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