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1 // 2 // ******************************************************************** 3 // * License and Disclaimer * 4 // * * 5 // * The Geant4 software is copyright of the Copyright Holders of * 6 // * the Geant4 Collaboration. It is provided under the terms and * 7 // * conditions of the Geant4 Software License, included in the file * 8 // * LICENSE and available at http://cern.ch/geant4/license . These * 9 // * include a list of copyright holders. * 10 // * * 11 // * Neither the authors of this software system, nor their employing * 12 // * institutes,nor the agencies providing financial support for this * 13 // * work make any representation or warranty, express or implied, * 14 // * regarding this software system or assume any liability for its * 15 // * use. Please see the license in the file LICENSE and URL above * 16 // * for the full disclaimer and the limitation of liability. * 17 // * * 18 // * This code implementation is the result of the scientific and * 19 // * technical work of the GEANT4 collaboration. * 20 // * By using, copying, modifying or distributing the software (or * 21 // * any work based on the software) you agree to acknowledge its * 22 // * use in resulting scientific publications, and indicate your * 23 // * acceptance of all terms of the Geant4 Software license. * 24 // ******************************************************************** 25 // 26 // Based on the work of M. Terrissol and M. C. Bordage 27 // 28 // Users are requested to cite the following papers: 29 // - M. Terrissol, A. Baudre, Radiat. Prot. Dosim. 31 (1990) 175-177 30 // - M.C. Bordage, J. Bordes, S. Edel, M. Terrissol, X. Franceries, 31 // M. Bardies, N. Lampe, S. Incerti, Phys. Med. 32 (2016) 1833-1840 32 // 33 // Authors of this class: 34 // M.C. Bordage, M. Terrissol, S. Edel, J. Bordes, S. Incerti 35 // 36 // 15.01.2014: creation 37 // 38 // 39 // Modified for Adenine material by S. Zein on 20.04.2021 40 // Based on the study by S. Zein et. al. Nucl. Inst. Meth. B 488 (2021) 70-82 41 42 #include "G4DNACPA100IonisationStructure.hh" 43 44 #include "G4Material.hh" 45 #include "G4SystemOfUnits.hh" 46 47 G4DNACPA100IonisationStructure::G4DNACPA100IonisationStructure() 48 { 49 fpGuanine = G4Material::GetMaterial("G4_GUANINE", false); 50 fpG4_WATER = G4Material::GetMaterial("G4_WATER", false); 51 fpDeoxyribose = G4Material::GetMaterial("G4_DEOXYRIBOSE", false); 52 fpCytosine = G4Material::GetMaterial("G4_CYTOSINE", false); 53 fpThymine = G4Material::GetMaterial("G4_THYMINE", false); 54 fpAdenine = G4Material::GetMaterial("G4_ADENINE", false); 55 fpPhosphate = G4Material::GetMaterial("G4_PHOSPHORIC_ACID", false); 56 57 if (fpGuanine != nullptr) { 58 InitialiseGuanine(); 59 } 60 61 if (fpG4_WATER != nullptr) { 62 InitialiseWater(); 63 } 64 65 if (fpDeoxyribose != nullptr) { 66 InitialiseDeoxyribose(); 67 } 68 69 if (fpCytosine != nullptr) { 70 InitialiseCytosine(); 71 } 72 73 if (fpThymine != nullptr) { 74 InitialiseThymine(); 75 } 76 77 if (fpAdenine != nullptr) { 78 InitialiseAdenine(); 79 } 80 81 if (fpPhosphate != nullptr) { 82 InitialisePhosphate(); 83 } 84 } 85 86 void G4DNACPA100IonisationStructure::InitialiseGuanine() 87 { 88 auto index = fpGuanine->GetIndex(); 89 /// Guanine has 39 ionization levels 90 91 fEnergyConstant[index].push_back(8.2315 * eV); 92 fEnergyConstant[index].push_back(11.0928 * eV); 93 fEnergyConstant[index].push_back(11.5984 * eV); 94 fEnergyConstant[index].push_back(11.7906 * eV); 95 fEnergyConstant[index].push_back(11.9382 * eV); 96 fEnergyConstant[index].push_back(12.4424 * eV); 97 fEnergyConstant[index].push_back(13.3581 * eV); 98 fEnergyConstant[index].push_back(15.1381 * eV); 99 fEnergyConstant[index].push_back(16.4059 * eV); 100 fEnergyConstant[index].push_back(16.496 * eV); 101 fEnergyConstant[index].push_back(16.8457 * eV); 102 fEnergyConstant[index].push_back(17.297 * eV); 103 fEnergyConstant[index].push_back(18.0608 * eV); 104 fEnergyConstant[index].push_back(18.441 * eV); 105 fEnergyConstant[index].push_back(19.2414 * eV); 106 fEnergyConstant[index].push_back(20.0877 * eV); 107 fEnergyConstant[index].push_back(20.3321 * eV); 108 fEnergyConstant[index].push_back(22.0153 * eV); 109 fEnergyConstant[index].push_back(22.9048 * eV); 110 fEnergyConstant[index].push_back(24.2447 * eV); 111 fEnergyConstant[index].push_back(24.692 * eV); 112 fEnergyConstant[index].push_back(28.2049 * eV); 113 fEnergyConstant[index].push_back(32.1299 * eV); 114 fEnergyConstant[index].push_back(33.2774 * eV); 115 fEnergyConstant[index].push_back(33.3958 * eV); 116 fEnergyConstant[index].push_back(36.6377 * eV); 117 fEnergyConstant[index].push_back(37.3483 * eV); 118 fEnergyConstant[index].push_back(38.3743 * eV); 119 fEnergyConstant[index].push_back(305.7284 * eV); 120 fEnergyConstant[index].push_back(307.4187 * eV); 121 fEnergyConstant[index].push_back(307.8468 * eV); 122 fEnergyConstant[index].push_back(308.9415 * eV); 123 fEnergyConstant[index].push_back(309.8057 * eV); 124 fEnergyConstant[index].push_back(423.1456 * eV); 125 fEnergyConstant[index].push_back(423.2615 * eV); 126 fEnergyConstant[index].push_back(424.5211 * eV); 127 fEnergyConstant[index].push_back(425.006 * eV); 128 fEnergyConstant[index].push_back(425.0315 * eV); 129 fEnergyConstant[index].push_back(558.2487 * eV); 130 fnLevels[index] = fEnergyConstant[index].size(); 131 } 132 133 void G4DNACPA100IonisationStructure::InitialiseWater() 134 { 135 auto index = fpG4_WATER->GetIndex(); 136 // The following values are extracted from the thesis of S. Edel, 137 // Paul Sabatier University, Toulouse, France, July 7, 2006 138 // Page 36 139 fEnergyConstant[index].push_back(10.79 * eV); 140 fEnergyConstant[index].push_back(13.39 * eV); 141 fEnergyConstant[index].push_back(16.05 * eV); 142 fEnergyConstant[index].push_back(32.30 * eV); 143 fEnergyConstant[index].push_back(539.0 * eV); 144 145 fUConstant[index].push_back(61.91 * eV); 146 fUConstant[index].push_back(59.52 * eV); 147 fUConstant[index].push_back(48.36 * eV); 148 fUConstant[index].push_back(70.71 * eV); 149 fUConstant[index].push_back(796.2 * eV); 150 fnLevels[index] = fEnergyConstant[index].size(); 151 } 152 153 void G4DNACPA100IonisationStructure::InitialiseDeoxyribose() 154 { 155 auto index = fpDeoxyribose->GetIndex(); 156 fEnergyConstant[index].push_back(11.241 * eV); 157 fEnergyConstant[index].push_back(11.7927 * eV); 158 fEnergyConstant[index].push_back(12.6579 * eV); 159 fEnergyConstant[index].push_back(12.8163 * eV); 160 fEnergyConstant[index].push_back(13.3238 * eV); 161 fEnergyConstant[index].push_back(13.9487 * eV); 162 fEnergyConstant[index].push_back(14.4374 * eV); 163 fEnergyConstant[index].push_back(14.7433 * eV); 164 fEnergyConstant[index].push_back(15.0818 * eV); 165 fEnergyConstant[index].push_back(15.6112 * eV); 166 fEnergyConstant[index].push_back(16.0547 * eV); 167 fEnergyConstant[index].push_back(16.8319 * eV); 168 fEnergyConstant[index].push_back(17.4294 * eV); 169 fEnergyConstant[index].push_back(18.0 * eV); 170 fEnergyConstant[index].push_back(18.2696 * eV); 171 fEnergyConstant[index].push_back(18.6049 * eV); 172 fEnergyConstant[index].push_back(19.8378 * eV); 173 fEnergyConstant[index].push_back(20.5787 * eV); 174 fEnergyConstant[index].push_back(22.0146 * eV); 175 fEnergyConstant[index].push_back(22.9176 * eV); 176 fEnergyConstant[index].push_back(24.9005 * eV); 177 fEnergyConstant[index].push_back(28.0268 * eV); 178 fEnergyConstant[index].push_back(28.7417 * eV); 179 fEnergyConstant[index].push_back(36.9571 * eV); 180 fEnergyConstant[index].push_back(37.1881 * eV); 181 fEnergyConstant[index].push_back(37.5798 * eV); 182 fEnergyConstant[index].push_back(39.2622 * eV); 183 fEnergyConstant[index].push_back(305.446 * eV); 184 fEnergyConstant[index].push_back(306.6421 * eV); 185 fEnergyConstant[index].push_back(306.8925 * eV); 186 fEnergyConstant[index].push_back(307.0377 * eV); 187 fEnergyConstant[index].push_back(308.5849 * eV); 188 fEnergyConstant[index].push_back(559.0236 * eV); 189 fEnergyConstant[index].push_back(559.3832 * eV); 190 fEnergyConstant[index].push_back(559.6416 * eV); 191 fEnergyConstant[index].push_back(559.7734 * eV); 192 193 fnLevels[index] = fEnergyConstant[index].size(); 194 } 195 196 void G4DNACPA100IonisationStructure::InitialiseCytosine() 197 { 198 auto index = fpCytosine->GetIndex(); 199 /// Cytosine has 29 ionization levels 200 fEnergyConstant[index].push_back(9.3222 * eV); 201 fEnergyConstant[index].push_back(10.4601 * eV); 202 fEnergyConstant[index].push_back(11.3044 * eV); 203 fEnergyConstant[index].push_back(11.9986 * eV); 204 fEnergyConstant[index].push_back(13.4528 * eV); 205 fEnergyConstant[index].push_back(14.7371 * eV); 206 fEnergyConstant[index].push_back(16.2286 * eV); 207 fEnergyConstant[index].push_back(16.5877 * eV); 208 fEnergyConstant[index].push_back(17.0741 * eV); 209 fEnergyConstant[index].push_back(17.1875 * eV); 210 fEnergyConstant[index].push_back(18.638 * eV); 211 fEnergyConstant[index].push_back(19.6884 * eV); 212 fEnergyConstant[index].push_back(20.8713 * eV); 213 fEnergyConstant[index].push_back(20.9056 * eV); 214 fEnergyConstant[index].push_back(24.0179 * eV); 215 fEnergyConstant[index].push_back(24.5543 * eV); 216 fEnergyConstant[index].push_back(29.0576 * eV); 217 fEnergyConstant[index].push_back(32.0504 * eV); 218 fEnergyConstant[index].push_back(34.5499 * eV); 219 fEnergyConstant[index].push_back(35.5664 * eV); 220 fEnergyConstant[index].push_back(38.0707 * eV); 221 fEnergyConstant[index].push_back(305.7622 * eV); 222 fEnergyConstant[index].push_back(307.9891 * eV); 223 fEnergyConstant[index].push_back(308.674 * eV); 224 fEnergyConstant[index].push_back(309.0146 * eV); 225 fEnergyConstant[index].push_back(422.5331 * eV); 226 fEnergyConstant[index].push_back(424.1245 * eV); 227 fEnergyConstant[index].push_back(424.7781 * eV); 228 fEnergyConstant[index].push_back(557.6346 * eV); 229 fnLevels[index] = fEnergyConstant[index].size(); 230 } 231 232 void G4DNACPA100IonisationStructure::InitialiseThymine() 233 { 234 // The following values are extracted from the thesis of S. Edel, 235 auto index = fpThymine->GetIndex(); 236 237 /// THYMINE has 33 ionization levels 238 239 fEnergyConstant[index].push_back(9.639 * eV); 240 fEnergyConstant[index].push_back(11.8278 * eV); 241 fEnergyConstant[index].push_back(12.0876 * eV); 242 fEnergyConstant[index].push_back(12.9656 * eV); 243 fEnergyConstant[index].push_back(13.9555 * eV); 244 fEnergyConstant[index].push_back(15.0774 * eV); 245 fEnergyConstant[index].push_back(15.4078 * eV); 246 fEnergyConstant[index].push_back(15.4689 * eV); 247 fEnergyConstant[index].push_back(16.1964 * eV); 248 fEnergyConstant[index].push_back(16.8955 * eV); 249 fEnergyConstant[index].push_back(17.5018 * eV); 250 fEnergyConstant[index].push_back(18.2979 * eV); 251 fEnergyConstant[index].push_back(18.4495 * eV); 252 fEnergyConstant[index].push_back(19.3186 * eV); 253 fEnergyConstant[index].push_back(20.9944 * eV); 254 fEnergyConstant[index].push_back(21.0797 * eV); 255 fEnergyConstant[index].push_back(24.3676 * eV); 256 fEnergyConstant[index].push_back(24.9072 * eV); 257 fEnergyConstant[index].push_back(26.3981 * eV); 258 fEnergyConstant[index].push_back(30.1684 * eV); 259 fEnergyConstant[index].push_back(33.9007 * eV); 260 fEnergyConstant[index].push_back(35.6553 * eV); 261 fEnergyConstant[index].push_back(38.4935 * eV); 262 fEnergyConstant[index].push_back(39.3191 * eV); 263 fEnergyConstant[index].push_back(305.6808 * eV); 264 fEnergyConstant[index].push_back(306.1885 * eV); 265 fEnergyConstant[index].push_back(307.9374 * eV); 266 fEnergyConstant[index].push_back(309.3127 * eV); 267 fEnergyConstant[index].push_back(310.2121 * eV); 268 fEnergyConstant[index].push_back(424.8945 * eV); 269 fEnergyConstant[index].push_back(425.2178 * eV); 270 fEnergyConstant[index].push_back(558.7154 * eV); 271 fEnergyConstant[index].push_back(558.8106 * eV); 272 fnLevels[index] = fEnergyConstant[index].size(); 273 } 274 275 void G4DNACPA100IonisationStructure::InitialiseAdenine() 276 { 277 auto index = fpAdenine->GetIndex(); 278 /// Adenine has 35 ionization levels 279 280 fEnergyConstant[index].push_back(8.5114 * eV); 281 fEnergyConstant[index].push_back(10.1294 * eV); 282 fEnergyConstant[index].push_back(11.0606 * eV); 283 fEnergyConstant[index].push_back(11.5849 * eV); 284 fEnergyConstant[index].push_back(12.1533 * eV); 285 fEnergyConstant[index].push_back(13.356 * eV); 286 fEnergyConstant[index].push_back(13.6554 * eV); 287 fEnergyConstant[index].push_back(15.3296 * eV); 288 fEnergyConstant[index].push_back(16.179 * eV); 289 fEnergyConstant[index].push_back(16.7676 * eV); 290 fEnergyConstant[index].push_back(17.3489 * eV); 291 fEnergyConstant[index].push_back(17.5568 * eV); 292 fEnergyConstant[index].push_back(18.554 * eV); 293 fEnergyConstant[index].push_back(19.0866 * eV); 294 fEnergyConstant[index].push_back(20.2559 * eV); 295 fEnergyConstant[index].push_back(21.4027 * eV); 296 fEnergyConstant[index].push_back(23.0384 * eV); 297 fEnergyConstant[index].push_back(23.9742 * eV); 298 fEnergyConstant[index].push_back(24.479 * eV); 299 fEnergyConstant[index].push_back(28.3224 * eV); 300 fEnergyConstant[index].push_back(31.4796 * eV); 301 fEnergyConstant[index].push_back(32.4597 * eV); 302 fEnergyConstant[index].push_back(34.1263 * eV); 303 fEnergyConstant[index].push_back(35.6423 * eV); 304 fEnergyConstant[index].push_back(37.5026 * eV); 305 fEnergyConstant[index].push_back(305.9305 * eV); 306 fEnergyConstant[index].push_back(307.4532 * eV); 307 fEnergyConstant[index].push_back(307.6866 * eV); 308 fEnergyConstant[index].push_back(307.8303 * eV); 309 fEnergyConstant[index].push_back(308.2887 * eV); 310 fEnergyConstant[index].push_back(422.8443 * eV); 311 fEnergyConstant[index].push_back(423.0296 * eV); 312 fEnergyConstant[index].push_back(423.3954 * eV); 313 fEnergyConstant[index].push_back(423.8101 * eV); 314 fEnergyConstant[index].push_back(425.0749 * eV); 315 fnLevels[index] = fEnergyConstant[index].size(); 316 } 317 318 void G4DNACPA100IonisationStructure::InitialisePhosphate() 319 { 320 auto index = fpPhosphate->GetIndex(); 321 /// Phosphate has 25 ionization levels 322 323 fEnergyConstant[index].push_back(12.9963 * eV); 324 fEnergyConstant[index].push_back(12.9972 * eV); 325 fEnergyConstant[index].push_back(14.3109 * eV); 326 fEnergyConstant[index].push_back(15.2221 * eV); 327 fEnergyConstant[index].push_back(16.0591 * eV); 328 fEnergyConstant[index].push_back(16.0622 * eV); 329 fEnergyConstant[index].push_back(17.6365 * eV); 330 fEnergyConstant[index].push_back(17.6401 * eV); 331 fEnergyConstant[index].push_back(18.8803 * eV); 332 fEnergyConstant[index].push_back(20.6975 * eV); 333 fEnergyConstant[index].push_back(20.7054 * eV); 334 fEnergyConstant[index].push_back(24.2764 * eV); 335 fEnergyConstant[index].push_back(35.6676 * eV); 336 fEnergyConstant[index].push_back(38.1681 * eV); 337 fEnergyConstant[index].push_back(38.1685 * eV); 338 fEnergyConstant[index].push_back(40.1946 * eV); 339 fEnergyConstant[index].push_back(150.138 * eV); 340 fEnergyConstant[index].push_back(150.1381 * eV); 341 fEnergyConstant[index].push_back(150.1414 * eV); 342 fEnergyConstant[index].push_back(207.3392 * eV); 343 fEnergyConstant[index].push_back(558.1119 * eV); 344 fEnergyConstant[index].push_back(560.5803 * eV); 345 fEnergyConstant[index].push_back(560.5808 * eV); 346 fEnergyConstant[index].push_back(560.5817 * eV); 347 fEnergyConstant[index].push_back(2179.592 * eV); 348 fnLevels[index] = fEnergyConstant[index].size(); 349 } 350 351 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo.... 352 353 G4double G4DNACPA100IonisationStructure::IonisationEnergy(const std::size_t& level, 354 const std::size_t& MatID) 355 { 356 G4double ionisation = 0.; 357 358 if (level < fnLevels[MatID]) { 359 ionisation = fEnergyConstant[MatID][level]; 360 } 361 else { 362 std::ostringstream oss; 363 oss << " material was not found. "; 364 G4Exception("G4DNACPA100IonisationStructure::IonisationEnergy", "CPA013", FatalException, 365 oss.str().c_str()); 366 } 367 368 return ionisation; 369 } 370 371 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo.... 372 373 G4double G4DNACPA100IonisationStructure::UEnergy(const std::size_t& level, const std::size_t& MatID) 374 { 375 G4double UEnergy = 0.; 376 if (level < fnLevels[MatID]) { 377 UEnergy = fUConstant[MatID][level]; 378 } 379 else { 380 std::ostringstream oss; 381 oss << " material was not found. "; 382 G4Exception("G4DNACPA100IonisationStructure::IonisationEnergy", "CPA001", FatalException, 383 oss.str().c_str()); 384 } 385 386 return UEnergy; 387 } 388