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>> 22 //
>> 23 //
>> 24 // $Id: G4IonisParamMat.cc,v 1.12 2004/09/06 15:50:47 vnivanch Exp $
>> 25 // GEANT4 tag $Name: materials-V06-02-01 $
>> 26 //
>> 27 //
>> 28 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo.... ....oooOO0OOooo....
25 29
26 // 09-07-98, data moved from G4Material, M.Mai << 30 // 06-09-04, Factor 2 to shell correction term (V.Ivanchenko)
27 // 18-07-98, bug corrected in ComputeDensityEf <<
28 // 16-01-01, bug corrected in ComputeDensityEf <<
29 // 08-02-01, fShellCorrectionVector correctly <<
30 // 28-10-02, add setMeanExcitationEnergy (V.Iv 31 // 28-10-02, add setMeanExcitationEnergy (V.Ivanchenko)
31 // 06-09-04, factor 2 to shell correction term << 32 // 08-02-01, fShellCorrectionVector correctly handled (mma)
32 // 10-05-05, add a missing coma in FindMeanExc << 33 // 16-01-01, bug corrected in ComputeDensityEffect() E100eV (L.Urban)
33 // 27-09-07, add computation of parameters for << 34 // 18-07-98, bug corrected in ComputeDensityEffect() for gas
34 // 04-03-08, remove reference to G4NistManager << 35 // 09-07-98, data moved from G4Material, M.Maire
35 // 30-10-09, add G4DensityEffectData class and <<
36 36
37 #include "G4IonisParamMat.hh" << 37 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo.... ....oooOO0OOooo....
38 38
39 #include "G4AtomicShells.hh" << 39 #include "G4IonisParamMat.hh"
40 #include "G4AutoLock.hh" <<
41 #include "G4DensityEffectData.hh" <<
42 #include "G4Exp.hh" <<
43 #include "G4Log.hh" <<
44 #include "G4Material.hh" 40 #include "G4Material.hh"
45 #include "G4NistManager.hh" <<
46 #include "G4PhysicalConstants.hh" <<
47 #include "G4Pow.hh" <<
48 #include "G4SystemOfUnits.hh" <<
49 <<
50 G4DensityEffectData* G4IonisParamMat::fDensity <<
51 <<
52 namespace <<
53 { <<
54 G4Mutex ionisMutex = G4MUTEX_INITIALIZER; <<
55 } <<
56 41
57 //....oooOO0OOooo........oooOO0OOooo........oo 42 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo.... ....oooOO0OOooo....
58 43
59 G4IonisParamMat::G4IonisParamMat(const G4Mater << 44 G4IonisParamMat::G4IonisParamMat(G4Material* material)
>> 45 :fMaterial(material)
60 { 46 {
61 fBirks = 0.; <<
62 fMeanEnergyPerIon = 0.0; <<
63 twoln10 = 2. * G4Pow::GetInstance()->logZ(10 <<
64 <<
65 // minimal set of default parameters for den <<
66 fCdensity = 0.0; <<
67 fD0density = 0.0; <<
68 fAdjustmentFactor = 1.0; <<
69 if (fDensityData == nullptr) { <<
70 fDensityData = new G4DensityEffectData(); <<
71 } <<
72 fDensityEffectCalc = nullptr; <<
73 <<
74 // compute parameters <<
75 ComputeMeanParameters(); 47 ComputeMeanParameters();
76 ComputeDensityEffectParameters(); << 48 ComputeDensityEffect();
77 ComputeFluctModel(); 49 ComputeFluctModel();
78 ComputeIonParameters(); <<
79 } <<
80 <<
81 //....oooOO0OOooo........oooOO0OOooo........oo <<
82 <<
83 G4IonisParamMat::~G4IonisParamMat() <<
84 { <<
85 delete fDensityEffectCalc; <<
86 delete[] fShellCorrectionVector; <<
87 delete fDensityData; <<
88 fDensityData = nullptr; <<
89 fShellCorrectionVector = nullptr; <<
90 fDensityEffectCalc = nullptr; <<
91 } <<
92 <<
93 //....oooOO0OOooo........oooOO0OOooo........oo <<
94 <<
95 G4double G4IonisParamMat::GetDensityCorrection <<
96 { <<
97 // x = log10(beta*gamma) <<
98 G4double y = 0.0; <<
99 if (x < fX0density) { <<
100 if (fD0density > 0.0) { <<
101 y = fD0density * G4Exp(twoln10 * (x - fX <<
102 } <<
103 } <<
104 else if (x >= fX1density) { <<
105 y = twoln10 * x - fCdensity; <<
106 } <<
107 else { <<
108 y = twoln10 * x - fCdensity + fAdensity * <<
109 } <<
110 return y; <<
111 } 50 }
112 51
113 //....oooOO0OOooo........oooOO0OOooo........oo 52 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo.... ....oooOO0OOooo....
114 53
115 void G4IonisParamMat::ComputeMeanParameters() 54 void G4IonisParamMat::ComputeMeanParameters()
116 { 55 {
117 // compute mean excitation energy and shell 56 // compute mean excitation energy and shell correction vector
118 fTaul = (*(fMaterial->GetElementVector()))[0 <<
119 57
120 std::size_t nElements = fMaterial->GetNumber << 58 fTaul = (*(fMaterial->GetElementVector()))[0]->GetIonisation()->GetTaul();
121 const G4ElementVector* elmVector = fMaterial <<
122 const G4double* nAtomsPerVolume = fMaterial- <<
123 59
124 fMeanExcitationEnergy = FindMeanExcitationEn << 60 fMeanExcitationEnergy = 0.;
125 fLogMeanExcEnergy = 0.; 61 fLogMeanExcEnergy = 0.;
126 62
127 // Chemical formula defines mean excitation <<
128 if (fMeanExcitationEnergy > 0.0) { <<
129 fLogMeanExcEnergy = G4Log(fMeanExcitationE <<
130 63
131 // Compute average << 64 for (size_t i=0; i < fMaterial->GetNumberOfElements(); i++) {
132 } << 65 fLogMeanExcEnergy += (fMaterial->GetVecNbOfAtomsPerVolume())[i]
133 else { << 66 *((*(fMaterial->GetElementVector()))[i]->GetZ())
134 for (std::size_t i = 0; i < nElements; ++i << 67 *log((*(fMaterial->GetElementVector()))[i]->GetIonisation()
135 const G4Element* elm = (*elmVector)[i]; << 68 ->GetMeanExcitationEnergy());
136 fLogMeanExcEnergy += <<
137 nAtomsPerVolume[i] * elm->GetZ() * G4L <<
138 } <<
139 fLogMeanExcEnergy /= fMaterial->GetTotNbOf <<
140 fMeanExcitationEnergy = G4Exp(fLogMeanExcE <<
141 } 69 }
142 70
>> 71 fLogMeanExcEnergy /= fMaterial->GetTotNbOfElectPerVolume();
>> 72 fMeanExcitationEnergy = exp(fLogMeanExcEnergy);
>> 73
143 fShellCorrectionVector = new G4double[3]; 74 fShellCorrectionVector = new G4double[3];
144 75
145 for (G4int j = 0; j <= 2; ++j) { << 76 for (G4int j=0; j<=2; j++)
>> 77 {
146 fShellCorrectionVector[j] = 0.; 78 fShellCorrectionVector[j] = 0.;
147 79
148 for (std::size_t k = 0; k < nElements; ++k << 80 for (size_t k=0; k<fMaterial->GetNumberOfElements(); k++) {
149 fShellCorrectionVector[j] += << 81 fShellCorrectionVector[j] += (fMaterial->GetVecNbOfAtomsPerVolume())[k]
150 nAtomsPerVolume[k] * (((*elmVector)[k] << 82 *((*(fMaterial->GetElementVector()))[k]->GetIonisation()
>> 83 ->GetShellCorrectionVector()[j]);
151 } 84 }
152 fShellCorrectionVector[j] *= 2.0 / fMateri << 85 fShellCorrectionVector[j] *= 2.0/fMaterial->GetTotNbOfElectPerVolume();
153 } << 86 }
154 } 87 }
155 88
156 //....oooOO0OOooo........oooOO0OOooo........oo 89 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo.... ....oooOO0OOooo....
157 << 90
158 G4DensityEffectData* G4IonisParamMat::GetDensi << 91 void G4IonisParamMat::ComputeDensityEffect()
159 return fDensityData; <<
160 } <<
161 <<
162 //....oooOO0OOooo........oooOO0OOooo........oo <<
163 <<
164 void G4IonisParamMat::ComputeDensityEffectPara <<
165 { 92 {
166 G4State State = fMaterial->GetState(); << 93 // Compute parameters for the density effect correction in DE/Dx formula.
167 G4double density = fMaterial->GetDensity(); << 94 // The parametrization is from R.M. Sternheimer, Phys. Rev.B,3:3681 (1971)
168 <<
169 // Check if density effect data exist in the <<
170 // R.M. Sternheimer, Atomic Data and Nuclear <<
171 // or is assign to one of data set in this t <<
172 G4int idx = fDensityData->GetIndex(fMaterial <<
173 auto nelm = (G4int)fMaterial->GetNumberOfEle <<
174 G4int Z0 = ((*(fMaterial->GetElementVector() <<
175 const G4Material* bmat = fMaterial->GetBaseM <<
176 G4NistManager* nist = G4NistManager::Instanc <<
177 <<
178 // arbitrary empirical limits <<
179 // parameterisation with very different dens <<
180 static const G4double corrmax = 1.; <<
181 static const G4double massfracmax = 0.9; <<
182 <<
183 // for simple non-NIST materials <<
184 G4double corr = 0.0; <<
185 <<
186 if (idx < 0 && 1 == nelm) { <<
187 G4int z = (1 == Z0 && State == kStateLiqui <<
188 idx = fDensityData->GetElementIndex(z); <<
189 <<
190 // Correction for base material or for non <<
191 // Except cases of very different density <<
192 if (idx >= 0 && 0 < z) { <<
193 G4double dens = nist->GetNominalDensity( <<
194 if (dens <= 0.0) { <<
195 idx = -1; <<
196 } <<
197 else { <<
198 corr = G4Log(dens / density); <<
199 if (std::abs(corr) > corrmax) { <<
200 idx = -1; <<
201 } <<
202 } <<
203 } <<
204 } <<
205 // for base material case <<
206 if (idx < 0 && nullptr != bmat) { <<
207 idx = fDensityData->GetIndex(bmat->GetName <<
208 if (idx >= 0) { <<
209 corr = G4Log(bmat->GetDensity() / densit <<
210 if (std::abs(corr) > corrmax) { <<
211 idx = -1; <<
212 } <<
213 } <<
214 } <<
215 95
216 // for compound non-NIST materials with one << 96 const G4double Cd2 = 4*pi*hbarc_squared*classic_electr_radius;
217 if (idx < 0 && 1 < nelm) { << 97 const G4double twoln10 = 2.*log(10.);
218 const G4double tot = fMaterial->GetTotNbOf <<
219 for (G4int i = 0; i < nelm; ++i) { <<
220 const G4double frac = fMaterial->GetVecN <<
221 if (frac > massfracmax) { <<
222 Z0 = ((*(fMaterial->GetElementVector() <<
223 idx = fDensityData->GetElementIndex(Z0 <<
224 G4double dens = nist->GetNominalDensit <<
225 if (idx >= 0 && dens > 0.0) { <<
226 corr = G4Log(dens / density); <<
227 if (std::abs(corr) > corrmax) { <<
228 idx = -1; <<
229 } <<
230 else { <<
231 break; <<
232 } <<
233 } <<
234 } <<
235 } <<
236 } <<
237 98
238 if (idx >= 0) { << 99 G4int icase;
239 // Take parameters for the density effect << 100
240 // R.M. Sternheimer et al. Density Effect << 101 fCdensity = 1. + log(fMeanExcitationEnergy*fMeanExcitationEnergy
241 // of Charged Particles in Various Substan << 102 /(Cd2*fMaterial->GetTotNbOfElectPerVolume()));
242 // Atom. Data Nucl. Data Tabl. 30 (1984) 2 <<
243 <<
244 fCdensity = fDensityData->GetCdensity(idx) <<
245 fMdensity = fDensityData->GetMdensity(idx) <<
246 fAdensity = fDensityData->GetAdensity(idx) <<
247 fX0density = fDensityData->GetX0density(id <<
248 fX1density = fDensityData->GetX1density(id <<
249 fD0density = fDensityData->GetDelta0densit <<
250 fPlasmaEnergy = fDensityData->GetPlasmaEne <<
251 fAdjustmentFactor = fDensityData->GetAdjus <<
252 <<
253 // parameter C is computed and not taken f <<
254 // fCdensity = 1. + 2*G4Log(fMeanExcitatio <<
255 // G4cout << "IonisParamMat: " << fMateria <<
256 // << " Cst= " << Cdensity << " C= " <<
257 <<
258 // correction on nominal density <<
259 fCdensity += corr; <<
260 fX0density += corr / twoln10; <<
261 fX1density += corr / twoln10; <<
262 } <<
263 else { <<
264 static const G4double Cd2 = 4 * CLHEP::pi <<
265 fPlasmaEnergy = std::sqrt(Cd2 * fMaterial- <<
266 <<
267 // Compute parameters for the density effe <<
268 // The parametrization is from R.M. Sternh <<
269 G4int icase; <<
270 <<
271 fCdensity = 1. + 2 * G4Log(fMeanExcitation <<
272 // <<
273 // condensed materials <<
274 // <<
275 if ((State == kStateSolid) || (State == kS <<
276 static const G4double E100eV = 100. * CL <<
277 static const G4double ClimiS[] = {3.681, <<
278 static const G4double X0valS[] = {1.0, 1 <<
279 static const G4double X1valS[] = {2.0, 3 <<
280 103
281 if (fMeanExcitationEnergy < E100eV) { << 104 //
282 icase = 0; << 105 // condensed materials
283 } << 106 //
284 else { << 107 G4State State = fMaterial->GetState();
285 icase = 1; << 108
286 } << 109 if ((State == kStateSolid)||(State == kStateLiquid)) {
287 110
288 if (fCdensity < ClimiS[icase]) { << 111 const G4double E100eV = 100.*eV;
289 fX0density = 0.2; << 112 const G4double ClimiS[] = {3.681 , 5.215 };
290 } << 113 const G4double X0valS[] = {1.0 , 1.5 };
291 else { << 114 const G4double X1valS[] = {2.0 , 3.0 };
292 fX0density = 0.326 * fCdensity - X0val << 115
293 } << 116 if(fMeanExcitationEnergy < E100eV) icase = 0;
>> 117 else icase = 1;
>> 118
>> 119 if(fCdensity < ClimiS[icase]) fX0density = 0.2;
>> 120 else fX0density = 0.326*fCdensity-X0valS[icase];
>> 121
>> 122 fX1density = X1valS[icase] ; fMdensity = 3.0;
>> 123
>> 124 //special: Hydrogen
>> 125 if ((fMaterial->GetNumberOfElements()==1)&&(fMaterial->GetZ()==1.)) {
>> 126 fX0density = 0.425; fX1density = 2.0; fMdensity = 5.949;
>> 127 }
>> 128 }
>> 129
>> 130 //
>> 131 // gases
>> 132 //
>> 133 if (State == kStateGas) {
>> 134
>> 135 const G4double ClimiG[] = { 10. , 10.5 , 11. , 11.5 , 12.25 , 13.804};
>> 136 const G4double X0valG[] = { 1.6 , 1.7 , 1.8 , 1.9 , 2.0 , 2.0 };
>> 137 const G4double X1valG[] = { 4.0 , 4.0 , 4.0 , 4.0 , 4.0 , 5.0 };
>> 138
>> 139 icase = 5;
>> 140 fX0density = 0.326*fCdensity-2.5 ; fX1density = 5.0 ; fMdensity = 3. ;
>> 141 while((icase > 0)&&(fCdensity < ClimiG[icase])) icase-- ;
>> 142 fX0density = X0valG[icase] ; fX1density = X1valG[icase] ;
>> 143
>> 144 //special: Hydrogen
>> 145 if ((fMaterial->GetNumberOfElements()==1)&&(fMaterial->GetZ()==1.)) {
>> 146 fX0density = 1.837; fX1density = 3.0; fMdensity = 4.754;
>> 147 }
>> 148
>> 149 //special: Helium
>> 150 if ((fMaterial->GetNumberOfElements()==1)&&(fMaterial->GetZ()==2.)) {
>> 151 fX0density = 2.191; fX1density = 3.0; fMdensity = 3.297;
>> 152 }
>> 153
>> 154 // change parameters if the gas is not in STP.
>> 155 // For the correction the density(STP) is needed. Density(STP) is calculated here :
>> 156
>> 157 G4double Density = fMaterial->GetDensity();
>> 158 G4double Pressure = fMaterial->GetPressure();
>> 159 G4double Temp = fMaterial->GetTemperature();
>> 160
>> 161 G4double DensitySTP = Density*STP_Pressure*Temp/(Pressure*STP_Temperature);
>> 162
>> 163 G4double ParCorr = log(Density/DensitySTP);
>> 164
>> 165 fCdensity -= ParCorr;
>> 166 fX0density -= ParCorr/twoln10;
>> 167 fX1density -= ParCorr/twoln10;
>> 168 }
>> 169
>> 170 G4double Xa = fCdensity/twoln10;
>> 171 fAdensity = twoln10*(Xa-fX0density)
>> 172 /pow((fX1density-fX0density),fMdensity);
>> 173 }
294 174
295 fX1density = X1valS[icase]; << 175 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo.... ....oooOO0OOooo....
296 fMdensity = 3.0; <<
297 176
298 // special: Hydrogen << 177 void G4IonisParamMat::ComputeFluctModel()
299 if (1 == nelm && 1 == Z0) { << 178 {
300 fX0density = 0.425; << 179 // compute parameters for the energy loss fluctuation model
301 fX1density = 2.0; <<
302 fMdensity = 5.949; <<
303 } <<
304 } <<
305 else { <<
306 // <<
307 // gases <<
308 // <<
309 fMdensity = 3.; <<
310 fX1density = 4.0; <<
311 180
312 if (fCdensity <= 10.) { << 181 // need an 'effective Z' ?????
313 fX0density = 1.6; << 182 G4double Zeff = 0.;
314 } << 183 for (size_t i=0;i<fMaterial->GetNumberOfElements();i++)
315 else if (fCdensity <= 10.5) { << 184 Zeff += (fMaterial->GetFractionVector())[i]
316 fX0density = 1.7; << 185 *((*(fMaterial->GetElementVector()))[i]->GetZ());
317 } << 186
318 else if (fCdensity <= 11.0) { << 187 if (Zeff > 2.) fF2fluct = 2./Zeff ;
319 fX0density = 1.8; << 188 else fF2fluct = 0.;
320 } << 189
321 else if (fCdensity <= 11.5) { << 190 fF1fluct = 1. - fF2fluct;
322 fX0density = 1.9; << 191 fEnergy2fluct = 10.*Zeff*Zeff*eV;
323 } << 192 fLogEnergy2fluct = log(fEnergy2fluct);
324 else if (fCdensity <= 12.25) { << 193 fLogEnergy1fluct = (fLogMeanExcEnergy - fF2fluct*fLogEnergy2fluct)
325 fX0density = 2.0; << 194 /fF1fluct;
326 } << 195 fEnergy1fluct = exp(fLogEnergy1fluct);
327 else if (fCdensity <= 13.804) { << 196 fEnergy0fluct = 10.*eV;
328 fX0density = 2.0; << 197 fRateionexcfluct = 0.4;
329 fX1density = 5.0; << 198 }
330 } <<
331 else { <<
332 fX0density = 0.326 * fCdensity - 2.5; <<
333 fX1density = 5.0; <<
334 } <<
335 199
336 // special: Hydrogen << 200 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo.... ....oooOO0OOooo....
337 if (1 == nelm && 1 == Z0) { <<
338 fX0density = 1.837; <<
339 fX1density = 3.0; <<
340 fMdensity = 4.754; <<
341 } <<
342 201
343 // special: Helium << 202 void G4IonisParamMat::SetMeanExcitationEnergy(G4double value)
344 if (1 == nelm && 2 == Z0) { << 203 {
345 fX0density = 2.191; << 204 if(value == fMeanExcitationEnergy || value <= 0.0) return;
346 fX1density = 3.0; <<
347 fMdensity = 3.297; <<
348 } <<
349 } <<
350 } <<
351 205
352 // change parameters if the gas is not in ST << 206 if(fMeanExcitationEnergy > 0.0) {
353 // For the correction the density(STP) is ne <<
354 // Density(STP) is calculated here : <<
355 207
356 if (State == kStateGas) { << 208 G4cout << "G4Material: Mean excitation energy is changed for " << fMaterial->GetName()
357 G4double Pressure = fMaterial->GetPressure << 209 << " Iold= " << fMeanExcitationEnergy/eV
358 G4double Temp = fMaterial->GetTemperature( << 210 << "eV; Inew= " << value/eV << " eV;"
>> 211 << G4endl;
>> 212 }
>> 213
>> 214 fMeanExcitationEnergy = value;
>> 215 fLogMeanExcEnergy = log(value);
>> 216 ComputeDensityEffect();
>> 217 ComputeFluctModel();
>> 218
>> 219 }
359 220
360 G4double DensitySTP = density * STP_Pressu << 221 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo.... ....oooOO0OOooo....
361 222
362 G4double ParCorr = G4Log(density / Density << 223 G4double G4IonisParamMat::FindMeanExcitationEnergy(const G4String& chFormula)
>> 224 {
363 225
364 fCdensity -= ParCorr; << 226 // The data on mean excitation energy for compaunds
365 fX0density -= ParCorr / twoln10; << 227 // from "Stopping Powers for Electrons and Positrons"
366 fX1density -= ParCorr / twoln10; << 228 // ICRU Report N#37, 1984 (energy in eV)
367 } <<
368 229
369 // fAdensity parameter can be fixed for not << 230 const size_t numberOfMolecula = 79 ;
370 if (0.0 == fD0density) { << 231
371 G4double Xa = fCdensity / twoln10; << 232 static G4String name[numberOfMolecula] = {
372 fAdensity = twoln10 * (Xa - fX0density) / << 233
>> 234 // gas
>> 235 "NH_3", "C_4H_10", "CO_2", "C_2H_6", "C_7H_16",
>> 236 "C_6H_14", "CH_4", "NO", "N_2O", "C_8H_18",
>> 237 "C_5H_12", "C_3H_8", "H_2O-Gas",
>> 238
>> 239 // liquid
>> 240 "C_3H_6O", "C_6H_5NH_2", "C_6H_6", "C_4H_9OH", "CCl_4",
>> 241 "C_6H_5Cl", "CHCl_3", "C_6H_12", "C_6H_4Cl_2", "C_4Cl_2H_8O",
>> 242 "C_2Cl_2H_4", "(C_2H_5)_2O", "C_2H_5OH", "C_3H_5(OH)_3","C_7H_16",
>> 243 "C_6H_14", "CH_3OH", "C_6H_5NO_2","C_5H_12", "C_3H_7OH",
>> 244 "C_5H_5N", "C_8H_8", "C_2Cl_4", "C_7H_8", "C_2Cl_3H",
>> 245 "H_2O", "C_8H_10"
>> 246
>> 247 //solid
>> 248 "C_5H_5N_5", "C_5H_5N_5O", "(C_6H_11NO)-nylon", "C_25H_52",
>> 249 "(C_2H_4)-Polyethylene", "(C_5H_8O-2)-Polymethil_Methacrylate",
>> 250 "(C_8H_8)-Polystyrene", "A-150-tissue", "Al_2O_3", "CaF_2",
>> 251 "LiF", "Photo_Emulsion", "(C_2F_4)-Teflon", "SiO_2"
>> 252
>> 253 } ;
>> 254
>> 255 static G4double meanExcitation[numberOfMolecula] = {
>> 256
>> 257 53.7, 48.3, 85.0, 45.4, 49.2,
>> 258 49.1, 41.7, 87.8, 84.9, 49.5,
>> 259 48.2, 47.1, 71.6,
>> 260
>> 261 64.2, 66.2, 63.4, 59.9, 166.3,
>> 262 89.1, 156.0, 56.4, 106.5, 103.3,
>> 263 111.9, 60.0, 62.9, 72.6, 54.4,
>> 264 54.0, 67.6, 75.8, 53.6, 61.1,
>> 265 66.2, 64.0, 159.2, 62.5, 148.1,
>> 266 75.0, 61.8,
>> 267
>> 268 71.4, 75.0, 63.9, 48.3, 57.4,
>> 269 74.0, 68.7, 65.1, 145.2, 166.,
>> 270 94.0, 331.0, 99.1, 139.2
>> 271
>> 272 } ;
>> 273
>> 274 G4double x = fMeanExcitationEnergy;
>> 275
>> 276 for(size_t i=0; i<numberOfMolecula; i++) {
>> 277 if(chFormula == name[i]) {
>> 278 x = meanExcitation[i]*eV;
>> 279 break;
>> 280 }
373 } 281 }
>> 282 return x;
374 } 283 }
375 284
376 //....oooOO0OOooo........oooOO0OOooo........oo 285 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo.... ....oooOO0OOooo....
377 286
378 void G4IonisParamMat::ComputeFluctModel() << 287 G4IonisParamMat::~G4IonisParamMat()
379 { 288 {
380 // compute parameters for the energy loss fl << 289 if (fShellCorrectionVector) delete [] fShellCorrectionVector;
381 // needs an 'effective Z' <<
382 G4double Zeff = 0.; <<
383 for (std::size_t i = 0; i < fMaterial->GetNu <<
384 Zeff += (fMaterial->GetFractionVector())[i <<
385 } <<
386 if (Zeff > 2.1) { <<
387 fF2fluct = 2.0 / Zeff; <<
388 fF1fluct = 1. - fF2fluct; <<
389 fEnergy2fluct = 10. * Zeff * Zeff * CLHEP: <<
390 fLogEnergy2fluct = G4Log(fEnergy2fluct); <<
391 fLogEnergy1fluct = (fLogMeanExcEnergy - fF <<
392 } else if (Zeff > 1.1) { <<
393 fF2fluct = 0.0; <<
394 fF1fluct = 1.0; <<
395 fEnergy2fluct = 40. * CLHEP::eV; <<
396 fLogEnergy2fluct = G4Log(fEnergy2fluct); <<
397 fLogEnergy1fluct = fLogMeanExcEnergy; <<
398 } else { <<
399 fF2fluct = 0.0; <<
400 fF1fluct = 1.0; <<
401 fEnergy2fluct = 10. * CLHEP::eV; <<
402 fLogEnergy2fluct = G4Log(fEnergy2fluct); <<
403 fLogEnergy1fluct = fLogMeanExcEnergy; <<
404 } <<
405 fEnergy1fluct = G4Exp(fLogEnergy1fluct); <<
406 fEnergy0fluct = 10. * CLHEP::eV; <<
407 fRateionexcfluct = 0.4; <<
408 } 290 }
409 291
410 //....oooOO0OOooo........oooOO0OOooo........oo 292 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo.... ....oooOO0OOooo....
411 293
412 void G4IonisParamMat::ComputeIonParameters() << 294 G4IonisParamMat::G4IonisParamMat(const G4IonisParamMat& right)
413 { 295 {
414 // get elements in the actual material, << 296 *this = right;
415 const G4ElementVector* theElementVector = fM <<
416 const G4double* theAtomicNumDensityVector = <<
417 const auto NumberOfElements = (G4int)fMateri <<
418 <<
419 // loop for the elements in the material <<
420 // to find out average values Z, vF, lF <<
421 G4double z(0.0), vF(0.0), lF(0.0), a23(0.0); <<
422 <<
423 G4Pow* g4pow = G4Pow::GetInstance(); <<
424 if (1 == NumberOfElements) { <<
425 const G4Element* element = (*theElementVec <<
426 z = element->GetZ(); <<
427 vF = element->GetIonisation()->GetFermiVel <<
428 lF = element->GetIonisation()->GetLFactor( <<
429 a23 = 1.0 / g4pow->A23(element->GetN()); <<
430 } <<
431 else { <<
432 G4double norm(0.0); <<
433 for (G4int iel = 0; iel < NumberOfElements <<
434 const G4Element* element = (*theElementV <<
435 const G4double weight = theAtomicNumDens <<
436 norm += weight; <<
437 z += element->GetZ() * weight; <<
438 vF += element->GetIonisation()->GetFermi <<
439 lF += element->GetIonisation()->GetLFact <<
440 a23 += weight / g4pow->A23(element->GetN <<
441 } <<
442 if (norm > 0.0) { norm = 1.0/norm; } <<
443 z *= norm; <<
444 vF *= norm; <<
445 lF *= norm; <<
446 a23 *= norm; <<
447 } <<
448 fZeff = z; <<
449 fLfactor = lF; <<
450 fFermiEnergy = 25. * CLHEP::keV * vF * vF; <<
451 fInvA23 = a23; <<
452 } 297 }
453 298
454 //....oooOO0OOooo........oooOO0OOooo........oo 299 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo.... ....oooOO0OOooo....
455 300
456 void G4IonisParamMat::SetMeanExcitationEnergy( << 301 const G4IonisParamMat& G4IonisParamMat::operator=(const G4IonisParamMat& right)
457 { 302 {
458 if (value == fMeanExcitationEnergy || value << 303 if (this != &right)
459 return; << 304 {
460 } << 305 fMaterial = right.fMaterial;
461 if (G4NistManager::Instance()->GetVerbose() << 306 fMeanExcitationEnergy = right.fMeanExcitationEnergy;
462 G4cout << "G4Material: Mean excitation ene << 307 fLogMeanExcEnergy = right.fLogMeanExcEnergy;
463 << " Iold= " << fMeanExcitationEner << 308 if (fShellCorrectionVector) delete [] fShellCorrectionVector;
464 << G4endl; << 309 fShellCorrectionVector = new G4double[3];
465 } << 310 fShellCorrectionVector[0] = right.fShellCorrectionVector[0];
466 << 311 fShellCorrectionVector[1] = right.fShellCorrectionVector[1];
467 fMeanExcitationEnergy = value; << 312 fShellCorrectionVector[2] = right.fShellCorrectionVector[2];
468 << 313 fTaul = right.fTaul;
469 // add corrections to density effect << 314 fCdensity = right.fCdensity;
470 G4double newlog = G4Log(value); << 315 fMdensity = right.fMdensity;
471 G4double corr = 2 * (newlog - fLogMeanExcEne << 316 fAdensity = right.fAdensity;
472 fCdensity += corr; << 317 fX0density = right.fX0density;
473 fX0density += corr / twoln10; << 318 fX1density = right.fX1density;
474 fX1density += corr / twoln10; << 319 fF1fluct = right.fF1fluct;
475 << 320 fF2fluct = right.fF2fluct;
476 // recompute parameters of fluctuation model << 321 fEnergy1fluct = right.fEnergy1fluct;
477 fLogMeanExcEnergy = newlog; << 322 fLogEnergy1fluct = right.fLogEnergy1fluct;
478 ComputeFluctModel(); << 323 fEnergy2fluct = right.fEnergy2fluct;
>> 324 fLogEnergy2fluct = right.fLogEnergy2fluct;
>> 325 fEnergy0fluct = right.fEnergy0fluct;
>> 326 fRateionexcfluct = right.fRateionexcfluct;
>> 327 }
>> 328 return *this;
479 } 329 }
480 330
481 //....oooOO0OOooo........oooOO0OOooo........oo 331 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo.... ....oooOO0OOooo....
482 332
483 void G4IonisParamMat::SetDensityEffectParamete << 333 G4int G4IonisParamMat::operator==(const G4IonisParamMat& right) const
484 G4double cd, G4double md, G4double ad, G4dou <<
485 { 334 {
486 // no check on consistence of user parameter << 335 return (this == (G4IonisParamMat*) &right);
487 G4AutoLock l(&ionisMutex); <<
488 fCdensity = cd; <<
489 fMdensity = md; <<
490 fAdensity = ad; <<
491 fX0density = x0; <<
492 fX1density = x1; <<
493 fD0density = d0; <<
494 l.unlock(); <<
495 } 336 }
496 337
497 //....oooOO0OOooo........oooOO0OOooo........oo 338 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo.... ....oooOO0OOooo....
498 339
499 void G4IonisParamMat::SetDensityEffectParamete << 340 G4int G4IonisParamMat::operator!=(const G4IonisParamMat& right) const
500 { << 341 {
501 G4AutoLock l(&ionisMutex); << 342 return (this != (G4IonisParamMat*) &right);
502 const G4IonisParamMat* ipm = bmat->GetIonisa <<
503 fCdensity = ipm->GetCdensity(); <<
504 fMdensity = ipm->GetMdensity(); <<
505 fAdensity = ipm->GetAdensity(); <<
506 fX0density = ipm->GetX0density(); <<
507 fX1density = ipm->GetX1density(); <<
508 fD0density = ipm->GetD0density(); <<
509 <<
510 G4double corr = G4Log(bmat->GetDensity() / f <<
511 fCdensity += corr; <<
512 fX0density += corr / twoln10; <<
513 fX1density += corr / twoln10; <<
514 l.unlock(); <<
515 } <<
516 <<
517 //....oooOO0OOooo........oooOO0OOooo........oo <<
518 <<
519 void G4IonisParamMat::ComputeDensityEffectOnFl <<
520 { <<
521 if (val) { <<
522 if (nullptr == fDensityEffectCalc) { <<
523 G4int n = 0; <<
524 for (std::size_t i = 0; i < fMaterial->G <<
525 const G4int Z = fMaterial->GetElement( <<
526 n += G4AtomicShells::GetNumberOfShells <<
527 } <<
528 // The last level is the conduction leve <<
529 // make a dummy conductor level with zer <<
530 fDensityEffectCalc = new G4DensityEffect <<
531 } <<
532 } <<
533 else { <<
534 delete fDensityEffectCalc; <<
535 fDensityEffectCalc = nullptr; <<
536 } <<
537 } 343 }
538 344
539 //....oooOO0OOooo........oooOO0OOooo........oo 345 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo.... ....oooOO0OOooo....
540 346
541 G4double G4IonisParamMat::FindMeanExcitationEn <<
542 { <<
543 G4double res = 0.0; <<
544 // data from density effect data <<
545 if (fDensityData != nullptr) { <<
546 G4int idx = fDensityData->GetIndex(mat->Ge <<
547 if (idx >= 0) { <<
548 res = fDensityData->GetMeanIonisationPot <<
549 } <<
550 } <<
551 <<
552 // The data on mean excitation energy for co <<
553 // from "Stopping Powers for Electrons and P <<
554 // ICRU Report N#37, 1984 (energy in eV) <<
555 // this value overwrites Density effect data <<
556 G4String chFormula = mat->GetChemicalFormula <<
557 if (! chFormula.empty()) { <<
558 static const size_t numberOfMolecula = 54; <<
559 // clang-format off <<
560 static const G4String name[numberOfMolecul <<
561 // gas 0 - 12 <<
562 "NH_3", "C_4H_10", "CO_2", <<
563 // "G4_AMMONIA", "G4_BUTANE","G4_CARBON_ <<
564 "C_6H_14-Gas", "CH_4", "NO", <<
565 // "G4_N-HEXANE" , "G4_METHANE", "x", "G <<
566 "C_5H_12-Gas", "C_3H_8", "H_2O-Gas", <<
567 // "G4_N-PENTANE", "G4_PROPANE", "G4_WAT <<
568 <<
569 // liquid 13 - 39 <<
570 "C_3H_6O", "C_6H_5NH_2", "C_6H_6", <<
571 //"G4_ACETONE","G4_ANILINE","G4_BENZENE" <<
572 "C_6H_5Cl", "CHCl_3", "C_6H_12", <<
573 //"G4_CHLOROBENZENE","G4_CHLOROFORM","G4 <<
574 //"G4_DICHLORODIETHYL_ETHER" <<
575 "C_2Cl_2H_4", "(C_2H_5)_2O", "C_2H_5OH", <<
576 //"G4_1,2-DICHLOROETHANE","G4_DIETHYL_ET <<
577 "C_6H_14", "CH_3OH", "C_6H_5NO_2 <<
578 //"G4_N-HEXANE","G4_METHANOL","G4_NITROB <<
579 "C_5H_5N", "C_8H_8", "C_2Cl_4", <<
580 //"G4_PYRIDINE","G4_POLYSTYRENE","G4_TET <<
581 "H_2O", "C_8H_10", <<
582 // "G4_WATER", "G4_XYLENE" <<
583 <<
584 // solid 40 - 53 <<
585 "C_5H_5N_5", "C_5H_5N_5O", "(C_6H_11NO <<
586 // "G4_ADENINE", "G4_GUANINE", "G4_NYLON <<
587 "(C_2H_4)-Polyethylene", "(C_5H_8O_2 <<
588 // "G4_ETHYLENE", "G4_PLEXIGLASS" <<
589 "(C_8H_8)-Polystyrene", "A-150-tiss <<
590 // "G4_POLYSTYRENE", "G4_A-150_TISSUE", <<
591 "LiF", "Photo_Emulsion", "(C_2F_ <<
592 // "G4_LITHIUM_FLUORIDE", "G4_PHOTO_EMUL <<
593 } ; <<
594 <<
595 static const G4double meanExcitation[numbe <<
596 <<
597 53.7, 48.3, 85.0, 45.4, 49.2, <<
598 49.1, 41.7, 87.8, 84.9, 49.5, <<
599 48.2, 47.1, 71.6, <<
600 <<
601 64.2, 66.2, 63.4, 59.9, 166.3, <<
602 89.1, 156.0, 56.4, 106.5, 103.3, <<
603 111.9, 60.0, 62.9, 72.6, 54.4, <<
604 54.0, 67.6, 75.8, 53.6, 61.1, <<
605 66.2, 64.0, 159.2, 62.5, 148.1, <<
606 75.0, 61.8, <<
607 <<
608 71.4, 75.0, 63.9, 48.3, 57.4, <<
609 74.0, 68.7, 65.1, 145.2, 166., <<
610 94.0, 331.0, 99.1, 139.2 <<
611 }; <<
612 // clang-format on <<
613 <<
614 for (std::size_t i = 0; i < numberOfMolecu <<
615 if (chFormula == name[i]) { <<
616 res = meanExcitation[i] * CLHEP::eV; <<
617 break; <<
618 } <<
619 } <<
620 } <<
621 return res; <<
622 } <<
623 347