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25 // 25 //
26 // Authors: S. Meylan and C. Villagrasa (IRSN, 26 // Authors: S. Meylan and C. Villagrasa (IRSN, France)
27 // Models come from 27 // Models come from
28 // M. Bug et al, Rad. Phys and Chem. 130, 459- 28 // M. Bug et al, Rad. Phys and Chem. 130, 459-479 (2017)
29 // 29 //
30 30
31 #include "G4DNAPTBExcitationModel.hh" 31 #include "G4DNAPTBExcitationModel.hh"
32 << 32 #include "G4SystemOfUnits.hh"
33 #include "G4DNAChemistryManager.hh" 33 #include "G4DNAChemistryManager.hh"
34 #include "G4DNAMaterialManager.hh" <<
35 #include "G4DNAMolecularMaterial.hh" 34 #include "G4DNAMolecularMaterial.hh"
36 #include "G4SystemOfUnits.hh" <<
37 35
38 G4DNAPTBExcitationModel::G4DNAPTBExcitationMod << 36 G4DNAPTBExcitationModel::G4DNAPTBExcitationModel(const G4String& applyToMaterial, const G4ParticleDefinition*,
39 << 37 const G4String& nam)
40 : G4VDNAModel(nam, applyToMaterial) << 38 : G4VDNAModel(nam, applyToMaterial)
41 { 39 {
42 fpTHF = G4Material::GetMaterial("THF", false << 40 verboseLevel= 0;
43 fpPY = G4Material::GetMaterial("PY", false); << 41 // Verbosity scale:
44 fpPU = G4Material::GetMaterial("PU", false); << 42 // 0 = nothing
45 fpTMP = G4Material::GetMaterial("TMP", false << 43 // 1 = warning for energy non-conservation
46 fpG4_WATER = G4Material::GetMaterial("G4_WAT << 44 // 2 = details of energy budget
47 fpBackbone_THF = G4Material::GetMaterial("ba << 45 // 3 = calculation of cross sections, file openings, sampling of atoms
48 fpCytosine_PY = G4Material::GetMaterial("cyt << 46 // 4 = entering in methods
49 fpThymine_PY = G4Material::GetMaterial("thym << 47
50 fpAdenine_PU = G4Material::GetMaterial("aden << 48 // initialisation of mean energy loss for each material
51 fpBackbone_TMP = G4Material::GetMaterial("ba << 49 tableMeanEnergyPTB["THF"] = 8.01*eV;
52 fpGuanine_PU = G4Material::GetMaterial("guan << 50 tableMeanEnergyPTB["PY"] = 7.61*eV;
53 fpN2 = G4Material::GetMaterial("N2", false); << 51 tableMeanEnergyPTB["PU"] = 7.61*eV;
54 // initialisation of mean energy loss for ea << 52 tableMeanEnergyPTB["TMP"] = 8.01*eV;
55 << 53
56 if (fpTHF != nullptr) { << 54 if( verboseLevel>0 )
57 fTableMeanEnergyPTB[fpTHF->GetIndex()] = 8 << 55 {
58 } << 56 G4cout << "PTB excitation model is constructed " << G4endl;
59 << 57 }
60 if (fpPY != nullptr) { << 58 }
61 fTableMeanEnergyPTB[fpPY->GetIndex()] = 7. << 59
62 } << 60 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo....
63 << 61
64 if (fpPU != nullptr) { << 62 G4DNAPTBExcitationModel::~G4DNAPTBExcitationModel()
65 fTableMeanEnergyPTB[fpPU->GetIndex()] = 7. << 63 {
66 } << 64
67 if (fpTMP != nullptr) { <<
68 fTableMeanEnergyPTB[fpTMP->GetIndex()] = 8 <<
69 } <<
70 <<
71 if (verboseLevel > 0) { <<
72 G4cout << "PTB excitation model is constru <<
73 } <<
74 } 65 }
75 66
76 //....oooOO0OOooo........oooOO0OOooo........oo 67 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo....
77 68
78 void G4DNAPTBExcitationModel::Initialise(const 69 void G4DNAPTBExcitationModel::Initialise(const G4ParticleDefinition* particle,
79 const << 70 const G4DataVector& /*cuts*/, G4ParticleChangeForGamma*)
80 { 71 {
81 if (isInitialised) { << 72 if (verboseLevel > 3)
82 return; << 73 G4cout << "Calling G4DNAPTBExcitationModel::Initialise()" << G4endl;
83 } << 74
84 if (verboseLevel > 3) << 75 G4double scaleFactor = 1e-16*cm*cm;
85 { << 76 G4double scaleFactorBorn = (1.e-22 / 3.343) * m*m;
86 G4cout << "Calling G4DNAPTBExcitationModel << 77
87 } << 78 G4ParticleDefinition* electronDef = G4Electron::ElectronDefinition();
88 << 79
89 if (particle != G4Electron::ElectronDefiniti << 80 //*******************************************************
90 std::ostringstream oss; << 81 // Cross section data
91 oss << " Model is not applied for this par << 82 //*******************************************************
92 G4Exception("G4DNAPTBExcitationModel::Init << 83
93 } << 84 if(particle == electronDef)
94 << 85 {
95 G4double scaleFactor = 1e-16 * cm * cm; << 86 G4String particleName = particle->GetParticleName();
96 G4double scaleFactorBorn = (1.e-22 / 3.343) << 87
97 << 88 AddCrossSectionData("THF",
98 //****************************************** << 89 particleName,
99 // Cross section data << 90 "dna/sigma_excitation_e-_PTB_THF",
100 //****************************************** << 91 scaleFactor);
101 std::size_t index; << 92 SetLowELimit("THF", particleName, 9.*eV);
102 if (fpTHF != nullptr) { << 93 SetHighELimit("THF", particleName, 1.*keV);
103 index = fpTHF->GetIndex(); << 94
104 AddCrossSectionData(index, particle, "dna/ << 95 AddCrossSectionData("PY",
105 SetLowELimit(index, particle, 9. * eV); << 96 particleName,
106 SetHighELimit(index, particle, 1. * keV); << 97 "dna/sigma_excitation_e-_PTB_PY",
107 } << 98 scaleFactor);
108 if (fpPY != nullptr) { << 99 SetLowELimit("PY", particleName, 9.*eV);
109 index = fpPY->GetIndex(); << 100 SetHighELimit("PY", particleName, 1.*keV);
110 AddCrossSectionData(index, particle, "dna/ << 101
111 SetLowELimit(index, particle, 9. * eV); << 102 AddCrossSectionData("PU",
112 SetHighELimit(index, particle, 1. * keV); << 103 particleName,
113 } << 104 "dna/sigma_excitation_e-_PTB_PU",
114 << 105 scaleFactor);
115 if (fpPU != nullptr) { << 106 SetLowELimit("PU", particleName, 9.*eV);
116 index = fpPU->GetIndex(); << 107 SetHighELimit("PU", particleName, 1.*keV);
117 AddCrossSectionData(index, particle, "dna/ << 108
118 SetLowELimit(index, particle, 9. * eV); << 109 AddCrossSectionData("TMP",
119 SetHighELimit(index, particle, 1. * keV); << 110 particleName,
120 } << 111 "dna/sigma_excitation_e-_PTB_TMP",
121 << 112 scaleFactor);
122 if (fpTMP != nullptr) { << 113 SetLowELimit("TMP", particleName, 9.*eV);
123 index = fpTMP->GetIndex(); << 114 SetHighELimit("TMP", particleName, 1.*keV);
124 AddCrossSectionData(index, particle, "dna/ << 115
125 SetLowELimit(index, particle, 9. * eV); << 116 AddCrossSectionData("G4_WATER",
126 SetHighELimit(index, particle, 1. * keV); << 117 particleName,
127 } << 118 "dna/sigma_excitation_e_born",
128 if (fpG4_WATER != nullptr) { << 119 scaleFactorBorn);
129 index = fpG4_WATER->GetIndex(); << 120 SetLowELimit("G4_WATER", particleName, 9.*eV);
130 AddCrossSectionData(index, particle, "dna/ << 121 SetHighELimit("G4_WATER", particleName, 1.*keV);
131 SetLowELimit(index, particle, 9. * eV); << 122
132 SetHighELimit(index, particle, 1. * keV); << 123 // DNA materials
133 } << 124 //
134 // DNA materials << 125 AddCrossSectionData("backbone_THF",
135 // << 126 particleName,
136 if (fpBackbone_THF != nullptr) { << 127 "dna/sigma_excitation_e-_PTB_THF",
137 index = fpBackbone_THF->GetIndex(); << 128 scaleFactor*33./30);
138 AddCrossSectionData(index, particle, "dna/ << 129 SetLowELimit("backbone_THF", particleName, 9.*eV);
139 SetLowELimit(index, particle, 9. * eV); << 130 SetHighELimit("backbone_THF", particleName, 1.*keV);
140 SetHighELimit(index, particle, 1. * keV); << 131
141 } << 132 AddCrossSectionData("cytosine_PY",
142 if (fpCytosine_PY != nullptr) { << 133 particleName,
143 index = fpCytosine_PY->GetIndex(); << 134 "dna/sigma_excitation_e-_PTB_PY",
144 AddCrossSectionData(index, particle, "dna/ << 135 scaleFactor*42./30);
145 SetLowELimit(index, particle, 9. * eV); << 136 SetLowELimit("cytosine_PY", particleName, 9.*eV);
146 SetHighELimit(index, particle, 1. * keV); << 137 SetHighELimit("cytosine_PY", particleName, 1.*keV);
147 } << 138
148 if (fpThymine_PY != nullptr) { << 139 AddCrossSectionData("thymine_PY",
149 index = fpThymine_PY->GetIndex(); << 140 particleName,
150 AddCrossSectionData(index, particle, "dna/ << 141 "dna/sigma_excitation_e-_PTB_PY",
151 SetLowELimit(index, particle, 9. * eV); << 142 scaleFactor*48./30);
152 SetHighELimit(index, particle, 1. * keV); << 143 SetLowELimit("thymine_PY", particleName, 9.*eV);
153 } << 144 SetHighELimit("thymine_PY", particleName, 1.*keV);
154 if (fpAdenine_PU != nullptr) { << 145
155 index = fpAdenine_PU->GetIndex(); << 146 AddCrossSectionData("adenine_PU",
156 AddCrossSectionData(index, particle, "dna/ << 147 particleName,
157 SetLowELimit(index, particle, 9. * eV); << 148 "dna/sigma_excitation_e-_PTB_PU",
158 SetHighELimit(index, particle, 1. * keV); << 149 scaleFactor*50./44);
159 } << 150 SetLowELimit("adenine_PU", particleName, 9.*eV);
160 if (fpGuanine_PU != nullptr) { << 151 SetHighELimit("adenine_PU", particleName, 1.*keV);
161 index = fpGuanine_PU->GetIndex(); << 152
162 AddCrossSectionData(index, particle, "dna/ << 153 AddCrossSectionData("guanine_PU",
163 SetLowELimit(index, particle, 9. * eV); << 154 particleName,
164 SetHighELimit(index, particle, 1. * keV); << 155 "dna/sigma_excitation_e-_PTB_PU",
165 } << 156 scaleFactor*56./44);
166 if (fpBackbone_TMP != nullptr) { << 157 SetLowELimit("guanine_PU", particleName, 9.*eV);
167 index = fpBackbone_TMP->GetIndex(); << 158 SetHighELimit("guanine_PU", particleName, 1.*keV);
168 AddCrossSectionData(index, particle, "dna/ << 159
169 SetLowELimit(index, particle, 9. * eV); << 160 AddCrossSectionData("backbone_TMP",
170 SetHighELimit(index, particle, 1. * keV); << 161 particleName,
171 } << 162 "dna/sigma_excitation_e-_PTB_TMP",
172 // MPietrzak, adding paths for N2 << 163 scaleFactor*33./50);
173 if (fpN2 != nullptr) { << 164 SetLowELimit("backbone_TMP", particleName, 9.*eV);
174 index = fpN2->GetIndex(); << 165 SetHighELimit("backbone_TMP", particleName, 1.*keV);
175 AddCrossSectionData(index, particle, "dna/ <<
176 SetLowELimit(index, particle, 13. * eV); <<
177 SetHighELimit(index, particle, 1.02 * MeV) <<
178 } <<
179 if (!G4DNAMaterialManager::Instance()->IsLoc <<
180 // Load data <<
181 LoadCrossSectionData(particle); <<
182 G4DNAMaterialManager::Instance()->SetMaste <<
183 fpModelData = this; <<
184 } <<
185 else { <<
186 auto dataModel = dynamic_cast<G4DNAPTBExci <<
187 G4DNAMaterialManager::Instance()->GetMod <<
188 if (dataModel == nullptr) { <<
189 G4cout << "G4DNAPTBExcitationModel::Init <<
190 G4Exception("G4DNAPTBExcitationModel::In <<
191 "not good modelData"); <<
192 } <<
193 else { <<
194 fpModelData = dataModel; <<
195 } 166 }
196 } <<
197 167
198 fParticleChangeForGamma = GetParticleChangeF << 168 //*******************************************************
199 isInitialised = true; << 169 // Load data
>> 170 //*******************************************************
>> 171
>> 172 LoadCrossSectionData(particle->GetParticleName() );
>> 173
>> 174 //*******************************************************
>> 175 // Verbose
>> 176 //*******************************************************
>> 177
>> 178 if( verboseLevel>0 )
>> 179 {
>> 180 G4cout << "PTB excitation model is initialized " << G4endl;
>> 181 }
200 } 182 }
201 183
202 //....oooOO0OOooo........oooOO0OOooo........oo 184 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo....
203 185
204 G4double G4DNAPTBExcitationModel::CrossSection << 186 G4double G4DNAPTBExcitationModel::CrossSectionPerVolume(const G4Material* /*material*/,
205 << 187 const G4String& materialName,
206 << 188 const G4ParticleDefinition* particleDefinition,
>> 189 G4double ekin,
>> 190 G4double /*emin*/,
207 191 G4double /*emax*/)
208 { 192 {
209 // Get the name of the current particle << 193 if (verboseLevel > 3)
210 G4String particleName = p->GetParticleName() << 194 G4cout << "Calling CrossSectionPerVolume() of G4DNAPTBExcitationModel" << G4endl;
211 const std::size_t& MatID = material->GetInde << 195
212 // initialise variables << 196 // Get the name of the current particle
213 G4double lowLim; << 197 G4String particleName = particleDefinition->GetParticleName();
214 G4double highLim; << 198
215 G4double sigma = 0; << 199 // initialise variables
216 << 200 G4double lowLim = 0;
217 // Get the low energy limit for the current << 201 G4double highLim = 0;
218 lowLim = fpModelData->GetLowELimit(MatID, p) << 202 G4double sigma=0;
219 << 203
220 // Get the high energy limit for the current << 204 // Get the low energy limit for the current particle
221 highLim = fpModelData->GetHighELimit(MatID, << 205 lowLim = GetLowELimit(materialName, particleName);
222 << 206
223 // Check that we are in the correct energy r << 207 // Get the high energy limit for the current particle
224 if (ekin >= lowLim && ekin < highLim) { << 208 highLim = GetHighELimit(materialName, particleName);
225 // Get the map with all the data tables << 209
226 auto Data = fpModelData->GetData(); << 210 // Check that we are in the correct energy range
227 << 211 if (ekin >= lowLim && ekin < highLim)
228 if ((*Data)[MatID][p] == nullptr) { << 212 {
229 G4Exception("G4DNAPTBExcitationModel::Cr << 213 // Get the map with all the data tables
230 "No model is registered"); << 214 TableMapData* tableData = GetTableData();
231 } << 215
232 // Retrieve the cross section value << 216 // Retrieve the cross section value
233 sigma = (*Data)[MatID][p]->FindValue(ekin) << 217 sigma = (*tableData)[materialName][particleName]->FindValue(ekin);
>> 218
>> 219 if (verboseLevel > 2)
>> 220 {
>> 221 G4cout << "__________________________________" << G4endl;
>> 222 G4cout << "°°° G4DNAPTBExcitationModel - XS INFO START" << G4endl;
>> 223 G4cout << "°°° Kinetic energy(eV)=" << ekin/eV << " particle : " << particleName << G4endl;
>> 224 G4cout << "°°° Cross section per "<< materialName <<" molecule (cm^2)=" << sigma/cm/cm << G4endl;
>> 225 G4cout << "°°° G4DNAPTBExcitationModel - XS INFO END" << G4endl;
>> 226 }
234 227
235 if (verboseLevel > 2) { <<
236 G4cout << "_____________________________ <<
237 G4cout << "°°° G4DNAPTBExcitationMode <<
238 G4cout << "°°° Kinetic energy(eV)=" < <<
239 G4cout << "°°° Cross section per " << <<
240 << G4endl; <<
241 G4cout << "°°° G4DNAPTBExcitationMode <<
242 } 228 }
243 } <<
244 229
245 // Return the cross section value << 230 // Return the cross section value
246 auto MolDensity = << 231 return sigma;
247 (*G4DNAMolecularMaterial::Instance()->GetN <<
248 return sigma * MolDensity; <<
249 } 232 }
250 233
251 //....oooOO0OOooo........oooOO0OOooo........oo 234 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo....
252 235
253 void G4DNAPTBExcitationModel::SampleSecondarie << 236 void G4DNAPTBExcitationModel::SampleSecondaries(std::vector<G4DynamicParticle*>* /*fvect*/,
254 << 237 const G4MaterialCutsCouple* /*couple*/,
>> 238 const G4String& materialName,
255 239 const G4DynamicParticle* aDynamicParticle,
256 << 240 G4ParticleChangeForGamma* particleChangeForGamma,
>> 241 G4double /*tmin*/,
>> 242 G4double /*tmax*/)
257 { 243 {
258 const std::size_t& materialID = (std::size_t << 244 if (verboseLevel > 3)
>> 245 G4cout << "Calling SampleSecondaries() of G4DNAPTBExcitationModel" << G4endl;
>> 246
>> 247 // Get the incident particle kinetic energy
>> 248 G4double k = aDynamicParticle->GetKineticEnergy();
259 249
260 // Get the incident particle kinetic energy << 250 if(materialName!="G4_WATER")
261 G4double k = aDynamicParticle->GetKineticEne << 251 {
262 // Get the particle name << 252 // Retrieve the excitation energy for the current material
263 const auto& particle = aDynamicParticle->Get << 253 G4double excitationEnergy = tableMeanEnergyPTB[materialName];
264 // Get the energy limits << 254
265 G4double lowLim = fpModelData->GetLowELimit( << 255 // Calculate the new energy of the particle
266 G4double highLim = fpModelData->GetHighELimi << 256 G4double newEnergy = k - excitationEnergy;
267 << 257
268 // Check if we are in the correct energy ran << 258 // Check that the new energy is above zero before applying it the particle.
269 if (k >= lowLim && k < highLim) { << 259 // Otherwise, do nothing.
270 if (fpN2 != nullptr && materialID == fpN2- << 260 if (newEnergy > 0)
271 // Retrieve the excitation energy for th << 261 {
272 G4int level = fpModelData->RandomSelectS << 262 particleChangeForGamma->ProposeMomentumDirection(aDynamicParticle->GetMomentumDirection());
273 G4double excitationEnergy = ptbExcitatio << 263 particleChangeForGamma->SetProposedKineticEnergy(newEnergy);
274 << 264 particleChangeForGamma->ProposeLocalEnergyDeposit(excitationEnergy);
275 // Calculate the new energy of the parti <<
276 G4double newEnergy = k - excitationEnerg <<
277 <<
278 // Check that the new energy is above ze <<
279 // Otherwise, do nothing. <<
280 if (newEnergy > 0) { <<
281 fParticleChangeForGamma->ProposeMoment <<
282 fParticleChangeForGamma->SetProposedKi <<
283 fParticleChangeForGamma->ProposeLocalE <<
284 G4double ioniThres = ptbIonisationStru <<
285 // if excitation energy greater than i <<
286 if ((excitationEnergy > ioniThres) && <<
287 fParticleChangeForGamma->ProposeLoca <<
288 // energy of ejected electron <<
289 G4double secondaryKinetic = excitati <<
290 // random direction <<
291 G4double cosTheta = 2 * G4UniformRan <<
292 G4double sinTheta = std::sqrt(1. - c <<
293 G4double ux = sinTheta * std::cos(ph <<
294 G4ThreeVector deltaDirection(ux, uy, <<
295 // Create the new particle with its <<
296 auto dp = new G4DynamicParticle(G4El <<
297 fvect->push_back(dp); <<
298 } 265 }
299 } <<
300 else { <<
301 G4ExceptionDescription description; <<
302 description << "Kinetic energy <= 0 at <<
303 G4Exception("G4DNAPTBExcitationModel:: <<
304 } <<
305 } 266 }
306 else if (fpG4_WATER == nullptr || material << 267 else
307 // Retrieve the excitation energy for th << 268 {
308 G4double excitationEnergy = fTableMeanEn << 269 const G4String& particleName = aDynamicParticle->GetDefinition()->GetParticleName();
309 // Calculate the new energy of the parti << 270
310 G4double newEnergy = k - excitationEnerg << 271 G4int level = RandomSelectShell(k,particleName, materialName);
311 // Check that the new energy is above ze << 272 G4double excitationEnergy = waterStructure.ExcitationEnergy(level);
312 // Otherwise, do nothing. << 273 G4double newEnergy = k - excitationEnergy;
313 if (newEnergy > 0) { << 274
314 fParticleChangeForGamma->ProposeMoment << 275 if (newEnergy > 0)
315 fParticleChangeForGamma->SetProposedKi << 276 {
316 fParticleChangeForGamma->ProposeLocalE << 277 particleChangeForGamma->ProposeMomentumDirection(aDynamicParticle->GetMomentumDirection());
317 } << 278 particleChangeForGamma->SetProposedKineticEnergy(newEnergy);
318 else { << 279 particleChangeForGamma->ProposeLocalEnergyDeposit(excitationEnergy);
319 G4ExceptionDescription description; << 280 }
320 description << "Kinetic energy <= 0 at << 281
321 G4Exception("G4DNAPTBExcitationModel:: << 282 const G4Track * theIncomingTrack = particleChangeForGamma->GetCurrentTrack();
322 } << 283 G4DNAChemistryManager::Instance()->CreateWaterMolecule(eExcitedMolecule,
323 } << 284 level,
324 else { <<
325 G4int level = RandomSelectShell(k, parti <<
326 G4double excitationEnergy = waterStructu <<
327 G4double newEnergy = k - excitationEnerg <<
328 <<
329 if (newEnergy > 0) { <<
330 fParticleChangeForGamma->ProposeMoment <<
331 fParticleChangeForGamma->SetProposedKi <<
332 fParticleChangeForGamma->ProposeLocalE <<
333 const G4Track* theIncomingTrack = fPar <<
334 G4DNAChemistryManager::Instance()->Cre <<
335 285 theIncomingTrack);
336 } <<
337 else { <<
338 G4ExceptionDescription description; <<
339 description << "Kinetic energy <= 0 at <<
340 G4Exception("G4DNAPTBExcitationModel:: <<
341 } <<
342 } 286 }
343 } <<
344 } 287 }
345 288