327 delete excitationXS;
325 328
326 } 329 }
327 */ << 330 */
328 331
329 } << 332 }
330 333
331 if (verboseLevel > 2) << 334 if (verboseLevel > 2)
332 { << 335 {
333 G4cout << "_______________________________ << 336 G4cout << "__________________________________" << G4endl;
334 G4cout << "G4DNAMillerGreenExcitationModel << 337 G4cout << "°°° G4DNAMillerGreenExcitationModel - XS INFO START" << G4endl;
335 G4cout << "Kinetic energy(eV)=" << k/eV << << 338 G4cout << "°°° Kinetic energy(eV)=" << k/eV << " particle : " << particleDefinition->GetParticleName() << G4endl;
336 G4cout << "Cross section per water molecul << 339 G4cout << "°°° Cross section per water molecule (cm^2)=" << crossSection/cm/cm << G4endl;
337 G4cout << "Cross section per water molecul << 340 G4cout << "°°° Cross section per water molecule (cm^-1)=" << crossSection*waterDensity/(1./cm) << G4endl;
338 // G4cout << " - Cross section per water m << 341 // G4cout << " - Cross section per water molecule (cm^-1)=" << sigma*material->GetAtomicNumDensityVector()[1]/(1./cm) << G4endl;
339 G4cout << "G4DNAMillerGreenExcitationModel << 342 G4cout << "°°° G4DNAMillerGreenExcitationModel - XS INFO END" << G4endl;
340 } << 343 }
>> 344 }
>> 345 else
>> 346 {
>> 347 if (verboseLevel > 2)
>> 348 {
>> 349 G4cout << "MillerGreenExcitationModel : WARNING Water density is NULL" << G4endl;
>> 350 }
>> 351 }
341 352
342 return crossSection*waterDensity; 353 return crossSection*waterDensity;
>> 354 // return crossSection*material->GetAtomicNumDensityVector()[1];
>> 355
343 } 356 }
344 357
345 //....oooOO0OOooo........oooOO0OOooo........oo 358 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo....
346 359
347 void G4DNAMillerGreenExcitationModel::SampleSe 360 void G4DNAMillerGreenExcitationModel::SampleSecondaries(std::vector<G4DynamicParticle*>* /*fvect*/,
348 361 const G4MaterialCutsCouple* /*couple*/,
349 362 const G4DynamicParticle* aDynamicParticle,
350 363 G4double,
351 364 G4double)
352 { 365 {
353 366
354 if (verboseLevel > 3) << 367 if (verboseLevel > 3)
355 G4cout << "Calling SampleSecondaries() of << 368 G4cout << "Calling SampleSecondaries() of G4DNAMillerGreenExcitationModel" << G4endl;
356 369
357 G4double particleEnergy0 = aDynamicParticle- << 370 G4double particleEnergy0 = aDynamicParticle->GetKineticEnergy();
358 371
359 G4int level = RandomSelect(particleEnergy0,a << 372 G4int level = RandomSelect(particleEnergy0,aDynamicParticle->GetDefinition());
360 373
361 // Dingfelder's excitation levels << 374 // G4double excitationEnergy = waterExcitation.ExcitationEnergy(level);
362 const G4double excitation[]={ 8.17*eV, 10.13 <<
363 G4double excitationEnergy = excitation[level <<
364 375
365 G4double newEnergy = 0.; << 376 // Dingfelder's excitation levels
366 << 377 const G4double excitation[]={ 8.17*eV, 10.13*eV, 11.31*eV, 12.91*eV, 14.50*eV};
367 if (!statCode) newEnergy = particleEnergy0 - << 378 G4double excitationEnergy = excitation[level];
368 379
369 else newEnergy = particleEnergy0; << 380 G4double newEnergy = particleEnergy0 - excitationEnergy;
370 <<
371 if (newEnergy>0) <<
372 { <<
373 fParticleChangeForGamma->ProposeMomentumDi <<
374 fParticleChangeForGamma->SetProposedKineti <<
375 fParticleChangeForGamma->ProposeLocalEnerg <<
376 <<
377 const G4Track * theIncomingTrack = fPartic <<
378 G4DNAChemistryManager::Instance()->CreateW <<
379 level, theIncomingTrack); <<
380 <<
381 } <<
382 381
383 } << 382 if (newEnergy>0)
>> 383 {
>> 384 fParticleChangeForGamma->ProposeMomentumDirection(aDynamicParticle->GetMomentumDirection());
>> 385 fParticleChangeForGamma->SetProposedKineticEnergy(newEnergy);
>> 386 fParticleChangeForGamma->ProposeLocalEnergyDeposit(excitationEnergy);
>> 387
>> 388 const G4Track * theIncomingTrack = fParticleChangeForGamma->GetCurrentTrack();
>> 389 G4DNAChemistryManager::Instance()->CreateWaterMolecule(eExcitedMolecule,
>> 390 level,
>> 391 theIncomingTrack);
384 392
385 //....oooOO0OOooo........oooOO0OOooo........oo << 393 }
386 394
387 G4double G4DNAMillerGreenExcitationModel::GetP <<
388 G4in <<
389 cons <<
390 G4do <<
391 { <<
392 return PartialCrossSection(kineticEnergy, le <<
393 } 395 }
394 396
395 //....oooOO0OOooo........oooOO0OOooo........oo 397 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
396 398
397 G4double G4DNAMillerGreenExcitationModel::Part 399 G4double G4DNAMillerGreenExcitationModel::PartialCrossSection(G4double k, G4int excitationLevel,
398 400 const G4ParticleDefinition* particleDefinition)
399 { 401 {
400 // ( ( z * aj << 402 // ( ( z * aj ) ^ omegaj ) * ( t - ej ) ^ nu
401 // sigma(t) = zEff^2 * sigma0 * ------------ << 403 // sigma(t) = zEff^2 * sigma0 * --------------------------------------------
402 // jj ^ ( omeg << 404 // jj ^ ( omegaj + nu ) + t ^ ( omegaj + nu )
403 // << 405 //
404 // where t is the kinetic energy corrected b << 406 // where t is the kinetic energy corrected by Helium mass over proton mass for Helium ions
405 // << 407 //
406 // zEff is: << 408 // zEff is:
407 // 1 for protons << 409 // 1 for protons
408 // 2 for alpha++ << 410 // 2 for alpha++
409 // and 2 - c1 S_1s - c2 S_2s - c3 S_2p for << 411 // and 2 - c1 S_1s - c2 S_2s - c3 S_2p for alpha+ and He
410 // << 412 //
411 // Dingfelder et al., RPC 59, 255-275, 2000 << 413 // Dingfelder et al., RPC 59, 255-275, 2000 from Miller and Green (1973)
412 // Formula (34) and Table 2 << 414 // Formula (34) and Table 2
413 415
414 const G4double sigma0(1.E+8 * barn); << 416 const G4double sigma0(1.E+8 * barn);
415 const G4double nu(1.); << 417 const G4double nu(1.);
416 const G4double aj[]={876.*eV, 2084.* eV, 137 << 418 const G4double aj[]={876.*eV, 2084.* eV, 1373.*eV, 692.*eV, 900.*eV};
417 const G4double jj[]={19820.*eV, 23490.*eV, 2 << 419 const G4double jj[]={19820.*eV, 23490.*eV, 27770.*eV, 30830.*eV, 33080.*eV};
418 const G4double omegaj[]={0.85, 0.88, 0.88, 0 << 420 const G4double omegaj[]={0.85, 0.88, 0.88, 0.78, 0.78};
419 421
420 // Dingfelder's excitation levels << 422 // Dingfelder's excitation levels
421 const G4double Eliq[5]={ 8.17*eV, 10.13*eV, << 423 const G4double Eliq[5]={ 8.17*eV, 10.13*eV, 11.31*eV, 12.91*eV, 14.50*eV};
422 424
423 G4int particleTypeIndex = 0; << 425 G4int particleTypeIndex = 0;
424 << 426 G4DNAGenericIonsManager* instance;
425 if (particleDefinition == protonDef) particl << 427 instance = G4DNAGenericIonsManager::Instance();
426 if (particleDefinition == hydrogenDef) parti <<
427 if (particleDefinition == alphaPlusPlusDef) <<
428 if (particleDefinition == alphaPlusDef) part <<
429 if (particleDefinition == heliumDef) particl <<
430 428
431 G4double tCorrected; << 429 if (particleDefinition == G4Proton::ProtonDefinition()) particleTypeIndex=0;
432 tCorrected = k * kineticEnergyCorrection[par << 430 if (particleDefinition == instance->GetIon("hydrogen")) particleTypeIndex=0;
>> 431 if (particleDefinition == instance->GetIon("alpha++")) particleTypeIndex=1;
>> 432 if (particleDefinition == instance->GetIon("alpha+")) particleTypeIndex=2;
>> 433 if (particleDefinition == instance->GetIon("helium")) particleTypeIndex=3;
433 434
434 // SI - added protection << 435 G4double tCorrected;
435 if (tCorrected < Eliq[excitationLevel]) retu << 436 tCorrected = k * kineticEnergyCorrection[particleTypeIndex];
436 // <<
437 437
438 G4int z = 10; << 438 // SI - added protection
>> 439 if (tCorrected < Eliq[excitationLevel]) return 0;
>> 440 //
439 441
440 G4double numerator; << 442 G4int z = 10;
441 numerator = gpow->powA(z * aj[excitationLeve <<
442 gpow->powA(tCorrected - Eliq[exc <<
443 443
444 // H case : see S. Uehara et al. IJRB 77, 2, << 444 G4double numerator;
>> 445 numerator = std::pow(z * aj[excitationLevel], omegaj[excitationLevel]) *
>> 446 std::pow(tCorrected - Eliq[excitationLevel], nu);
445 447
446 if (particleDefinition == hydrogenDef) << 448 // H case : see S. Uehara et al. IJRB 77, 2, 139-154 (2001) - section 3.3
447 numerator = gpow->powA(z * 0.75*aj[excit <<
448 gpow->powA(tCorrected - Eliq <<
449 449
>> 450 if (particleDefinition == instance->GetIon("hydrogen"))
>> 451 numerator = std::pow(z * 0.75*aj[excitationLevel], omegaj[excitationLevel]) *
>> 452 std::pow(tCorrected - Eliq[excitationLevel], nu);
450 453
451 G4double power; <<
452 power = omegaj[excitationLevel] + nu; <<
453 454
454 G4double denominator; << 455 G4double power;
455 denominator = gpow->powA(jj[excitationLevel] << 456 power = omegaj[excitationLevel] + nu;
456 457
457 G4double zEff = particleDefinition->GetPDGCh << 458 G4double denominator;
>> 459 denominator = std::pow(jj[excitationLevel], power) + std::pow(tCorrected, power);
458 460
459 zEff -= ( sCoefficient[0][particleTypeIndex] << 461 G4double zEff = particleDefinition->GetPDGCharge() / eplus + particleDefinition->GetLeptonNumber();
460 sCoefficient[1][particleTypeIndex] * <<
461 sCoefficient[2][particleTypeIndex] * <<
462 462
463 if (particleDefinition == hydrogenDef) zEff << 463 zEff -= ( sCoefficient[0][particleTypeIndex] * S_1s(k, Eliq[excitationLevel], slaterEffectiveCharge[0][particleTypeIndex], 1.) +
>> 464 sCoefficient[1][particleTypeIndex] * S_2s(k, Eliq[excitationLevel], slaterEffectiveCharge[1][particleTypeIndex], 2.) +
>> 465 sCoefficient[2][particleTypeIndex] * S_2p(k, Eliq[excitationLevel], slaterEffectiveCharge[2][particleTypeIndex], 2.) );
464 466
465 G4double cross = sigma0 * zEff * zEff * nume << 467 if (particleDefinition == instance->GetIon("hydrogen")) zEff = 1.;
466 468
>> 469 G4double cross = sigma0 * zEff * zEff * numerator / denominator;
467 470
468 return cross; << 471
>> 472 return cross;
469 } 473 }
470 474
471 //....oooOO0OOooo........oooOO0OOooo........oo 475 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
472 476
473 G4int G4DNAMillerGreenExcitationModel::RandomS 477 G4int G4DNAMillerGreenExcitationModel::RandomSelect(G4double k,const G4ParticleDefinition* particle)
474 { 478 {
475 G4int i = nLevels; << 479 G4int i = nLevels;
476 G4double value = 0.; << 480 G4double value = 0.;
477 std::deque<G4double> values; << 481 std::deque<double> values;
478 << 482
479 if ( particle == alphaPlusPlusDef || << 483 G4DNAGenericIonsManager *instance;
480 particle == protonDef|| << 484 instance = G4DNAGenericIonsManager::Instance();
481 particle == hydrogenDef || << 485
482 particle == alphaPlusDef || << 486 if ( particle == instance->GetIon("alpha++") ||
483 particle == heliumDef << 487 particle == G4Proton::ProtonDefinition()||
484 ) << 488 particle == instance->GetIon("hydrogen") ||
485 { << 489 particle == instance->GetIon("alpha+") ||
486 while (i > 0) << 490 particle == instance->GetIon("helium")
487 { << 491 )
488 i--; <<
489 G4double partial = PartialCrossSection(k <<
490 values.push_front(partial); <<
491 value += partial; <<
492 } <<
493 <<
494 value *= G4UniformRand(); <<
495 <<
496 i = nLevels; <<
497 <<
498 while (i > 0) <<
499 { 492 {
500 i--; << 493 while (i > 0)
501 if (values[i] > value) return i; << 494 {
502 value -= values[i]; << 495 i--;
>> 496 G4double partial = PartialCrossSection(k,i,particle);
>> 497 values.push_front(partial);
>> 498 value += partial;
>> 499 }
>> 500
>> 501 value *= G4UniformRand();
>> 502
>> 503 i = nLevels;
>> 504
>> 505 while (i > 0)
>> 506 {
>> 507 i--;
>> 508 if (values[i] > value) return i;
>> 509 value -= values[i];
>> 510 }
503 } 511 }
504 } <<
505 512
506 /* << 513 /*
507 // add ONE or TWO electron-water excitation 514 // add ONE or TWO electron-water excitation for alpha+ and helium
508 515
509 if ( particle == alphaPlusDef << 516 if ( particle == instance->GetIon("alpha+")
510 || 517 ||
511 particle == heliumDef << 518 particle == instance->GetIon("helium")
512 ) 519 )
513 { 520 {
514 while (i>0) 521 while (i>0)
515 { 522 {
516 i--; 523 i--;
517 524
518 G4DNAEmfietzoglouExcitationModel * e 525 G4DNAEmfietzoglouExcitationModel * excitationXS = new G4DNAEmfietzoglouExcitationModel();
519 excitationXS->Initialise(G4Electron: 526 excitationXS->Initialise(G4Electron::ElectronDefinition());
520 527
521 G4double sigmaExcitation=0; 528 G4double sigmaExcitation=0;
522 529
523 if (k*0.511/3728 > 8.23*eV && k*0.511/37 530 if (k*0.511/3728 > 8.23*eV && k*0.511/3728 < 10*MeV ) sigmaExcitation = excitationXS->PartialCrossSection(k*0.511/3728,i);
524 531
525 G4double partial = PartialCrossSection(k 532 G4double partial = PartialCrossSection(k,i,particle);
526 533
527 if (particle == alphaPlusDef) partial = << 534 if (particle == instance->GetIon("alpha+")) partial = PartialCrossSection(k,i,particle) + sigmaExcitation;
528 if (particle == heliumDef) partial = Par << 535 if (particle == instance->GetIon("helium")) partial = PartialCrossSection(k,i,particle) + 2*sigmaExcitation;
529 536
530 values.push_front(partial); 537 values.push_front(partial);
531 value += partial; 538 value += partial;
532 delete excitationXS; 539 delete excitationXS;
533 } 540 }
534 541
535 value*=G4UniformRand(); 542 value*=G4UniformRand();
536 543
537 i=5; 544 i=5;
538 while (i>0) 545 while (i>0)
539 { 546 {
540 i--; 547 i--;
541 548
542 if (values[i]>value) return i; 549 if (values[i]>value) return i;
543 550
544 value-=values[i]; 551 value-=values[i];
545 } 552 }
546 } 553 }
547 */ << 554 */
548 555
549 return 0; << 556 return 0;
550 } 557 }
551 558
552 //....oooOO0OOooo........oooOO0OOooo........oo 559 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
553 560
554 G4double G4DNAMillerGreenExcitationModel::Sum( 561 G4double G4DNAMillerGreenExcitationModel::Sum(G4double k, const G4ParticleDefinition* particle)
555 { 562 {
556 G4double totalCrossSection = 0.; << 563 G4double totalCrossSection = 0.;
557 564
558 for (G4int i=0; i<nLevels; i++) << 565 for (G4int i=0; i<nLevels; i++)
559 { << 566 {
560 totalCrossSection += PartialCrossSection(k << 567 totalCrossSection += PartialCrossSection(k,i,particle);
561 } << 568 }
562 return totalCrossSection; << 569 return totalCrossSection;
563 } 570 }
564 571
565 //....oooOO0OOooo........oooOO0OOooo........oo 572 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
566 573
567 G4double G4DNAMillerGreenExcitationModel::S_1s 574 G4double G4DNAMillerGreenExcitationModel::S_1s(G4double t,
568 575 G4double energyTransferred,
569 576 G4double _slaterEffectiveCharge,
570 577 G4double shellNumber)
571 { 578 {
572 // 1 - e^(-2r) * ( 1 + 2 r + 2 r^2) << 579 // 1 - e^(-2r) * ( 1 + 2 r + 2 r^2)
573 // Dingfelder, in Chattanooga 2005 proceedin << 580 // Dingfelder, in Chattanooga 2005 proceedings, formula (7)
574 581
575 G4double r = R(t, energyTransferred, _slater << 582 G4double r = R(t, energyTransferred, _slaterEffectiveCharge, shellNumber);
576 G4double value = 1. - G4Exp(-2 * r) * ( ( 2. << 583 G4double value = 1. - std::exp(-2 * r) * ( ( 2. * r + 2. ) * r + 1. );
577 584
578 return value; << 585 return value;
579 } 586 }
580 587
581 588
582 //....oooOO0OOooo........oooOO0OOooo........oo 589 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
583 590
584 G4double G4DNAMillerGreenExcitationModel::S_2s 591 G4double G4DNAMillerGreenExcitationModel::S_2s(G4double t,
585 592 G4double energyTransferred,
586 593 G4double _slaterEffectiveCharge,
587 594 G4double shellNumber)
588 { 595 {
589 // 1 - e^(-2 r) * ( 1 + 2 r + 2 r^2 + 2 r^4) << 596 // 1 - e^(-2 r) * ( 1 + 2 r + 2 r^2 + 2 r^4)
590 // Dingfelder, in Chattanooga 2005 proceedin << 597 // Dingfelder, in Chattanooga 2005 proceedings, formula (8)
591 598
592 G4double r = R(t, energyTransferred, _slater << 599 G4double r = R(t, energyTransferred, _slaterEffectiveCharge, shellNumber);
593 G4double value = 1. - G4Exp(-2 * r) * (((2. << 600 G4double value = 1. - std::exp(-2 * r) * (((2. * r * r + 2.) * r + 2.) * r + 1.);
594 601
595 return value; << 602 return value;
596 603
597 } 604 }
598 605
599 //....oooOO0OOooo........oooOO0OOooo........oo 606 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
600 607
601 G4double G4DNAMillerGreenExcitationModel::S_2p 608 G4double G4DNAMillerGreenExcitationModel::S_2p(G4double t,
602 609 G4double energyTransferred,
603 610 G4double _slaterEffectiveCharge,
604 611 G4double shellNumber)
605 { 612 {
606 // 1 - e^(-2 r) * ( 1 + 2 r + 2 r^2 + 4/3 r^ << 613 // 1 - e^(-2 r) * ( 1 + 2 r + 2 r^2 + 4/3 r^3 + 2/3 r^4)
607 // Dingfelder, in Chattanooga 2005 proceedin << 614 // Dingfelder, in Chattanooga 2005 proceedings, formula (9)
608 615
609 G4double r = R(t, energyTransferred, _slater << 616 G4double r = R(t, energyTransferred, _slaterEffectiveCharge, shellNumber);
610 G4double value = 1. - G4Exp(-2 * r) * (((( << 617 G4double value = 1. - std::exp(-2 * r) * (((( 2./3. * r + 4./3.) * r + 2.) * r + 2.) * r + 1.);
611 618
612 return value; << 619 return value;
613 } 620 }
614 621
615 //....oooOO0OOooo........oooOO0OOooo........oo 622 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
616 623
617 G4double G4DNAMillerGreenExcitationModel::R(G4 624 G4double G4DNAMillerGreenExcitationModel::R(G4double t,
618 G4 625 G4double energyTransferred,
619 G4 626 G4double _slaterEffectiveCharge,
620 G4 627 G4double shellNumber)
621 { 628 {
622 // tElectron = m_electron / m_alpha * t << 629 // tElectron = m_electron / m_alpha * t
623 // Dingfelder, in Chattanooga 2005 proceedin << 630 // Dingfelder, in Chattanooga 2005 proceedings, p 4
624 631
625 G4double tElectron = 0.511/3728. * t; << 632 G4double tElectron = 0.511/3728. * t;
626 633
627 // The following is provided by M. Dingfelde << 634 // The following is provided by M. Dingfelder
628 G4double H = 2.*13.60569172 * eV; << 635 G4double H = 2.*13.60569172 * eV;
629 G4double value = std::sqrt ( 2. * tElectron << 636 G4double value = std::sqrt ( 2. * tElectron / H ) / ( energyTransferred / H ) * (_slaterEffectiveCharge/shellNumber);
630 637
631 return value; << 638 return value;
632 } 639 }
633 640
634 641