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25 // 25 //
26 // Created on 2016/04/08 26 // Created on 2016/04/08
27 // 27 //
28 // Authors: D. Sakata, S. Incerti 28 // Authors: D. Sakata, S. Incerti
29 // 29 //
30 // This class perform transmission term of vol 30 // This class perform transmission term of volume plasmon excitation,
31 // based on Quinn Model, see Phys. Rev. vol 12 31 // based on Quinn Model, see Phys. Rev. vol 126, number 4 (1962)
32 32
33 #include "G4DNAQuinnPlasmonExcitationModel.hh" 33 #include "G4DNAQuinnPlasmonExcitationModel.hh"
34 #include "G4SystemOfUnits.hh" 34 #include "G4SystemOfUnits.hh"
35 #include "G4RandomDirection.hh" 35 #include "G4RandomDirection.hh"
36 36
37 //....oooOO0OOooo........oooOO0OOooo........oo 37 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo....
38 38
39 using namespace std; 39 using namespace std;
40 40
41 //....oooOO0OOooo........oooOO0OOooo........oo 41 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo....
42 42
43 G4DNAQuinnPlasmonExcitationModel::G4DNAQuinnPl 43 G4DNAQuinnPlasmonExcitationModel::G4DNAQuinnPlasmonExcitationModel
44 (const G4ParticleDefin 44 (const G4ParticleDefinition*,
45 const G4String& nam): 45 const G4String& nam):
46 G4VEmModel(nam) 46 G4VEmModel(nam)
47 { 47 {
48 fpMaterialDensity = nullptr; 48 fpMaterialDensity = nullptr;
49 fLowEnergyLimit = 10 * eV; 49 fLowEnergyLimit = 10 * eV;
50 fHighEnergyLimit = 1.0 * GeV; 50 fHighEnergyLimit = 1.0 * GeV;
51 51
52 for(int & i : nValenceElectron) i=0; 52 for(int & i : nValenceElectron) i=0;
53 53
54 verboseLevel = 0; 54 verboseLevel = 0;
55 55
56 if (verboseLevel > 0) 56 if (verboseLevel > 0)
57 { 57 {
58 G4cout << "Quinn plasmon excitation model 58 G4cout << "Quinn plasmon excitation model is constructed " << G4endl;
59 } 59 }
60 fParticleChangeForGamma = nullptr; 60 fParticleChangeForGamma = nullptr;
61 statCode = false; 61 statCode = false;
62 } 62 }
63 63
64 //....oooOO0OOooo........oooOO0OOooo........oo 64 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo....
65 65
66 G4DNAQuinnPlasmonExcitationModel::~G4DNAQuinnP 66 G4DNAQuinnPlasmonExcitationModel::~G4DNAQuinnPlasmonExcitationModel()
67 = default; 67 = default;
68 68
69 //....oooOO0OOooo........oooOO0OOooo........oo 69 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo....
70 70
71 void G4DNAQuinnPlasmonExcitationModel::Initial 71 void G4DNAQuinnPlasmonExcitationModel::Initialise
72 (const G4ParticleDefin 72 (const G4ParticleDefinition* particle,
73 const G4DataVector& / 73 const G4DataVector& /*cuts*/)
74 { 74 {
75 for(int & i : nValenceElectron) i=0; 75 for(int & i : nValenceElectron) i=0;
76 76
77 if (verboseLevel > 3) 77 if (verboseLevel > 3)
78 { 78 {
79 G4cout << 79 G4cout <<
80 "Calling G4DNAQuinnPlasmonExcitatio 80 "Calling G4DNAQuinnPlasmonExcitationModel::Initialise()"
81 << G4endl; 81 << G4endl;
82 } 82 }
83 83
84 if(particle == G4Electron::ElectronDefinitio 84 if(particle == G4Electron::ElectronDefinition())
85 { 85 {
86 fLowEnergyLimit = 10 * eV; 86 fLowEnergyLimit = 10 * eV;
87 fHighEnergyLimit = 1.0 * GeV; 87 fHighEnergyLimit = 1.0 * GeV;
88 } 88 }
89 else 89 else
90 { 90 {
91 G4Exception("G4DNAQuinnPlasmonExcitationMo 91 G4Exception("G4DNAQuinnPlasmonExcitationModel::Initialise","em0001",
92 FatalException,"Not defined for other part 92 FatalException,"Not defined for other particles than electrons.");
93 return; 93 return;
94 } 94 }
95 95
96 // Get Number of valence electrons 96 // Get Number of valence electrons
97 G4ProductionCutsTable* theCoupleTable = 97 G4ProductionCutsTable* theCoupleTable =
98 G4ProductionCutsTable::GetProductionCuts 98 G4ProductionCutsTable::GetProductionCutsTable();
99 99
100 auto numOfCouples = (G4int)theCoupleTable-> 100 auto numOfCouples = (G4int)theCoupleTable->GetTableSize();
101 101
102 for(G4int i=0;i<numOfCouples;i++){ 102 for(G4int i=0;i<numOfCouples;i++){
103 103
104 const G4MaterialCutsCouple* couple = 104 const G4MaterialCutsCouple* couple =
105 theCoupleTable->GetMaterialCutsCoupl 105 theCoupleTable->GetMaterialCutsCouple(i);
106 106
107 const G4Material* material = couple->GetMa 107 const G4Material* material = couple->GetMaterial();
108 108
109 const G4ElementVector* theElementVector =m 109 const G4ElementVector* theElementVector =material->GetElementVector();
110 110
111 std::size_t nelm = material->GetNumberOfEl 111 std::size_t nelm = material->GetNumberOfElements();
112 if (nelm==1) // Protection: only for singl 112 if (nelm==1) // Protection: only for single element
113 { 113 {
114 G4int z = G4lrint((*theElementVector)[0] 114 G4int z = G4lrint((*theElementVector)[0]->GetZ());
115 if(z<=100) 115 if(z<=100)
116 { 116 {
117 nValenceElectron[z] = GetNValenceElec 117 nValenceElectron[z] = GetNValenceElectron(z);
118 } 118 }
119 else 119 else
120 { 120 {
121 G4Exception("G4DNAQuinnPlasmonExcitati 121 G4Exception("G4DNAQuinnPlasmonExcitationModel::Initialise","em0002",
122 FatalException,"The model is not app 122 FatalException,"The model is not applied for z>100");
123 } 123 }
124 } 124 }
125 //for(G4int j=0;j<nelm;j++){ 125 //for(G4int j=0;j<nelm;j++){
126 // G4int z=G4lrint((*theElementVector)[ 126 // G4int z=G4lrint((*theElementVector)[j]->GetZ());
127 // if(z<=100){nValenceElectron[z] = Ge 127 // if(z<=100){nValenceElectron[z] = GetNValenceElectron(z);}
128 //} 128 //}
129 } 129 }
130 130
131 if( verboseLevel>0 ) 131 if( verboseLevel>0 )
132 { 132 {
133 G4cout << "Quinn plasmon excitation model 133 G4cout << "Quinn plasmon excitation model is initialized " << G4endl
134 << "Energy range: " 134 << "Energy range: "
135 << LowEnergyLimit() / eV << " eV - " 135 << LowEnergyLimit() / eV << " eV - "
136 << HighEnergyLimit() / keV << " keV for " 136 << HighEnergyLimit() / keV << " keV for "
137 << particle->GetParticleName() 137 << particle->GetParticleName()
138 << G4endl; 138 << G4endl;
139 } 139 }
140 140
141 if (isInitialised){return;} 141 if (isInitialised){return;}
142 fParticleChangeForGamma = GetParticleChangeF 142 fParticleChangeForGamma = GetParticleChangeForGamma();
143 isInitialised = true; 143 isInitialised = true;
144 } 144 }
145 145
146 //....oooOO0OOooo........oooOO0OOooo........oo 146 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo....
147 147
148 G4double G4DNAQuinnPlasmonExcitationModel::Cro 148 G4double G4DNAQuinnPlasmonExcitationModel::CrossSectionPerVolume
149 (const G4Material* ma 149 (const G4Material* material,
150 const G4ParticleDefi 150 const G4ParticleDefinition* particleDefinition,
151 G4double ekin, 151 G4double ekin,
152 G4double, 152 G4double,
153 G4double) 153 G4double)
154 { 154 {
155 if (verboseLevel > 3) 155 if (verboseLevel > 3)
156 { 156 {
157 G4cout << 157 G4cout <<
158 "Calling CrossSectionPerVolume() of G 158 "Calling CrossSectionPerVolume() of G4DNAQuinnPlasmonExcitationModel"
159 << G4endl; 159 << G4endl;
160 } 160 }
161 161
162 // Protection: only for single element 162 // Protection: only for single element
163 if(material->GetNumberOfElements()>1) return 163 if(material->GetNumberOfElements()>1) return 0.;
164 G4double z = material->GetZ(); 164 G4double z = material->GetZ();
165 165
166 // Protection: only for Gold 166 // Protection: only for Gold
167 if (z!=79){return 0.;} 167 if (z!=79){return 0.;}
168 168
169 169
170 G4double sigma = 0; 170 G4double sigma = 0;
171 G4double atomicNDensity = material->GetAtomi 171 G4double atomicNDensity = material->GetAtomicNumDensityVector()[0];
172 172
173 if(atomicNDensity!= 0.0) 173 if(atomicNDensity!= 0.0)
174 { 174 {
175 if (ekin >= fLowEnergyLimit && ekin < fHig 175 if (ekin >= fLowEnergyLimit && ekin < fHighEnergyLimit)
176 { 176 {
177 sigma = GetCrossSection(material,particl 177 sigma = GetCrossSection(material,particleDefinition,ekin);
178 } 178 }
179 179
180 if (verboseLevel > 2) 180 if (verboseLevel > 2)
181 { 181 {
182 G4cout<<"_______________________________ 182 G4cout<<"__________________________________" << G4endl;
183 G4cout<<"=== G4DNAQuinnPlasmonExcitation 183 G4cout<<"=== G4DNAQuinnPlasmonExcitationModel - XS INFO START"<<G4endl;
184 G4cout<<"=== Kinetic energy (eV)=" << ek 184 G4cout<<"=== Kinetic energy (eV)=" << ekin/eV << " particle : "
185 <<particleDefinition->GetParticleN 185 <<particleDefinition->GetParticleName() << G4endl;
186 G4cout<<"=== Cross section per atom for 186 G4cout<<"=== Cross section per atom for Z="<<z<<" is (cm^2)"
187 <<sigma/cm/cm << G4endl; 187 <<sigma/cm/cm << G4endl;
188 G4cout<<"=== Cross section per atom for 188 G4cout<<"=== Cross section per atom for Z="<<z<<" is (cm^-1)="
189 <<sigma*atomicNDensity/(1./cm) << 189 <<sigma*atomicNDensity/(1./cm) << G4endl;
190 G4cout<<"=== G4DNAQuinnPlasmonExcitation 190 G4cout<<"=== G4DNAQuinnPlasmonExcitationModel - XS INFO END" << G4endl;
191 } 191 }
192 } 192 }
193 193
194 return sigma*atomicNDensity; 194 return sigma*atomicNDensity;
195 } 195 }
196 196
197 //....oooOO0OOooo........oooOO0OOooo........oo 197 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo....
198 198
199 void G4DNAQuinnPlasmonExcitationModel::SampleS 199 void G4DNAQuinnPlasmonExcitationModel::SampleSecondaries
200 (std::vector<G4Dynami 200 (std::vector<G4DynamicParticle*>* /*fvect*/,
201 const G4MaterialCuts 201 const G4MaterialCutsCouple* couple,
202 const G4DynamicParti 202 const G4DynamicParticle* aDynamicParticle,
203 G4double,G4double) 203 G4double,G4double)
204 { 204 {
205 205
206 if (verboseLevel > 3) 206 if (verboseLevel > 3)
207 { 207 {
208 G4cout << 208 G4cout <<
209 "Calling SampleSecondaries() of G4D 209 "Calling SampleSecondaries() of G4DNAQuinnPlasmonExcitationModel"
210 << G4endl; 210 << G4endl;
211 } 211 }
212 212
213 const G4Material *material = couple->GetMate 213 const G4Material *material = couple->GetMaterial();
214 214
215 G4ParticleDefinition* particle = aDynamicPar 215 G4ParticleDefinition* particle = aDynamicParticle->GetDefinition();
216 216
217 G4double k = aDynamicPar 217 G4double k = aDynamicParticle->GetKineticEnergy();
218 218
219 if(particle == G4Electron::ElectronDefinitio 219 if(particle == G4Electron::ElectronDefinition())
220 { 220 {
221 G4double e = 1.; 221 G4double e = 1.;
222 G4int z = material->GetZ(); 222 G4int z = material->GetZ();
223 G4int Nve = 0; 223 G4int Nve = 0;
224 224
225 //TODO: have to be change to realistic!! 225 //TODO: have to be change to realistic!!
226 if(z<100) Nve = nValenceElectron[z]; 226 if(z<100) Nve = nValenceElectron[z];
227 227
228 G4double A = material->GetA()/g/mole 228 G4double A = material->GetA()/g/mole;
229 G4double Dens = material->GetDensity()/ 229 G4double Dens = material->GetDensity()/g*cm*cm*cm;
230 G4double veDens = Dens*CLHEP::Avogadro*Nv 230 G4double veDens = Dens*CLHEP::Avogadro*Nve/A;
231 231
232 G4double omega_p = std::sqrt(veDens*std::p 232 G4double omega_p = std::sqrt(veDens*std::pow(e,2)/
233 (CLHEP::epsilon0/(1./cm) 233 (CLHEP::epsilon0/(1./cm)*CLHEP::electron_mass_c2
234 /(CLHEP::c_squared/cm/cm 234 /(CLHEP::c_squared/cm/cm)));
235 235
236 G4double excitationEnergy = CLHEP::hbar_ 236 G4double excitationEnergy = CLHEP::hbar_Planck*omega_p;
237 G4double newEnergy = k - excitati 237 G4double newEnergy = k - excitationEnergy;
238 238
239 239
240 if (newEnergy > 0) 240 if (newEnergy > 0)
241 { 241 {
242 fParticleChangeForGamma-> 242 fParticleChangeForGamma->
243 ProposeMomentumDirection(aDynamicP 243 ProposeMomentumDirection(aDynamicParticle->GetMomentumDirection());
244 244
245 fParticleChangeForGamma->ProposeLocalEne 245 fParticleChangeForGamma->ProposeLocalEnergyDeposit(excitationEnergy);
246 246
247 if(!statCode) 247 if(!statCode)
248 { 248 {
249 fParticleChangeForGamma->SetPropose 249 fParticleChangeForGamma->SetProposedKineticEnergy(newEnergy);
250 } 250 }
251 else 251 else
252 { 252 {
253 fParticleChangeForGamma->SetPropose 253 fParticleChangeForGamma->SetProposedKineticEnergy(k);
254 254
255 } 255 }
256 } 256 }
257 } 257 }
258 } 258 }
259 259
260 //....oooOO0OOooo........oooOO0OOooo........oo 260 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
261 261
262 G4double G4DNAQuinnPlasmonExcitationModel::Get 262 G4double G4DNAQuinnPlasmonExcitationModel::GetCrossSection
263 (const G4Material* ma 263 (const G4Material* material,
264 const G4ParticleDefi 264 const G4ParticleDefinition* particle,
265 G4double kineticEner 265 G4double kineticEnergy)
266 { 266 {
267 G4double value=0; 267 G4double value=0;
268 268
269 if(particle == G4Electron::ElectronDefinitio 269 if(particle == G4Electron::ElectronDefinition())
270 { 270 {
271 G4double e = 1.; 271 G4double e = 1.;
272 G4int z = material->GetZ(); 272 G4int z = material->GetZ();
273 G4int Nve = 0; 273 G4int Nve = 0;
274 if(z<100) Nve = nValenceElectron[z]; 274 if(z<100) Nve = nValenceElectron[z];
275 G4double A = material->GetA()/g/mol 275 G4double A = material->GetA()/g/mole;
276 G4double Dens = material->GetDensity() 276 G4double Dens = material->GetDensity()/g*cm*cm*cm;
277 G4double veDens = Dens*CLHEP::Avogadro*N 277 G4double veDens = Dens*CLHEP::Avogadro*Nve/A;
278 278
279 G4double omega_p = std::sqrt(veDens*std:: 279 G4double omega_p = std::sqrt(veDens*std::pow(e,2)
280 /(CLHEP::epsilon0/(1./ 280 /(CLHEP::epsilon0/(1./cm)*CLHEP::electron_mass_c2/
281 (CLHEP::c_squared/cm/c 281 (CLHEP::c_squared/cm/cm)));
282 282
283 G4double fEnergy = std::pow(CLHEP::h_Plan 283 G4double fEnergy = std::pow(CLHEP::h_Planck,2)/(8*CLHEP::electron_mass_c2)*
284 std::pow(3*veDens/CLHE 284 std::pow(3*veDens/CLHEP::pi,2./3.)/e
285 *(CLHEP::c_squared/cm/ 285 *(CLHEP::c_squared/cm/cm);
286 286
287 G4double p0 = sqrt(2*CLHEP::electron 287 G4double p0 = sqrt(2*CLHEP::electron_mass_c2
288 /(CLHEP::c_squared/cm/ 288 /(CLHEP::c_squared/cm/cm)*fEnergy);
289 289
290 G4double p = sqrt(2*CLHEP::electron 290 G4double p = sqrt(2*CLHEP::electron_mass_c2
291 /(CLHEP::c_squared/cm/ 291 /(CLHEP::c_squared/cm/cm)*kineticEnergy);
292 292
293 G4double mfp = 2*CLHEP::Bohr_radius/c 293 G4double mfp = 2*CLHEP::Bohr_radius/cm*kineticEnergy
294 /(CLHEP::hbar_Planck*o 294 /(CLHEP::hbar_Planck*omega_p)/
295 (G4Log((std::pow(std:: 295 (G4Log((std::pow(std::pow(p0,2)
296 +2*CLHEP::electron_mas 296 +2*CLHEP::electron_mass_c2/
297 (CLHEP::c_squared/cm/c 297 (CLHEP::c_squared/cm/cm)*omega_p
298 *CLHEP::hbar_Planck,1. 298 *CLHEP::hbar_Planck,1./2.)-p0)
299 /(p-std::pow(std::pow( 299 /(p-std::pow(std::pow(p,2)-2*CLHEP::electron_mass_c2/
300 (CLHEP::c_squared/cm/c 300 (CLHEP::c_squared/cm/cm)*omega_p
301 *CLHEP::hbar_Planck,1. 301 *CLHEP::hbar_Planck,1./2.))));
302 302
303 G4double excitationEnergy = CLHEP::hbar 303 G4double excitationEnergy = CLHEP::hbar_Planck*omega_p;
304 304
305 if((0<mfp)&&(0<veDens)&&(excitationEnergy 305 if((0<mfp)&&(0<veDens)&&(excitationEnergy<kineticEnergy)){
306 value = 1./(veDens*mfp); 306 value = 1./(veDens*mfp);
307 } 307 }
308 } 308 }
309 return value*cm*cm; 309 return value*cm*cm;
310 } 310 }
311 311
312 //....oooOO0OOooo........oooOO0OOooo........oo 312 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
313 313
314 G4int G4DNAQuinnPlasmonExcitationModel::GetNVa 314 G4int G4DNAQuinnPlasmonExcitationModel::GetNValenceElectron(G4int z)
315 { 315 {
316 316
317 G4int Nve=0; 317 G4int Nve=0;
318 318
319 // Current limitation to gold 319 // Current limitation to gold
320 if (z!=79){return 0.;} 320 if (z!=79){return 0.;}
321 321
322 if (verboseLevel > 3) 322 if (verboseLevel > 3)
323 { 323 {
324 G4cout << 324 G4cout <<
325 "Calling GetNValenceElectron() of G 325 "Calling GetNValenceElectron() of G4DNAQuinnPlasmonExcitationModel"
326 << G4endl; 326 << G4endl;
327 } 327 }
328 328
329 const char *datadir=nullptr; 329 const char *datadir=nullptr;
330 330
331 if(datadir == nullptr) 331 if(datadir == nullptr)
332 { 332 {
333 datadir = G4FindDataDir("G4LEDATA"); 333 datadir = G4FindDataDir("G4LEDATA");
334 if(datadir == nullptr) 334 if(datadir == nullptr)
335 { 335 {
336 G4Exception("G4DNAQuinnPlasmonExcitatio 336 G4Exception("G4DNAQuinnPlasmonExcitationModel::GetNValenceElectron()"
337 ,"em0002",FatalException, 337 ,"em0002",FatalException,
338 "Enviroment variable G4LEDA 338 "Enviroment variable G4LEDATA not defined");
339 return 0; 339 return 0;
340 } 340 }
341 } 341 }
342 342
343 std::ostringstream targetfile; 343 std::ostringstream targetfile;
344 targetfile.str(""); 344 targetfile.str("");
345 targetfile.clear(stringstream::goodbit); 345 targetfile.clear(stringstream::goodbit);
346 targetfile << datadir <<"/dna/atomicstate_Z" 346 targetfile << datadir <<"/dna/atomicstate_Z"<< z <<".dat";
347 std::ifstream fin(targetfile.str().c_str()); 347 std::ifstream fin(targetfile.str().c_str());
348 348
349 if(!fin) 349 if(!fin)
350 { 350 {
351 G4cout<< " Error : "<< targetfile.str() << 351 G4cout<< " Error : "<< targetfile.str() <<" is not found "<<endl;
352 G4Exception("G4DNAQuinnPlasmonExcitationMo 352 G4Exception("G4DNAQuinnPlasmonExcitationModel::GetNValenceElectron()"
353 ,"em0003",FatalException, 353 ,"em0003",FatalException,
354 "There is no target file"); 354 "There is no target file");
355 return 0; 355 return 0;
356 } 356 }
357 357
358 string buff0,buff1,buff2,buff3,buff4,buff5,b 358 string buff0,buff1,buff2,buff3,buff4,buff5,buff6;
359 fin >> buff0 >>buff1>>buff2>>buff3>>buff4>>b 359 fin >> buff0 >>buff1>>buff2>>buff3>>buff4>>buff5>>buff6;
360 360
361 while(true){ 361 while(true){
362 fin >> buff0 >>buff1>>buff2>>buff3>>buff4> 362 fin >> buff0 >>buff1>>buff2>>buff3>>buff4>>buff5>>buff6;
363 if(!fin.eof()) 363 if(!fin.eof())
364 { 364 {
365 Nve = stoi(buff3); 365 Nve = stoi(buff3);
366 } 366 }
367 else 367 else
368 { 368 {
369 break; 369 break;
370 } 370 }
371 } 371 }
372 return Nve; 372 return Nve;
373 } 373 }
374 374
375 375