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25 // 25 //
26 // Based on the work of M. Terrissol and M. C. 26 // Based on the work of M. Terrissol and M. C. Bordage
27 // 27 //
28 // Users are requested to cite the following p 28 // Users are requested to cite the following papers:
29 // - M. Terrissol, A. Baudre, Radiat. Prot. Do 29 // - M. Terrissol, A. Baudre, Radiat. Prot. Dosim. 31 (1990) 175-177
30 // - M.C. Bordage, J. Bordes, S. Edel, M. Terr 30 // - M.C. Bordage, J. Bordes, S. Edel, M. Terrissol, X. Franceries,
31 // M. Bardies, N. Lampe, S. Incerti, Phys. M 31 // M. Bardies, N. Lampe, S. Incerti, Phys. Med. 32 (2016) 1833-1840
32 // 32 //
33 // Authors of this class: 33 // Authors of this class:
34 // M.C. Bordage, M. Terrissol, S. Edel, J. Bor 34 // M.C. Bordage, M. Terrissol, S. Edel, J. Bordes, S. Incerti
35 // 35 //
36 // 15.01.2014: creation 36 // 15.01.2014: creation
37 // 37 //
38 // 38 //
39 // Modified for Adenine material by S. Zein on 39 // Modified for Adenine material by S. Zein on 20.04.2021
40 // Based on the study by S. Zein et. al. Nucl. 40 // Based on the study by S. Zein et. al. Nucl. Inst. Meth. B 488 (2021) 70-82
41 41
42 #include "G4DNACPA100ExcitationStructure.hh" 42 #include "G4DNACPA100ExcitationStructure.hh"
43 43
44 #include "G4Material.hh" 44 #include "G4Material.hh"
45 #include "G4SystemOfUnits.hh" 45 #include "G4SystemOfUnits.hh"
46 G4DNACPA100ExcitationStructure::G4DNACPA100Exc 46 G4DNACPA100ExcitationStructure::G4DNACPA100ExcitationStructure()
47 { 47 {
48 fpGuanine = G4Material::GetMaterial("G4_GUAN 48 fpGuanine = G4Material::GetMaterial("G4_GUANINE", false);
49 fpG4_WATER = G4Material::GetMaterial("G4_WAT 49 fpG4_WATER = G4Material::GetMaterial("G4_WATER", false);
50 fpDeoxyribose = G4Material::GetMaterial("G4_ 50 fpDeoxyribose = G4Material::GetMaterial("G4_DEOXYRIBOSE", false);
51 fpCytosine = G4Material::GetMaterial("G4_CYT 51 fpCytosine = G4Material::GetMaterial("G4_CYTOSINE", false);
52 fpThymine = G4Material::GetMaterial("G4_THYM 52 fpThymine = G4Material::GetMaterial("G4_THYMINE", false);
53 fpAdenine = G4Material::GetMaterial("G4_ADEN 53 fpAdenine = G4Material::GetMaterial("G4_ADENINE", false);
54 fpPhosphate = G4Material::GetMaterial("G4_PH 54 fpPhosphate = G4Material::GetMaterial("G4_PHOSPHORIC_ACID", false);
55 55
56 if (fpGuanine != nullptr) { 56 if (fpGuanine != nullptr) {
57 InitialiseGuanine(); 57 InitialiseGuanine();
58 } 58 }
59 59
60 if (fpG4_WATER != nullptr) { 60 if (fpG4_WATER != nullptr) {
61 InitialiseWater(); 61 InitialiseWater();
62 } 62 }
63 63
64 if (fpDeoxyribose != nullptr) { 64 if (fpDeoxyribose != nullptr) {
65 InitialiseDeoxyribose(); 65 InitialiseDeoxyribose();
66 } 66 }
67 67
68 if (fpCytosine != nullptr) { 68 if (fpCytosine != nullptr) {
69 InitialiseCytosine(); 69 InitialiseCytosine();
70 } 70 }
71 71
72 if (fpThymine != nullptr) { 72 if (fpThymine != nullptr) {
73 InitialiseThymine(); 73 InitialiseThymine();
74 } 74 }
75 75
76 if (fpAdenine != nullptr) { 76 if (fpAdenine != nullptr) {
77 InitialiseAdenine(); 77 InitialiseAdenine();
78 } 78 }
79 79
80 if (fpPhosphate != nullptr) { 80 if (fpPhosphate != nullptr) {
81 InitialisePhosphate(); 81 InitialisePhosphate();
82 } 82 }
83 } 83 }
84 84
85 void G4DNACPA100ExcitationStructure::Initialis 85 void G4DNACPA100ExcitationStructure::InitialiseGuanine()
86 { 86 {
87 auto index = fpGuanine->GetIndex(); 87 auto index = fpGuanine->GetIndex();
88 fEnergyConstant[index].push_back(8.2315 * eV 88 fEnergyConstant[index].push_back(8.2315 * eV);
89 fEnergyConstant[index].push_back(11.0928 * e 89 fEnergyConstant[index].push_back(11.0928 * eV);
90 fEnergyConstant[index].push_back(11.5984 * e 90 fEnergyConstant[index].push_back(11.5984 * eV);
91 fEnergyConstant[index].push_back(11.7906 * e 91 fEnergyConstant[index].push_back(11.7906 * eV);
92 fEnergyConstant[index].push_back(11.9382 * e 92 fEnergyConstant[index].push_back(11.9382 * eV);
93 fEnergyConstant[index].push_back(12.4424 * e 93 fEnergyConstant[index].push_back(12.4424 * eV);
94 fEnergyConstant[index].push_back(13.3581 * e 94 fEnergyConstant[index].push_back(13.3581 * eV);
95 fEnergyConstant[index].push_back(15.1381 * e 95 fEnergyConstant[index].push_back(15.1381 * eV);
96 fEnergyConstant[index].push_back(16.4059 * e 96 fEnergyConstant[index].push_back(16.4059 * eV);
97 fEnergyConstant[index].push_back(16.496 * eV 97 fEnergyConstant[index].push_back(16.496 * eV);
98 fEnergyConstant[index].push_back(16.8457 * e 98 fEnergyConstant[index].push_back(16.8457 * eV);
99 fEnergyConstant[index].push_back(17.297 * eV 99 fEnergyConstant[index].push_back(17.297 * eV);
100 fEnergyConstant[index].push_back(18.0608 * e 100 fEnergyConstant[index].push_back(18.0608 * eV);
101 fEnergyConstant[index].push_back(18.441 * eV 101 fEnergyConstant[index].push_back(18.441 * eV);
102 fEnergyConstant[index].push_back(19.2414 * e 102 fEnergyConstant[index].push_back(19.2414 * eV);
103 103
104 fnLevels[index] = fEnergyConstant[index].siz 104 fnLevels[index] = fEnergyConstant[index].size();
105 } 105 }
106 void G4DNACPA100ExcitationStructure::Initialis 106 void G4DNACPA100ExcitationStructure::InitialiseWater()
107 { 107 {
108 auto index = fpG4_WATER->GetIndex(); 108 auto index = fpG4_WATER->GetIndex();
109 // The following values are extracted from t 109 // The following values are extracted from the thesis of S. Edel,
110 // Paul Sabatier University, Toulouse, Franc 110 // Paul Sabatier University, Toulouse, France, July 7, 2006
111 // Page 36 111 // Page 36
112 fEnergyConstant[index].push_back(8.17 * eV); 112 fEnergyConstant[index].push_back(8.17 * eV);
113 fEnergyConstant[index].push_back(10.13 * eV) 113 fEnergyConstant[index].push_back(10.13 * eV);
114 fEnergyConstant[index].push_back(11.31 * eV) 114 fEnergyConstant[index].push_back(11.31 * eV);
115 fEnergyConstant[index].push_back(12.91 * eV) 115 fEnergyConstant[index].push_back(12.91 * eV);
116 fEnergyConstant[index].push_back(14.50 * eV) 116 fEnergyConstant[index].push_back(14.50 * eV);
117 117
118 fUConstant[index].push_back(61.91 * eV); 118 fUConstant[index].push_back(61.91 * eV);
119 fUConstant[index].push_back(59.52 * eV); 119 fUConstant[index].push_back(59.52 * eV);
120 fUConstant[index].push_back(48.36 * eV); 120 fUConstant[index].push_back(48.36 * eV);
121 fUConstant[index].push_back(70.71 * eV); 121 fUConstant[index].push_back(70.71 * eV);
122 fUConstant[index].push_back(796.2 * eV); 122 fUConstant[index].push_back(796.2 * eV);
123 123
124 fnLevels[index] = fEnergyConstant[index].siz 124 fnLevels[index] = fEnergyConstant[index].size();
125 } 125 }
126 void G4DNACPA100ExcitationStructure::Initialis 126 void G4DNACPA100ExcitationStructure::InitialiseDeoxyribose()
127 { 127 {
128 auto index = fpDeoxyribose->GetIndex(); 128 auto index = fpDeoxyribose->GetIndex();
129 fEnergyConstant[index].push_back(11.2410 * e 129 fEnergyConstant[index].push_back(11.2410 * eV);
130 fEnergyConstant[index].push_back(11.7927 * e 130 fEnergyConstant[index].push_back(11.7927 * eV);
131 fEnergyConstant[index].push_back(12.6579 * e 131 fEnergyConstant[index].push_back(12.6579 * eV);
132 fEnergyConstant[index].push_back(12.8163 * e 132 fEnergyConstant[index].push_back(12.8163 * eV);
133 fEnergyConstant[index].push_back(13.3238 * e 133 fEnergyConstant[index].push_back(13.3238 * eV);
134 fEnergyConstant[index].push_back(13.9487 * e 134 fEnergyConstant[index].push_back(13.9487 * eV);
135 fEnergyConstant[index].push_back(14.4374 * e 135 fEnergyConstant[index].push_back(14.4374 * eV);
136 fEnergyConstant[index].push_back(14.7433 * e 136 fEnergyConstant[index].push_back(14.7433 * eV);
137 fEnergyConstant[index].push_back(15.0818 * e 137 fEnergyConstant[index].push_back(15.0818 * eV);
138 fEnergyConstant[index].push_back(15.6112 * e 138 fEnergyConstant[index].push_back(15.6112 * eV);
139 fEnergyConstant[index].push_back(16.0547 * e 139 fEnergyConstant[index].push_back(16.0547 * eV);
140 fEnergyConstant[index].push_back(16.8319 * e 140 fEnergyConstant[index].push_back(16.8319 * eV);
141 fEnergyConstant[index].push_back(17.4294 * e 141 fEnergyConstant[index].push_back(17.4294 * eV);
142 fEnergyConstant[index].push_back(18.0000 * e 142 fEnergyConstant[index].push_back(18.0000 * eV);
143 fEnergyConstant[index].push_back(18.2696 * e 143 fEnergyConstant[index].push_back(18.2696 * eV);
144 fEnergyConstant[index].push_back(18.6049 * e 144 fEnergyConstant[index].push_back(18.6049 * eV);
145 fEnergyConstant[index].push_back(19.8378 * e 145 fEnergyConstant[index].push_back(19.8378 * eV);
146 146
147 fnLevels[index] = fEnergyConstant[index].siz 147 fnLevels[index] = fEnergyConstant[index].size();
148 } 148 }
149 void G4DNACPA100ExcitationStructure::Initialis 149 void G4DNACPA100ExcitationStructure::InitialiseCytosine()
150 { 150 {
151 auto index = fpCytosine->GetIndex(); 151 auto index = fpCytosine->GetIndex();
152 // The following values are extracted from t 152 // The following values are extracted from the thesis of S. Edel,
153 fEnergyConstant[index].push_back(9.3222 * eV 153 fEnergyConstant[index].push_back(9.3222 * eV);
154 fEnergyConstant[index].push_back(10.4601 * e 154 fEnergyConstant[index].push_back(10.4601 * eV);
155 fEnergyConstant[index].push_back(11.3044 * e 155 fEnergyConstant[index].push_back(11.3044 * eV);
156 fEnergyConstant[index].push_back(11.9986 * e 156 fEnergyConstant[index].push_back(11.9986 * eV);
157 fEnergyConstant[index].push_back(13.4528 * e 157 fEnergyConstant[index].push_back(13.4528 * eV);
158 fEnergyConstant[index].push_back(14.7371 * e 158 fEnergyConstant[index].push_back(14.7371 * eV);
159 fEnergyConstant[index].push_back(16.2286 * e 159 fEnergyConstant[index].push_back(16.2286 * eV);
160 fEnergyConstant[index].push_back(16.5877 * e 160 fEnergyConstant[index].push_back(16.5877 * eV);
161 fEnergyConstant[index].push_back(17.0741 * e 161 fEnergyConstant[index].push_back(17.0741 * eV);
162 fEnergyConstant[index].push_back(17.1875 * e 162 fEnergyConstant[index].push_back(17.1875 * eV);
163 fEnergyConstant[index].push_back(18.638 * eV 163 fEnergyConstant[index].push_back(18.638 * eV);
164 fEnergyConstant[index].push_back(19.6884 * e 164 fEnergyConstant[index].push_back(19.6884 * eV);
165 fnLevels[index] = fEnergyConstant[index].siz 165 fnLevels[index] = fEnergyConstant[index].size();
166 } 166 }
167 void G4DNACPA100ExcitationStructure::Initialis 167 void G4DNACPA100ExcitationStructure::InitialiseThymine()
168 { 168 {
169 // The following values are extracted from t 169 // The following values are extracted from the thesis of S. Edel,
170 auto index = fpThymine->GetIndex(); 170 auto index = fpThymine->GetIndex();
171 171
172 fEnergyConstant[index].push_back(9.639 * eV) 172 fEnergyConstant[index].push_back(9.639 * eV);
173 fEnergyConstant[index].push_back(11.8278 * e 173 fEnergyConstant[index].push_back(11.8278 * eV);
174 fEnergyConstant[index].push_back(12.0876 * e 174 fEnergyConstant[index].push_back(12.0876 * eV);
175 fEnergyConstant[index].push_back(12.9656 * e 175 fEnergyConstant[index].push_back(12.9656 * eV);
176 fEnergyConstant[index].push_back(13.9555 * e 176 fEnergyConstant[index].push_back(13.9555 * eV);
177 fEnergyConstant[index].push_back(15.0774 * e 177 fEnergyConstant[index].push_back(15.0774 * eV);
178 fEnergyConstant[index].push_back(15.4078 * e 178 fEnergyConstant[index].push_back(15.4078 * eV);
179 fEnergyConstant[index].push_back(15.4689 * e 179 fEnergyConstant[index].push_back(15.4689 * eV);
180 fEnergyConstant[index].push_back(16.1964 * e 180 fEnergyConstant[index].push_back(16.1964 * eV);
181 fEnergyConstant[index].push_back(16.8955 * e 181 fEnergyConstant[index].push_back(16.8955 * eV);
182 fEnergyConstant[index].push_back(17.5018 * e 182 fEnergyConstant[index].push_back(17.5018 * eV);
183 fEnergyConstant[index].push_back(18.2979 * e 183 fEnergyConstant[index].push_back(18.2979 * eV);
184 fEnergyConstant[index].push_back(18.4495 * e 184 fEnergyConstant[index].push_back(18.4495 * eV);
185 fEnergyConstant[index].push_back(19.3186 * e 185 fEnergyConstant[index].push_back(19.3186 * eV);
186 fnLevels[index] = fEnergyConstant[index].siz 186 fnLevels[index] = fEnergyConstant[index].size();
187 } 187 }
188 void G4DNACPA100ExcitationStructure::Initialis 188 void G4DNACPA100ExcitationStructure::InitialiseAdenine()
189 { 189 {
190 auto index = fpAdenine->GetIndex(); 190 auto index = fpAdenine->GetIndex();
191 // The following values are extracted from t 191 // The following values are extracted from the thesis of S. Edel,
192 192
193 fEnergyConstant[index].push_back(8.5114 * eV 193 fEnergyConstant[index].push_back(8.5114 * eV);
194 fEnergyConstant[index].push_back(10.1294 * e 194 fEnergyConstant[index].push_back(10.1294 * eV);
195 fEnergyConstant[index].push_back(11.0606 * e 195 fEnergyConstant[index].push_back(11.0606 * eV);
196 fEnergyConstant[index].push_back(11.5849 * e 196 fEnergyConstant[index].push_back(11.5849 * eV);
197 fEnergyConstant[index].push_back(12.1533 * e 197 fEnergyConstant[index].push_back(12.1533 * eV);
198 fEnergyConstant[index].push_back(13.356 * eV 198 fEnergyConstant[index].push_back(13.356 * eV);
199 fEnergyConstant[index].push_back(13.6554 * e 199 fEnergyConstant[index].push_back(13.6554 * eV);
200 fEnergyConstant[index].push_back(15.3296 * e 200 fEnergyConstant[index].push_back(15.3296 * eV);
201 fEnergyConstant[index].push_back(16.179 * eV 201 fEnergyConstant[index].push_back(16.179 * eV);
202 fEnergyConstant[index].push_back(16.7676 * e 202 fEnergyConstant[index].push_back(16.7676 * eV);
203 fEnergyConstant[index].push_back(17.3489 * e 203 fEnergyConstant[index].push_back(17.3489 * eV);
204 fEnergyConstant[index].push_back(17.5568 * e 204 fEnergyConstant[index].push_back(17.5568 * eV);
205 fEnergyConstant[index].push_back(18.554 * eV 205 fEnergyConstant[index].push_back(18.554 * eV);
206 fEnergyConstant[index].push_back(19.0866 * e 206 fEnergyConstant[index].push_back(19.0866 * eV);
207 fnLevels[index] = fEnergyConstant[index].siz 207 fnLevels[index] = fEnergyConstant[index].size();
208 } 208 }
209 void G4DNACPA100ExcitationStructure::Initialis 209 void G4DNACPA100ExcitationStructure::InitialisePhosphate()
210 { 210 {
211 // The following values are extracted from t 211 // The following values are extracted from the thesis of S. Edel,
212 auto index = fpPhosphate->GetIndex(); 212 auto index = fpPhosphate->GetIndex();
213 fEnergyConstant[index].push_back(12.9963 * e 213 fEnergyConstant[index].push_back(12.9963 * eV);
214 fEnergyConstant[index].push_back(12.9972 * e 214 fEnergyConstant[index].push_back(12.9972 * eV);
215 fEnergyConstant[index].push_back(14.3109 * e 215 fEnergyConstant[index].push_back(14.3109 * eV);
216 fEnergyConstant[index].push_back(15.2221 * e 216 fEnergyConstant[index].push_back(15.2221 * eV);
217 fEnergyConstant[index].push_back(16.0591 * e 217 fEnergyConstant[index].push_back(16.0591 * eV);
218 fEnergyConstant[index].push_back(16.0622 * e 218 fEnergyConstant[index].push_back(16.0622 * eV);
219 fEnergyConstant[index].push_back(17.6365 * e 219 fEnergyConstant[index].push_back(17.6365 * eV);
220 fEnergyConstant[index].push_back(17.6401 * e 220 fEnergyConstant[index].push_back(17.6401 * eV);
221 fEnergyConstant[index].push_back(18.8803 * e 221 fEnergyConstant[index].push_back(18.8803 * eV);
222 fnLevels[index] = fEnergyConstant[index].siz 222 fnLevels[index] = fEnergyConstant[index].size();
223 } 223 }
224 224
225 //....oooOO0OOooo........oooOO0OOooo........oo 225 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo....
226 226
227 G4double G4DNACPA100ExcitationStructure::Excit 227 G4double G4DNACPA100ExcitationStructure::ExcitationEnergy(const std::size_t& level,
228 228 const std::size_t& MatID)
229 { 229 {
230 G4double ionisation = 0.; 230 G4double ionisation = 0.;
231 231
232 if (level < fnLevels[MatID]) { 232 if (level < fnLevels[MatID]) {
233 ionisation = fEnergyConstant[MatID][level] 233 ionisation = fEnergyConstant[MatID][level];
234 } 234 }
235 else { 235 else {
236 std::ostringstream oss; 236 std::ostringstream oss;
237 oss << " material was not found. "; 237 oss << " material was not found. ";
238 G4Exception("G4DNACPA100ExcitationStructur 238 G4Exception("G4DNACPA100ExcitationStructure::ExcitationEnergy", "CPA001", FatalException,
239 oss.str().c_str()); 239 oss.str().c_str());
240 } 240 }
241 241
242 return ionisation; 242 return ionisation;
243 } 243 }
244 244
245 //....oooOO0OOooo........oooOO0OOooo........oo 245 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo....
246 246
247 G4double G4DNACPA100ExcitationStructure::UEner 247 G4double G4DNACPA100ExcitationStructure::UEnergy(const std::size_t& level, const std::size_t& MatID)
248 { 248 {
249 G4double UEnergy = 0.; 249 G4double UEnergy = 0.;
250 if (level < fnLevels[MatID]) { 250 if (level < fnLevels[MatID]) {
251 UEnergy = fUConstant[MatID][level]; 251 UEnergy = fUConstant[MatID][level];
252 } 252 }
253 else { 253 else {
254 std::ostringstream oss; 254 std::ostringstream oss;
255 oss << " material was not found. "; 255 oss << " material was not found. ";
256 G4Exception("G4DNACPA100ExcitationStructur 256 G4Exception("G4DNACPA100ExcitationStructure::ExcitationEnergy", "CPA001", FatalException,
257 oss.str().c_str()); 257 oss.str().c_str());
258 } 258 }
259 259
260 return UEnergy; 260 return UEnergy;
261 } 261 }
262 262