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>> 25 //
>> 26 //
>> 27 // $Id: G4IonisParamMat.cc,v 1.25 2008/07/08 10:34:56 vnivanch Exp $
>> 28 // GEANT4 tag $Name: geant4-09-02-patch-04 $
>> 29 //
>> 30 //
>> 31 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo.... ....oooOO0OOooo....
25 32
26 // 09-07-98, data moved from G4Material, M.Mai 33 // 09-07-98, data moved from G4Material, M.Maire
27 // 18-07-98, bug corrected in ComputeDensityEf 34 // 18-07-98, bug corrected in ComputeDensityEffect() for gas
28 // 16-01-01, bug corrected in ComputeDensityEf 35 // 16-01-01, bug corrected in ComputeDensityEffect() E100eV (L.Urban)
29 // 08-02-01, fShellCorrectionVector correctly 36 // 08-02-01, fShellCorrectionVector correctly handled (mma)
30 // 28-10-02, add setMeanExcitationEnergy (V.Iv 37 // 28-10-02, add setMeanExcitationEnergy (V.Ivanchenko)
31 // 06-09-04, factor 2 to shell correction term << 38 // 06-09-04, factor 2 to shell correction term (V.Ivanchenko)
32 // 10-05-05, add a missing coma in FindMeanExc 39 // 10-05-05, add a missing coma in FindMeanExcitationEnergy() - Bug#746 (mma)
33 // 27-09-07, add computation of parameters for 40 // 27-09-07, add computation of parameters for ions (V.Ivanchenko)
34 // 04-03-08, remove reference to G4NistManager 41 // 04-03-08, remove reference to G4NistManager. Add fBirks constant (mma)
35 // 30-10-09, add G4DensityEffectData class and <<
36 42
37 #include "G4IonisParamMat.hh" << 43 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo.... ....oooOO0OOooo....
38 44
39 #include "G4AtomicShells.hh" << 45 #include "G4IonisParamMat.hh"
40 #include "G4AutoLock.hh" <<
41 #include "G4DensityEffectData.hh" <<
42 #include "G4Exp.hh" <<
43 #include "G4Log.hh" <<
44 #include "G4Material.hh" 46 #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 47
57 //....oooOO0OOooo........oooOO0OOooo........oo 48 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo.... ....oooOO0OOooo....
58 49
59 G4IonisParamMat::G4IonisParamMat(const G4Mater << 50 G4IonisParamMat::G4IonisParamMat(G4Material* material)
>> 51 : fMaterial(material)
60 { 52 {
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(); 53 ComputeMeanParameters();
76 ComputeDensityEffectParameters(); << 54 ComputeDensityEffect();
77 ComputeFluctModel(); 55 ComputeFluctModel();
78 ComputeIonParameters(); 56 ComputeIonParameters();
>> 57
>> 58 fBirks = 0.;
>> 59 fMeanEnergyPerIon = 0.;
79 } 60 }
80 61
81 //....oooOO0OOooo........oooOO0OOooo........oo 62 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo.... ....oooOO0OOooo....
82 63
83 G4IonisParamMat::~G4IonisParamMat() << 64 // Fake default constructor - sets only member data and allocates memory
84 { << 65 // for usage restricted to object persistency
85 delete fDensityEffectCalc; <<
86 delete[] fShellCorrectionVector; <<
87 delete fDensityData; <<
88 fDensityData = nullptr; <<
89 fShellCorrectionVector = nullptr; <<
90 fDensityEffectCalc = nullptr; <<
91 } <<
92 66
93 //....oooOO0OOooo........oooOO0OOooo........oo << 67 G4IonisParamMat::G4IonisParamMat(__void__&)
94 << 68 : fMaterial(0), fShellCorrectionVector(0)
95 G4double G4IonisParamMat::GetDensityCorrection <<
96 { 69 {
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 } 70 }
112 71
113 //....oooOO0OOooo........oooOO0OOooo........oo 72 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo.... ....oooOO0OOooo....
114 73
115 void G4IonisParamMat::ComputeMeanParameters() 74 void G4IonisParamMat::ComputeMeanParameters()
116 { 75 {
117 // compute mean excitation energy and shell 76 // compute mean excitation energy and shell correction vector
>> 77
118 fTaul = (*(fMaterial->GetElementVector()))[0 78 fTaul = (*(fMaterial->GetElementVector()))[0]->GetIonisation()->GetTaul();
119 79
120 std::size_t nElements = fMaterial->GetNumber << 80 fMeanExcitationEnergy = 0.;
>> 81 fLogMeanExcEnergy = 0.;
>> 82
>> 83 size_t nElements = fMaterial->GetNumberOfElements();
121 const G4ElementVector* elmVector = fMaterial 84 const G4ElementVector* elmVector = fMaterial->GetElementVector();
122 const G4double* nAtomsPerVolume = fMaterial- 85 const G4double* nAtomsPerVolume = fMaterial->GetVecNbOfAtomsPerVolume();
123 86
124 fMeanExcitationEnergy = FindMeanExcitationEn << 87 const G4String ch = fMaterial->GetChemicalFormula();
125 fLogMeanExcEnergy = 0.; << 88
>> 89 if(ch != "") fMeanExcitationEnergy = FindMeanExcitationEnergy(ch);
126 90
127 // Chemical formula defines mean excitation 91 // Chemical formula defines mean excitation energy
128 if (fMeanExcitationEnergy > 0.0) { << 92 if(fMeanExcitationEnergy > 0.0) {
129 fLogMeanExcEnergy = G4Log(fMeanExcitationE << 93 fLogMeanExcEnergy = std::log(fMeanExcitationEnergy);
130 94
131 // Compute average << 95 // Compute average
132 } << 96 } else {
133 else { << 97 for (size_t i=0; i < nElements; i++) {
134 for (std::size_t i = 0; i < nElements; ++i <<
135 const G4Element* elm = (*elmVector)[i]; 98 const G4Element* elm = (*elmVector)[i];
136 fLogMeanExcEnergy += << 99 fLogMeanExcEnergy += nAtomsPerVolume[i]*elm->GetZ()
137 nAtomsPerVolume[i] * elm->GetZ() * G4L << 100 *std::log(elm->GetIonisation()->GetMeanExcitationEnergy());
138 } 101 }
139 fLogMeanExcEnergy /= fMaterial->GetTotNbOf 102 fLogMeanExcEnergy /= fMaterial->GetTotNbOfElectPerVolume();
140 fMeanExcitationEnergy = G4Exp(fLogMeanExcE << 103 fMeanExcitationEnergy = std::exp(fLogMeanExcEnergy);
141 } 104 }
142 105
143 fShellCorrectionVector = new G4double[3]; << 106 fShellCorrectionVector = new G4double[3]; //[3]
144 107
145 for (G4int j = 0; j <= 2; ++j) { << 108 for (G4int j=0; j<=2; j++)
>> 109 {
146 fShellCorrectionVector[j] = 0.; 110 fShellCorrectionVector[j] = 0.;
147 111
148 for (std::size_t k = 0; k < nElements; ++k << 112 for (size_t k=0; k<nElements; k++) {
149 fShellCorrectionVector[j] += << 113 fShellCorrectionVector[j] += nAtomsPerVolume[k]
150 nAtomsPerVolume[k] * (((*elmVector)[k] << 114 *(((*elmVector)[k])->GetIonisation()->GetShellCorrectionVector())[j];
151 } 115 }
152 fShellCorrectionVector[j] *= 2.0 / fMateri << 116 fShellCorrectionVector[j] *= 2.0/fMaterial->GetTotNbOfElectPerVolume();
153 } << 117 }
154 } 118 }
155 119
156 //....oooOO0OOooo........oooOO0OOooo........oo 120 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo.... ....oooOO0OOooo....
157 << 121
158 G4DensityEffectData* G4IonisParamMat::GetDensi << 122 void G4IonisParamMat::ComputeDensityEffect()
159 return fDensityData; <<
160 } <<
161 <<
162 //....oooOO0OOooo........oooOO0OOooo........oo <<
163 <<
164 void G4IonisParamMat::ComputeDensityEffectPara <<
165 { 123 {
166 G4State State = fMaterial->GetState(); << 124 // Compute parameters for the density effect correction in DE/Dx formula.
167 G4double density = fMaterial->GetDensity(); << 125 // 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 <<
216 // for compound non-NIST materials with one <<
217 if (idx < 0 && 1 < nelm) { <<
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 <<
238 if (idx >= 0) { <<
239 // Take parameters for the density effect <<
240 // R.M. Sternheimer et al. Density Effect <<
241 // of Charged Particles in Various Substan <<
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 <<
281 if (fMeanExcitationEnergy < E100eV) { <<
282 icase = 0; <<
283 } <<
284 else { <<
285 icase = 1; <<
286 } <<
287 <<
288 if (fCdensity < ClimiS[icase]) { <<
289 fX0density = 0.2; <<
290 } <<
291 else { <<
292 fX0density = 0.326 * fCdensity - X0val <<
293 } <<
294 <<
295 fX1density = X1valS[icase]; <<
296 fMdensity = 3.0; <<
297 <<
298 // special: Hydrogen <<
299 if (1 == nelm && 1 == Z0) { <<
300 fX0density = 0.425; <<
301 fX1density = 2.0; <<
302 fMdensity = 5.949; <<
303 } <<
304 } <<
305 else { <<
306 // <<
307 // gases <<
308 // <<
309 fMdensity = 3.; <<
310 fX1density = 4.0; <<
311 <<
312 if (fCdensity <= 10.) { <<
313 fX0density = 1.6; <<
314 } <<
315 else if (fCdensity <= 10.5) { <<
316 fX0density = 1.7; <<
317 } <<
318 else if (fCdensity <= 11.0) { <<
319 fX0density = 1.8; <<
320 } <<
321 else if (fCdensity <= 11.5) { <<
322 fX0density = 1.9; <<
323 } <<
324 else if (fCdensity <= 12.25) { <<
325 fX0density = 2.0; <<
326 } <<
327 else if (fCdensity <= 13.804) { <<
328 fX0density = 2.0; <<
329 fX1density = 5.0; <<
330 } <<
331 else { <<
332 fX0density = 0.326 * fCdensity - 2.5; <<
333 fX1density = 5.0; <<
334 } <<
335 <<
336 // special: Hydrogen <<
337 if (1 == nelm && 1 == Z0) { <<
338 fX0density = 1.837; <<
339 fX1density = 3.0; <<
340 fMdensity = 4.754; <<
341 } <<
342 <<
343 // special: Helium <<
344 if (1 == nelm && 2 == Z0) { <<
345 fX0density = 2.191; <<
346 fX1density = 3.0; <<
347 fMdensity = 3.297; <<
348 } <<
349 } <<
350 } <<
351 126
352 // change parameters if the gas is not in ST << 127 const G4double Cd2 = 4*pi*hbarc_squared*classic_electr_radius;
353 // For the correction the density(STP) is ne << 128 const G4double twoln10 = 2.*std::log(10.);
354 // Density(STP) is calculated here : <<
355 129
356 if (State == kStateGas) { << 130 G4int icase;
357 G4double Pressure = fMaterial->GetPressure << 131
358 G4double Temp = fMaterial->GetTemperature( << 132 fCdensity = 1. + std::log(fMeanExcitationEnergy*fMeanExcitationEnergy
>> 133 /(Cd2*fMaterial->GetTotNbOfElectPerVolume()));
359 134
360 G4double DensitySTP = density * STP_Pressu << 135 //
361 << 136 // condensed materials
362 G4double ParCorr = G4Log(density / Density << 137 //
363 << 138 G4State State = fMaterial->GetState();
364 fCdensity -= ParCorr; << 139
365 fX0density -= ParCorr / twoln10; << 140 if ((State == kStateSolid)||(State == kStateLiquid)) {
366 fX1density -= ParCorr / twoln10; <<
367 } <<
368 141
369 // fAdensity parameter can be fixed for not << 142 const G4double E100eV = 100.*eV;
370 if (0.0 == fD0density) { << 143 const G4double ClimiS[] = {3.681 , 5.215 };
371 G4double Xa = fCdensity / twoln10; << 144 const G4double X0valS[] = {1.0 , 1.5 };
372 fAdensity = twoln10 * (Xa - fX0density) / << 145 const G4double X1valS[] = {2.0 , 3.0 };
373 } << 146
>> 147 if(fMeanExcitationEnergy < E100eV) icase = 0;
>> 148 else icase = 1;
>> 149
>> 150 if(fCdensity < ClimiS[icase]) fX0density = 0.2;
>> 151 else fX0density = 0.326*fCdensity-X0valS[icase];
>> 152
>> 153 fX1density = X1valS[icase] ; fMdensity = 3.0;
>> 154
>> 155 //special: Hydrogen
>> 156 if ((fMaterial->GetNumberOfElements()==1)&&(fMaterial->GetZ()==1.)) {
>> 157 fX0density = 0.425; fX1density = 2.0; fMdensity = 5.949;
>> 158 }
>> 159 }
>> 160
>> 161 //
>> 162 // gases
>> 163 //
>> 164 if (State == kStateGas) {
>> 165
>> 166 const G4double ClimiG[] = { 10. , 10.5 , 11. , 11.5 , 12.25 , 13.804};
>> 167 const G4double X0valG[] = { 1.6 , 1.7 , 1.8 , 1.9 , 2.0 , 2.0 };
>> 168 const G4double X1valG[] = { 4.0 , 4.0 , 4.0 , 4.0 , 4.0 , 5.0 };
>> 169
>> 170 icase = 5;
>> 171 fX0density = 0.326*fCdensity-2.5 ; fX1density = 5.0 ; fMdensity = 3. ;
>> 172 while((icase > 0)&&(fCdensity < ClimiG[icase])) icase-- ;
>> 173 fX0density = X0valG[icase] ; fX1density = X1valG[icase] ;
>> 174
>> 175 //special: Hydrogen
>> 176 if ((fMaterial->GetNumberOfElements()==1)&&(fMaterial->GetZ()==1.)) {
>> 177 fX0density = 1.837; fX1density = 3.0; fMdensity = 4.754;
>> 178 }
>> 179
>> 180 //special: Helium
>> 181 if ((fMaterial->GetNumberOfElements()==1)&&(fMaterial->GetZ()==2.)) {
>> 182 fX0density = 2.191; fX1density = 3.0; fMdensity = 3.297;
>> 183 }
>> 184
>> 185 // change parameters if the gas is not in STP.
>> 186 // For the correction the density(STP) is needed.
>> 187 // Density(STP) is calculated here :
>> 188
>> 189 G4double Density = fMaterial->GetDensity();
>> 190 G4double Pressure = fMaterial->GetPressure();
>> 191 G4double Temp = fMaterial->GetTemperature();
>> 192
>> 193 G4double DensitySTP = Density*STP_Pressure*Temp/(Pressure*STP_Temperature);
>> 194
>> 195 G4double ParCorr = std::log(Density/DensitySTP);
>> 196
>> 197 fCdensity -= ParCorr;
>> 198 fX0density -= ParCorr/twoln10;
>> 199 fX1density -= ParCorr/twoln10;
>> 200 }
>> 201
>> 202 G4double Xa = fCdensity/twoln10;
>> 203 fAdensity = twoln10*(Xa-fX0density)
>> 204 /std::pow((fX1density-fX0density),fMdensity);
374 } 205 }
375 206
376 //....oooOO0OOooo........oooOO0OOooo........oo 207 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo.... ....oooOO0OOooo....
377 208
378 void G4IonisParamMat::ComputeFluctModel() 209 void G4IonisParamMat::ComputeFluctModel()
379 { 210 {
380 // compute parameters for the energy loss fl 211 // compute parameters for the energy loss fluctuation model
381 // needs an 'effective Z' << 212
>> 213 // need an 'effective Z' ?????
382 G4double Zeff = 0.; 214 G4double Zeff = 0.;
383 for (std::size_t i = 0; i < fMaterial->GetNu << 215 for (size_t i=0;i<fMaterial->GetNumberOfElements();i++) {
384 Zeff += (fMaterial->GetFractionVector())[i << 216 Zeff += (fMaterial->GetFractionVector())[i]
385 } << 217 *((*(fMaterial->GetElementVector()))[i]->GetZ());
386 if (Zeff > 2.1) { << 218 }
387 fF2fluct = 2.0 / Zeff; << 219 if (Zeff > 2.) fF2fluct = 2./Zeff ;
388 fF1fluct = 1. - fF2fluct; << 220 else fF2fluct = 0.;
389 fEnergy2fluct = 10. * Zeff * Zeff * CLHEP: << 221
390 fLogEnergy2fluct = G4Log(fEnergy2fluct); << 222 fF1fluct = 1. - fF2fluct;
391 fLogEnergy1fluct = (fLogMeanExcEnergy - fF << 223 fEnergy2fluct = 10.*Zeff*Zeff*eV;
392 } else if (Zeff > 1.1) { << 224 fLogEnergy2fluct = std::log(fEnergy2fluct);
393 fF2fluct = 0.0; << 225 fLogEnergy1fluct = (fLogMeanExcEnergy - fF2fluct*fLogEnergy2fluct)
394 fF1fluct = 1.0; << 226 /fF1fluct;
395 fEnergy2fluct = 40. * CLHEP::eV; << 227 fEnergy1fluct = std::exp(fLogEnergy1fluct);
396 fLogEnergy2fluct = G4Log(fEnergy2fluct); << 228 fEnergy0fluct = 10.*eV;
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; 229 fRateionexcfluct = 0.4;
408 } 230 }
409 231
410 //....oooOO0OOooo........oooOO0OOooo........oo 232 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo.... ....oooOO0OOooo....
411 233
412 void G4IonisParamMat::ComputeIonParameters() 234 void G4IonisParamMat::ComputeIonParameters()
413 { 235 {
414 // get elements in the actual material, 236 // get elements in the actual material,
415 const G4ElementVector* theElementVector = fM << 237 const G4ElementVector* theElementVector = fMaterial->GetElementVector() ;
416 const G4double* theAtomicNumDensityVector = << 238 const G4double* theAtomicNumDensityVector =
417 const auto NumberOfElements = (G4int)fMateri << 239 fMaterial->GetAtomicNumDensityVector() ;
>> 240 const G4int NumberOfElements = fMaterial->GetNumberOfElements() ;
418 241
419 // loop for the elements in the material 242 // loop for the elements in the material
420 // to find out average values Z, vF, lF 243 // to find out average values Z, vF, lF
421 G4double z(0.0), vF(0.0), lF(0.0), a23(0.0); << 244 G4double z = 0.0, vF = 0.0, lF = 0.0, norm = 0.0 ;
422 245
423 G4Pow* g4pow = G4Pow::GetInstance(); << 246 if( 1 == NumberOfElements ) {
424 if (1 == NumberOfElements) { <<
425 const G4Element* element = (*theElementVec 247 const G4Element* element = (*theElementVector)[0];
426 z = element->GetZ(); 248 z = element->GetZ();
427 vF = element->GetIonisation()->GetFermiVel << 249 vF= element->GetIonisation()->GetFermiVelocity();
428 lF = element->GetIonisation()->GetLFactor( << 250 lF= element->GetIonisation()->GetLFactor();
429 a23 = 1.0 / g4pow->A23(element->GetN()); << 251
430 } << 252 } else {
431 else { << 253 for (G4int iel=0; iel<NumberOfElements; iel++)
432 G4double norm(0.0); << 254 {
433 for (G4int iel = 0; iel < NumberOfElements << 255 const G4Element* element = (*theElementVector)[iel] ;
434 const G4Element* element = (*theElementV << 256 const G4double weight = theAtomicNumDensityVector[iel] ;
435 const G4double weight = theAtomicNumDens << 257 norm += weight ;
436 norm += weight; << 258 z += element->GetZ() * weight ;
437 z += element->GetZ() * weight; << 259 vF += element->GetIonisation()->GetFermiVelocity() * weight ;
438 vF += element->GetIonisation()->GetFermi << 260 lF += element->GetIonisation()->GetLFactor() * weight ;
439 lF += element->GetIonisation()->GetLFact << 261 }
440 a23 += weight / g4pow->A23(element->GetN << 262 z /= norm ;
441 } << 263 vF /= norm ;
442 if (norm > 0.0) { norm = 1.0/norm; } << 264 lF /= norm ;
443 z *= norm; << 265 }
444 vF *= norm; << 266 fZeff = z;
445 lF *= norm; << 267 fLfactor = lF;
446 a23 *= norm; << 268 fFermiEnergy = 25.*keV*vF*vF;
447 } <<
448 fZeff = z; <<
449 fLfactor = lF; <<
450 fFermiEnergy = 25. * CLHEP::keV * vF * vF; <<
451 fInvA23 = a23; <<
452 } 269 }
453 270
454 //....oooOO0OOooo........oooOO0OOooo........oo 271 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo.... ....oooOO0OOooo....
455 272
456 void G4IonisParamMat::SetMeanExcitationEnergy( 273 void G4IonisParamMat::SetMeanExcitationEnergy(G4double value)
457 { 274 {
458 if (value == fMeanExcitationEnergy || value << 275 if(value == fMeanExcitationEnergy || value <= 0.0) return;
459 return; <<
460 } <<
461 if (G4NistManager::Instance()->GetVerbose() <<
462 G4cout << "G4Material: Mean excitation ene <<
463 << " Iold= " << fMeanExcitationEner <<
464 << G4endl; <<
465 } <<
466 276
>> 277 /*
>> 278 if (G4NistManager::Instance()->GetVerbose() > 0)
>> 279 G4cout << "G4Material: Mean excitation energy is changed for "
>> 280 << fMaterial->GetName()
>> 281 << " Iold= " << fMeanExcitationEnergy/eV
>> 282 << "eV; Inew= " << value/eV << " eV;"
>> 283 << G4endl;
>> 284 */
>> 285
467 fMeanExcitationEnergy = value; 286 fMeanExcitationEnergy = value;
>> 287 fLogMeanExcEnergy = std::log(value);
>> 288 ComputeDensityEffect();
>> 289 ComputeFluctModel();
>> 290 }
468 291
469 // add corrections to density effect << 292 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo.... ....oooOO0OOooo....
470 G4double newlog = G4Log(value); <<
471 G4double corr = 2 * (newlog - fLogMeanExcEne <<
472 fCdensity += corr; <<
473 fX0density += corr / twoln10; <<
474 fX1density += corr / twoln10; <<
475 293
476 // recompute parameters of fluctuation model << 294 G4double G4IonisParamMat::FindMeanExcitationEnergy(const G4String& chFormula)
477 fLogMeanExcEnergy = newlog; << 295 {
478 ComputeFluctModel(); << 296
>> 297 // The data on mean excitation energy for compaunds
>> 298 // from "Stopping Powers for Electrons and Positrons"
>> 299 // ICRU Report N#37, 1984 (energy in eV)
>> 300
>> 301 const size_t numberOfMolecula = 79 ;
>> 302
>> 303 static G4String name[numberOfMolecula] = {
>> 304
>> 305 // gas
>> 306 "NH_3", "C_4H_10", "CO_2", "C_2H_6", "C_7H_16",
>> 307 "C_6H_14", "CH_4", "NO", "N_2O", "C_8H_18",
>> 308 "C_5H_12", "C_3H_8", "H_2O-Gas",
>> 309
>> 310 // liquid
>> 311 "C_3H_6O", "C_6H_5NH_2", "C_6H_6", "C_4H_9OH", "CCl_4",
>> 312 "C_6H_5Cl", "CHCl_3", "C_6H_12", "C_6H_4Cl_2", "C_4Cl_2H_8O",
>> 313 "C_2Cl_2H_4", "(C_2H_5)_2O", "C_2H_5OH", "C_3H_5(OH)_3","C_7H_16",
>> 314 "C_6H_14", "CH_3OH", "C_6H_5NO_2","C_5H_12", "C_3H_7OH",
>> 315 "C_5H_5N", "C_8H_8", "C_2Cl_4", "C_7H_8", "C_2Cl_3H",
>> 316 "H_2O", "C_8H_10",
>> 317
>> 318 //solid
>> 319 "C_5H_5N_5", "C_5H_5N_5O", "(C_6H_11NO)-nylon", "C_25H_52",
>> 320 "(C_2H_4)-Polyethylene", "(C_5H_8O-2)-Polymethil_Methacrylate",
>> 321 "(C_8H_8)-Polystyrene", "A-150-tissue", "Al_2O_3", "CaF_2",
>> 322 "LiF", "Photo_Emulsion", "(C_2F_4)-Teflon", "SiO_2"
>> 323
>> 324 } ;
>> 325
>> 326 static G4double meanExcitation[numberOfMolecula] = {
>> 327
>> 328 53.7, 48.3, 85.0, 45.4, 49.2,
>> 329 49.1, 41.7, 87.8, 84.9, 49.5,
>> 330 48.2, 47.1, 71.6,
>> 331
>> 332 64.2, 66.2, 63.4, 59.9, 166.3,
>> 333 89.1, 156.0, 56.4, 106.5, 103.3,
>> 334 111.9, 60.0, 62.9, 72.6, 54.4,
>> 335 54.0, 67.6, 75.8, 53.6, 61.1,
>> 336 66.2, 64.0, 159.2, 62.5, 148.1,
>> 337 75.0, 61.8,
>> 338
>> 339 71.4, 75.0, 63.9, 48.3, 57.4,
>> 340 74.0, 68.7, 65.1, 145.2, 166.,
>> 341 94.0, 331.0, 99.1, 139.2
>> 342
>> 343 } ;
>> 344
>> 345 G4double x = fMeanExcitationEnergy;
>> 346
>> 347 for(size_t i=0; i<numberOfMolecula; i++) {
>> 348 if(chFormula == name[i]) {
>> 349 x = meanExcitation[i]*eV;
>> 350 break;
>> 351 }
>> 352 }
>> 353 return x;
479 } 354 }
480 355
481 //....oooOO0OOooo........oooOO0OOooo........oo 356 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo.... ....oooOO0OOooo....
482 357
483 void G4IonisParamMat::SetDensityEffectParamete << 358 G4IonisParamMat::~G4IonisParamMat()
484 G4double cd, G4double md, G4double ad, G4dou <<
485 { 359 {
486 // no check on consistence of user parameter << 360 if (fShellCorrectionVector) delete [] fShellCorrectionVector;
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 } 361 }
496 362
497 //....oooOO0OOooo........oooOO0OOooo........oo 363 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo.... ....oooOO0OOooo....
498 364
499 void G4IonisParamMat::SetDensityEffectParamete << 365 G4IonisParamMat::G4IonisParamMat(const G4IonisParamMat& right)
500 { << 366 {
501 G4AutoLock l(&ionisMutex); << 367 *this = 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 } 368 }
538 369
539 //....oooOO0OOooo........oooOO0OOooo........oo 370 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo.... ....oooOO0OOooo....
540 371
541 G4double G4IonisParamMat::FindMeanExcitationEn << 372 const G4IonisParamMat& G4IonisParamMat::operator=(const G4IonisParamMat& right)
542 { 373 {
543 G4double res = 0.0; << 374 if (this != &right)
544 // data from density effect data << 375 {
545 if (fDensityData != nullptr) { << 376 fMaterial = right.fMaterial;
546 G4int idx = fDensityData->GetIndex(mat->Ge << 377 fMeanExcitationEnergy = right.fMeanExcitationEnergy;
547 if (idx >= 0) { << 378 fLogMeanExcEnergy = right.fLogMeanExcEnergy;
548 res = fDensityData->GetMeanIonisationPot << 379 if (fShellCorrectionVector) delete [] fShellCorrectionVector;
549 } << 380 fShellCorrectionVector = new G4double[3];
550 } << 381 fShellCorrectionVector[0] = right.fShellCorrectionVector[0];
>> 382 fShellCorrectionVector[1] = right.fShellCorrectionVector[1];
>> 383 fShellCorrectionVector[2] = right.fShellCorrectionVector[2];
>> 384 fTaul = right.fTaul;
>> 385 fCdensity = right.fCdensity;
>> 386 fMdensity = right.fMdensity;
>> 387 fAdensity = right.fAdensity;
>> 388 fX0density = right.fX0density;
>> 389 fX1density = right.fX1density;
>> 390 fF1fluct = right.fF1fluct;
>> 391 fF2fluct = right.fF2fluct;
>> 392 fEnergy1fluct = right.fEnergy1fluct;
>> 393 fLogEnergy1fluct = right.fLogEnergy1fluct;
>> 394 fEnergy2fluct = right.fEnergy2fluct;
>> 395 fLogEnergy2fluct = right.fLogEnergy2fluct;
>> 396 fEnergy0fluct = right.fEnergy0fluct;
>> 397 fRateionexcfluct = right.fRateionexcfluct;
>> 398 }
>> 399 return *this;
>> 400 }
551 401
552 // The data on mean excitation energy for co << 402 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo.... ....oooOO0OOooo....
553 // from "Stopping Powers for Electrons and P << 403
554 // ICRU Report N#37, 1984 (energy in eV) << 404 G4int G4IonisParamMat::operator==(const G4IonisParamMat& right) const
555 // this value overwrites Density effect data << 405 {
556 G4String chFormula = mat->GetChemicalFormula << 406 return (this == (G4IonisParamMat*) &right);
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 } 407 }
>> 408
>> 409 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo.... ....oooOO0OOooo....
>> 410
>> 411 G4int G4IonisParamMat::operator!=(const G4IonisParamMat& right) const
>> 412 {
>> 413 return (this != (G4IonisParamMat*) &right);
>> 414 }
>> 415
>> 416 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo.... ....oooOO0OOooo....
>> 417
623 418