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>> 25 //
>> 26 // $Id: G4IonisParamMat.cc 83992 2014-09-26 09:26:06Z gcosmo $
>> 27 //
>> 28 //
>> 29 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo.... ....oooOO0OOooo....
25 30
26 // 09-07-98, data moved from G4Material, M.Mai 31 // 09-07-98, data moved from G4Material, M.Maire
27 // 18-07-98, bug corrected in ComputeDensityEf 32 // 18-07-98, bug corrected in ComputeDensityEffect() for gas
28 // 16-01-01, bug corrected in ComputeDensityEf 33 // 16-01-01, bug corrected in ComputeDensityEffect() E100eV (L.Urban)
29 // 08-02-01, fShellCorrectionVector correctly 34 // 08-02-01, fShellCorrectionVector correctly handled (mma)
30 // 28-10-02, add setMeanExcitationEnergy (V.Iv 35 // 28-10-02, add setMeanExcitationEnergy (V.Ivanchenko)
31 // 06-09-04, factor 2 to shell correction term << 36 // 06-09-04, factor 2 to shell correction term (V.Ivanchenko)
32 // 10-05-05, add a missing coma in FindMeanExc 37 // 10-05-05, add a missing coma in FindMeanExcitationEnergy() - Bug#746 (mma)
33 // 27-09-07, add computation of parameters for 38 // 27-09-07, add computation of parameters for ions (V.Ivanchenko)
34 // 04-03-08, remove reference to G4NistManager 39 // 04-03-08, remove reference to G4NistManager. Add fBirks constant (mma)
35 // 30-10-09, add G4DensityEffectData class and 40 // 30-10-09, add G4DensityEffectData class and density effect computation (VI)
36 41
37 #include "G4IonisParamMat.hh" << 42 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo.... ....oooOO0OOooo....
38 43
39 #include "G4AtomicShells.hh" << 44 #include "G4IonisParamMat.hh"
40 #include "G4AutoLock.hh" <<
41 #include "G4DensityEffectData.hh" <<
42 #include "G4Exp.hh" <<
43 #include "G4Log.hh" <<
44 #include "G4Material.hh" 45 #include "G4Material.hh"
>> 46 #include "G4DensityEffectData.hh"
45 #include "G4NistManager.hh" 47 #include "G4NistManager.hh"
46 #include "G4PhysicalConstants.hh" <<
47 #include "G4Pow.hh" 48 #include "G4Pow.hh"
>> 49 #include "G4PhysicalConstants.hh"
48 #include "G4SystemOfUnits.hh" 50 #include "G4SystemOfUnits.hh"
>> 51 #include "G4Log.hh"
>> 52 #include "G4Exp.hh"
49 53
50 G4DensityEffectData* G4IonisParamMat::fDensity << 54 G4DensityEffectData* G4IonisParamMat::fDensityData = 0;
51 <<
52 namespace <<
53 { <<
54 G4Mutex ionisMutex = G4MUTEX_INITIALIZER; <<
55 } <<
56 55
57 //....oooOO0OOooo........oooOO0OOooo........oo 56 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo.... ....oooOO0OOooo....
58 57
59 G4IonisParamMat::G4IonisParamMat(const G4Mater << 58 G4IonisParamMat::G4IonisParamMat(G4Material* material)
>> 59 : fMaterial(material)
60 { 60 {
61 fBirks = 0.; 61 fBirks = 0.;
62 fMeanEnergyPerIon = 0.0; 62 fMeanEnergyPerIon = 0.0;
63 twoln10 = 2. * G4Pow::GetInstance()->logZ(10 << 63 twoln10 = 2.*G4Pow::GetInstance()->logZ(10);
64 64
65 // minimal set of default parameters for den 65 // minimal set of default parameters for density effect
66 fCdensity = 0.0; 66 fCdensity = 0.0;
67 fD0density = 0.0; 67 fD0density = 0.0;
68 fAdjustmentFactor = 1.0; 68 fAdjustmentFactor = 1.0;
69 if (fDensityData == nullptr) { << 69 if(!fDensityData) { fDensityData = new G4DensityEffectData(); }
70 fDensityData = new G4DensityEffectData(); <<
71 } <<
72 fDensityEffectCalc = nullptr; <<
73 70
74 // compute parameters 71 // compute parameters
75 ComputeMeanParameters(); 72 ComputeMeanParameters();
76 ComputeDensityEffectParameters(); << 73 ComputeDensityEffect();
77 ComputeFluctModel(); 74 ComputeFluctModel();
78 ComputeIonParameters(); 75 ComputeIonParameters();
79 } 76 }
80 77
81 //....oooOO0OOooo........oooOO0OOooo........oo 78 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo.... ....oooOO0OOooo....
82 79
83 G4IonisParamMat::~G4IonisParamMat() << 80 // Fake default constructor - sets only member data and allocates memory
>> 81 // for usage restricted to object persistency
>> 82
>> 83 G4IonisParamMat::G4IonisParamMat(__void__&)
>> 84 : fMaterial(0), fShellCorrectionVector(0)
84 { 85 {
85 delete fDensityEffectCalc; << 86 fMeanExcitationEnergy = 0.0;
86 delete[] fShellCorrectionVector; << 87 fLogMeanExcEnergy = 0.0;
87 delete fDensityData; << 88 fTaul = 0.0;
88 fDensityData = nullptr; << 89 fCdensity = 0.0;
89 fShellCorrectionVector = nullptr; << 90 fMdensity = 0.0;
90 fDensityEffectCalc = nullptr; << 91 fAdensity = 0.0;
>> 92 fX0density = 0.0;
>> 93 fX1density = 0.0;
>> 94 fD0density = 0.0;
>> 95 fPlasmaEnergy = 0.0;
>> 96 fAdjustmentFactor = 0.0;
>> 97 fF1fluct = 0.0;
>> 98 fF2fluct = 0.0;
>> 99 fEnergy1fluct = 0.0;
>> 100 fLogEnergy1fluct = 0.0;
>> 101 fEnergy2fluct = 0.0;
>> 102 fLogEnergy2fluct = 0.0;
>> 103 fEnergy0fluct = 0.0;
>> 104 fRateionexcfluct = 0.0;
>> 105 fZeff = 0.0;
>> 106 fFermiEnergy = 0.0;
>> 107 fLfactor = 0.0;
>> 108 fInvA23 = 0.0;
>> 109 fBirks = 0.0;
>> 110 fMeanEnergyPerIon = 0.0;
>> 111 twoln10 = 2.*G4Pow::GetInstance()->logZ(10);
>> 112
>> 113 if(!fDensityData) { fDensityData = new G4DensityEffectData(); }
91 } 114 }
92 115
93 //....oooOO0OOooo........oooOO0OOooo........oo 116 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo.... ....oooOO0OOooo....
94 117
95 G4double G4IonisParamMat::GetDensityCorrection << 118 G4IonisParamMat::~G4IonisParamMat()
96 { 119 {
97 // x = log10(beta*gamma) << 120 if (fShellCorrectionVector) { delete [] fShellCorrectionVector; }
98 G4double y = 0.0; << 121 if (fDensityData) { delete fDensityData; }
99 if (x < fX0density) { << 122 fDensityData = 0;
100 if (fD0density > 0.0) { << 123 fShellCorrectionVector = 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 } 124 }
112 125
113 //....oooOO0OOooo........oooOO0OOooo........oo 126 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo.... ....oooOO0OOooo....
114 127
115 void G4IonisParamMat::ComputeMeanParameters() 128 void G4IonisParamMat::ComputeMeanParameters()
116 { 129 {
117 // compute mean excitation energy and shell 130 // compute mean excitation energy and shell correction vector
118 fTaul = (*(fMaterial->GetElementVector()))[0 131 fTaul = (*(fMaterial->GetElementVector()))[0]->GetIonisation()->GetTaul();
119 132
120 std::size_t nElements = fMaterial->GetNumber << 133 fMeanExcitationEnergy = 0.;
>> 134 fLogMeanExcEnergy = 0.;
>> 135
>> 136 size_t nElements = fMaterial->GetNumberOfElements();
121 const G4ElementVector* elmVector = fMaterial 137 const G4ElementVector* elmVector = fMaterial->GetElementVector();
122 const G4double* nAtomsPerVolume = fMaterial- 138 const G4double* nAtomsPerVolume = fMaterial->GetVecNbOfAtomsPerVolume();
>> 139
>> 140 G4String ch = fMaterial->GetChemicalFormula();
123 141
124 fMeanExcitationEnergy = FindMeanExcitationEn << 142 if(ch != "") { fMeanExcitationEnergy = FindMeanExcitationEnergy(ch); }
125 fLogMeanExcEnergy = 0.; <<
126 143
127 // Chemical formula defines mean excitation 144 // Chemical formula defines mean excitation energy
128 if (fMeanExcitationEnergy > 0.0) { << 145 if(fMeanExcitationEnergy > 0.0) {
129 fLogMeanExcEnergy = G4Log(fMeanExcitationE 146 fLogMeanExcEnergy = G4Log(fMeanExcitationEnergy);
130 147
131 // Compute average << 148 // Compute average
132 } << 149 } else {
133 else { << 150 for (size_t i=0; i < nElements; i++) {
134 for (std::size_t i = 0; i < nElements; ++i <<
135 const G4Element* elm = (*elmVector)[i]; 151 const G4Element* elm = (*elmVector)[i];
136 fLogMeanExcEnergy += << 152 fLogMeanExcEnergy += nAtomsPerVolume[i]*elm->GetZ()
137 nAtomsPerVolume[i] * elm->GetZ() * G4L << 153 *G4Log(elm->GetIonisation()->GetMeanExcitationEnergy());
138 } 154 }
139 fLogMeanExcEnergy /= fMaterial->GetTotNbOf 155 fLogMeanExcEnergy /= fMaterial->GetTotNbOfElectPerVolume();
140 fMeanExcitationEnergy = G4Exp(fLogMeanExcE 156 fMeanExcitationEnergy = G4Exp(fLogMeanExcEnergy);
141 } 157 }
142 158
143 fShellCorrectionVector = new G4double[3]; << 159 fShellCorrectionVector = new G4double[3];
144 160
145 for (G4int j = 0; j <= 2; ++j) { << 161 for (G4int j=0; j<=2; j++)
>> 162 {
146 fShellCorrectionVector[j] = 0.; 163 fShellCorrectionVector[j] = 0.;
147 164
148 for (std::size_t k = 0; k < nElements; ++k << 165 for (size_t k=0; k<nElements; k++) {
149 fShellCorrectionVector[j] += << 166 fShellCorrectionVector[j] += nAtomsPerVolume[k]
150 nAtomsPerVolume[k] * (((*elmVector)[k] << 167 *(((*elmVector)[k])->GetIonisation()->GetShellCorrectionVector())[j];
151 } 168 }
152 fShellCorrectionVector[j] *= 2.0 / fMateri << 169 fShellCorrectionVector[j] *= 2.0/fMaterial->GetTotNbOfElectPerVolume();
153 } << 170 }
154 } 171 }
155 172
156 //....oooOO0OOooo........oooOO0OOooo........oo 173 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo.... ....oooOO0OOooo....
157 174
158 G4DensityEffectData* G4IonisParamMat::GetDensi << 175 G4DensityEffectData* G4IonisParamMat::GetDensityEffectData()
>> 176 {
159 return fDensityData; 177 return fDensityData;
160 } 178 }
161 179
162 //....oooOO0OOooo........oooOO0OOooo........oo 180 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo.... ....oooOO0OOooo....
163 << 181
164 void G4IonisParamMat::ComputeDensityEffectPara << 182 void G4IonisParamMat::ComputeDensityEffect()
165 { 183 {
166 G4State State = fMaterial->GetState(); 184 G4State State = fMaterial->GetState();
167 G4double density = fMaterial->GetDensity(); <<
168 185
169 // Check if density effect data exist in the 186 // Check if density effect data exist in the table
170 // R.M. Sternheimer, Atomic Data and Nuclear 187 // R.M. Sternheimer, Atomic Data and Nuclear Data Tables, 30: 261 (1984)
171 // or is assign to one of data set in this t <<
172 G4int idx = fDensityData->GetIndex(fMaterial 188 G4int idx = fDensityData->GetIndex(fMaterial->GetName());
173 auto nelm = (G4int)fMaterial->GetNumberOfEle << 189 G4int nelm= fMaterial->GetNumberOfElements();
174 G4int Z0 = ((*(fMaterial->GetElementVector() << 190 G4int Z0 = G4lrint((*(fMaterial->GetElementVector()))[0]->GetZ());
175 const G4Material* bmat = fMaterial->GetBaseM << 191 if(idx < 0 && 1 == nelm) {
176 G4NistManager* nist = G4NistManager::Instanc << 192 idx = fDensityData->GetElementIndex(Z0, fMaterial->GetState());
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 } 193 }
215 194
216 // for compound non-NIST materials with one << 195 //G4cout<<"DensityEffect for "<<fMaterial->GetName()<<" "<< idx << G4endl;
217 if (idx < 0 && 1 < nelm) { << 196
218 const G4double tot = fMaterial->GetTotNbOf << 197 if(idx >= 0) {
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 } <<
237 198
238 if (idx >= 0) { <<
239 // Take parameters for the density effect 199 // Take parameters for the density effect correction from
240 // R.M. Sternheimer et al. Density Effect << 200 // R.M. Sternheimer et al. Density Effect For The Ionization Loss
241 // of Charged Particles in Various Substan << 201 // of Charged Particles in Various Substances.
242 // Atom. Data Nucl. Data Tabl. 30 (1984) 2 << 202 // Atom. Data Nucl. Data Tabl. 30 (1984) 261-271.
243 203
244 fCdensity = fDensityData->GetCdensity(idx) << 204 fCdensity = fDensityData->GetCdensity(idx);
245 fMdensity = fDensityData->GetMdensity(idx) 205 fMdensity = fDensityData->GetMdensity(idx);
246 fAdensity = fDensityData->GetAdensity(idx) 206 fAdensity = fDensityData->GetAdensity(idx);
247 fX0density = fDensityData->GetX0density(id 207 fX0density = fDensityData->GetX0density(idx);
248 fX1density = fDensityData->GetX1density(id 208 fX1density = fDensityData->GetX1density(idx);
249 fD0density = fDensityData->GetDelta0densit 209 fD0density = fDensityData->GetDelta0density(idx);
250 fPlasmaEnergy = fDensityData->GetPlasmaEne 210 fPlasmaEnergy = fDensityData->GetPlasmaEnergy(idx);
251 fAdjustmentFactor = fDensityData->GetAdjus 211 fAdjustmentFactor = fDensityData->GetAdjustmentFactor(idx);
252 212
253 // parameter C is computed and not taken f << 213 // Correction for base material
254 // fCdensity = 1. + 2*G4Log(fMeanExcitatio << 214 const G4Material* bmat = fMaterial->GetBaseMaterial();
255 // G4cout << "IonisParamMat: " << fMateria << 215 if(bmat) {
256 // << " Cst= " << Cdensity << " C= " << 216 G4double corr = G4Log(bmat->GetDensity()/fMaterial->GetDensity());
257 << 217 fCdensity += corr;
258 // correction on nominal density << 218 fX0density += corr/twoln10;
259 fCdensity += corr; << 219 fX1density += corr/twoln10;
260 fX0density += corr / twoln10; << 220 }
261 fX1density += corr / twoln10; << 221
262 } << 222 } else {
263 else { << 223
264 static const G4double Cd2 = 4 * CLHEP::pi << 224 static const G4double Cd2 = 4*pi*hbarc_squared*classic_electr_radius;
265 fPlasmaEnergy = std::sqrt(Cd2 * fMaterial- << 225 fPlasmaEnergy = std::sqrt(Cd2*fMaterial->GetTotNbOfElectPerVolume());
266 226
267 // Compute parameters for the density effe 227 // Compute parameters for the density effect correction in DE/Dx formula.
268 // The parametrization is from R.M. Sternh 228 // The parametrization is from R.M. Sternheimer, Phys. Rev.B,3:3681 (1971)
269 G4int icase; 229 G4int icase;
270 << 230
271 fCdensity = 1. + 2 * G4Log(fMeanExcitation << 231 fCdensity = 1. + 2*G4Log(fMeanExcitationEnergy/fPlasmaEnergy);
272 // 232 //
273 // condensed materials 233 // condensed materials
274 // << 234 //
275 if ((State == kStateSolid) || (State == kS << 235 if ((State == kStateSolid)||(State == kStateLiquid)) {
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 } <<
287 236
288 if (fCdensity < ClimiS[icase]) { << 237 static const G4double E100eV = 100.*eV;
289 fX0density = 0.2; << 238 static const G4double ClimiS[] = {3.681 , 5.215 };
290 } << 239 static const G4double X0valS[] = {1.0 , 1.5 };
291 else { << 240 static const G4double X1valS[] = {2.0 , 3.0 };
292 fX0density = 0.326 * fCdensity - X0val << 241
293 } << 242 if(fMeanExcitationEnergy < E100eV) { icase = 0; }
294 << 243 else { icase = 1; }
295 fX1density = X1valS[icase]; << 244
296 fMdensity = 3.0; << 245 if(fCdensity < ClimiS[icase]) { fX0density = 0.2; }
297 << 246 else { fX0density = 0.326*fCdensity - X0valS[icase]; }
298 // special: Hydrogen << 247
>> 248 fX1density = X1valS[icase]; fMdensity = 3.0;
>> 249
>> 250 //special: Hydrogen
299 if (1 == nelm && 1 == Z0) { 251 if (1 == nelm && 1 == Z0) {
300 fX0density = 0.425; << 252 fX0density = 0.425; fX1density = 2.0; fMdensity = 5.949;
301 fX1density = 2.0; <<
302 fMdensity = 5.949; <<
303 } 253 }
304 } 254 }
305 else { << 255 //
306 // << 256 // gases
307 // gases << 257 //
308 // << 258 if (State == kStateGas) {
>> 259
309 fMdensity = 3.; 260 fMdensity = 3.;
310 fX1density = 4.0; 261 fX1density = 4.0;
311 << 262 //static const G4double ClimiG[] = {10.,10.5,11.,11.5,12.25,13.804};
312 if (fCdensity <= 10.) { << 263 //static const G4double X0valG[] = {1.6,1.7,1.8,1.9,2.0,2.0};
313 fX0density = 1.6; << 264 //static const G4double X1valG[] = {4.0,4.0,4.0,4.0,4.0,5.0};
314 } << 265
315 else if (fCdensity <= 10.5) { << 266 if(fCdensity < 10.) {
316 fX0density = 1.7; << 267 fX0density = 1.6;
317 } << 268 } else if(fCdensity < 11.5) {
318 else if (fCdensity <= 11.0) { << 269 fX0density = 1.6 + 0.2*(fCdensity - 10.);
319 fX0density = 1.8; << 270 } else if(fCdensity < 12.25) {
320 } << 271 fX0density = 1.9 + (fCdensity - 11.5)/7.5;
321 else if (fCdensity <= 11.5) { << 272 } else if(fCdensity < 13.804) {
322 fX0density = 1.9; << 273 fX0density = 2.0;
323 } << 274 fX1density = 4.0 + (fCdensity - 12.25)/1.554;
324 else if (fCdensity <= 12.25) { << 275 } else {
325 fX0density = 2.0; << 276 fX0density = 0.326*fCdensity-2.5; fX1density = 5.0;
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 } 277 }
335 << 278
336 // special: Hydrogen << 279 //special: Hydrogen
337 if (1 == nelm && 1 == Z0) { 280 if (1 == nelm && 1 == Z0) {
338 fX0density = 1.837; << 281 fX0density = 1.837; fX1density = 3.0; fMdensity = 4.754;
339 fX1density = 3.0; <<
340 fMdensity = 4.754; <<
341 } 282 }
342 << 283
343 // special: Helium << 284 //special: Helium
344 if (1 == nelm && 2 == Z0) { 285 if (1 == nelm && 2 == Z0) {
345 fX0density = 2.191; << 286 fX0density = 2.191; fX1density = 3.0; fMdensity = 3.297;
346 fX1density = 3.0; <<
347 fMdensity = 3.297; <<
348 } 287 }
349 } 288 }
350 } 289 }
351 290
352 // change parameters if the gas is not in ST 291 // change parameters if the gas is not in STP.
353 // For the correction the density(STP) is ne << 292 // For the correction the density(STP) is needed.
354 // Density(STP) is calculated here : << 293 // Density(STP) is calculated here :
355 << 294
356 if (State == kStateGas) { << 295
>> 296 if (State == kStateGas) {
>> 297 G4double Density = fMaterial->GetDensity();
357 G4double Pressure = fMaterial->GetPressure 298 G4double Pressure = fMaterial->GetPressure();
358 G4double Temp = fMaterial->GetTemperature( << 299 G4double Temp = fMaterial->GetTemperature();
359 << 300
360 G4double DensitySTP = density * STP_Pressu << 301 G4double DensitySTP = Density*STP_Pressure*Temp/(Pressure*STP_Temperature);
361 << 302
362 G4double ParCorr = G4Log(density / Density << 303 G4double ParCorr = G4Log(Density/DensitySTP);
363 << 304
364 fCdensity -= ParCorr; << 305 fCdensity -= ParCorr;
365 fX0density -= ParCorr / twoln10; << 306 fX0density -= ParCorr/twoln10;
366 fX1density -= ParCorr / twoln10; << 307 fX1density -= ParCorr/twoln10;
367 } << 308 }
368 << 309
369 // fAdensity parameter can be fixed for not << 310 // fAdensity parameter can be fixed for not conductive materials
370 if (0.0 == fD0density) { << 311 if(0.0 == fD0density) {
371 G4double Xa = fCdensity / twoln10; << 312 G4double Xa = fCdensity/twoln10;
372 fAdensity = twoln10 * (Xa - fX0density) / << 313 fAdensity = twoln10*(Xa-fX0density)
373 } << 314 /std::pow((fX1density-fX0density),fMdensity);
>> 315 }
>> 316 /*
>> 317 G4cout << "G4IonisParamMat: density effect data for <"
>> 318 << fMaterial->GetName()
>> 319 << "> " << G4endl;
>> 320 G4cout << "Eplasma(eV)= " << fPlasmaEnergy/eV
>> 321 << " rho= " << fAdjustmentFactor
>> 322 << " -C= " << fCdensity
>> 323 << " x0= " << fX0density
>> 324 << " x1= " << fX1density
>> 325 << " a= " << fAdensity
>> 326 << " m= " << fMdensity
>> 327 << G4endl;
>> 328 */
374 } 329 }
375 330
376 //....oooOO0OOooo........oooOO0OOooo........oo 331 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo.... ....oooOO0OOooo....
377 332
378 void G4IonisParamMat::ComputeFluctModel() 333 void G4IonisParamMat::ComputeFluctModel()
379 { 334 {
380 // compute parameters for the energy loss fl 335 // compute parameters for the energy loss fluctuation model
381 // needs an 'effective Z' << 336 // needs an 'effective Z'
382 G4double Zeff = 0.; 337 G4double Zeff = 0.;
383 for (std::size_t i = 0; i < fMaterial->GetNu << 338 for (size_t i=0;i<fMaterial->GetNumberOfElements();i++) {
384 Zeff += (fMaterial->GetFractionVector())[i << 339 Zeff += (fMaterial->GetFractionVector())[i]
385 } << 340 *((*(fMaterial->GetElementVector()))[i]->GetZ());
386 if (Zeff > 2.1) { << 341 }
387 fF2fluct = 2.0 / Zeff; << 342 if (Zeff > 2.) { fF2fluct = 2./Zeff; }
388 fF1fluct = 1. - fF2fluct; << 343 else { fF2fluct = 0.; }
389 fEnergy2fluct = 10. * Zeff * Zeff * CLHEP: << 344
390 fLogEnergy2fluct = G4Log(fEnergy2fluct); << 345 fF1fluct = 1. - fF2fluct;
391 fLogEnergy1fluct = (fLogMeanExcEnergy - fF << 346 fEnergy2fluct = 10.*Zeff*Zeff*eV;
392 } else if (Zeff > 1.1) { << 347 fLogEnergy2fluct = G4Log(fEnergy2fluct);
393 fF2fluct = 0.0; << 348 fLogEnergy1fluct = (fLogMeanExcEnergy - fF2fluct*fLogEnergy2fluct)
394 fF1fluct = 1.0; << 349 /fF1fluct;
395 fEnergy2fluct = 40. * CLHEP::eV; << 350 fEnergy1fluct = G4Exp(fLogEnergy1fluct);
396 fLogEnergy2fluct = G4Log(fEnergy2fluct); << 351 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; 352 fRateionexcfluct = 0.4;
408 } 353 }
409 354
410 //....oooOO0OOooo........oooOO0OOooo........oo 355 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo.... ....oooOO0OOooo....
411 356
412 void G4IonisParamMat::ComputeIonParameters() 357 void G4IonisParamMat::ComputeIonParameters()
413 { 358 {
414 // get elements in the actual material, 359 // get elements in the actual material,
415 const G4ElementVector* theElementVector = fM << 360 const G4ElementVector* theElementVector = fMaterial->GetElementVector() ;
416 const G4double* theAtomicNumDensityVector = << 361 const G4double* theAtomicNumDensityVector =
417 const auto NumberOfElements = (G4int)fMateri << 362 fMaterial->GetAtomicNumDensityVector() ;
>> 363 const G4int NumberOfElements = fMaterial->GetNumberOfElements() ;
418 364
419 // loop for the elements in the material 365 // loop for the elements in the material
420 // to find out average values Z, vF, lF 366 // to find out average values Z, vF, lF
421 G4double z(0.0), vF(0.0), lF(0.0), a23(0.0); << 367 G4double z(0.0), vF(0.0), lF(0.0), norm(0.0), a23(0.0);
422 368
423 G4Pow* g4pow = G4Pow::GetInstance(); << 369 if( 1 == NumberOfElements ) {
424 if (1 == NumberOfElements) { <<
425 const G4Element* element = (*theElementVec 370 const G4Element* element = (*theElementVector)[0];
426 z = element->GetZ(); 371 z = element->GetZ();
427 vF = element->GetIonisation()->GetFermiVel << 372 vF= element->GetIonisation()->GetFermiVelocity();
428 lF = element->GetIonisation()->GetLFactor( << 373 lF= element->GetIonisation()->GetLFactor();
429 a23 = 1.0 / g4pow->A23(element->GetN()); << 374 a23 = 1.0/G4Pow::GetInstance()->Z23(G4int(element->GetN()));
430 } << 375
431 else { << 376 } else {
432 G4double norm(0.0); << 377 for (G4int iel=0; iel<NumberOfElements; iel++)
433 for (G4int iel = 0; iel < NumberOfElements << 378 {
434 const G4Element* element = (*theElementV << 379 const G4Element* element = (*theElementVector)[iel];
435 const G4double weight = theAtomicNumDens << 380 const G4double weight = theAtomicNumDensityVector[iel];
436 norm += weight; << 381 norm += weight ;
437 z += element->GetZ() * weight; << 382 z += element->GetZ() * weight;
438 vF += element->GetIonisation()->GetFermi << 383 vF += element->GetIonisation()->GetFermiVelocity() * weight;
439 lF += element->GetIonisation()->GetLFact << 384 lF += element->GetIonisation()->GetLFactor() * weight;
440 a23 += weight / g4pow->A23(element->GetN << 385 a23 += weight/G4Pow::GetInstance()->Z23(G4int(element->GetN()));
441 } << 386 }
442 if (norm > 0.0) { norm = 1.0/norm; } << 387 z /= norm;
443 z *= norm; << 388 vF /= norm;
444 vF *= norm; << 389 lF /= norm;
445 lF *= norm; << 390 a23 /= norm;
446 a23 *= norm; << 391 }
447 } << 392 fZeff = z;
448 fZeff = z; << 393 fLfactor = lF;
449 fLfactor = lF; << 394 fFermiEnergy = 25.*keV*vF*vF;
450 fFermiEnergy = 25. * CLHEP::keV * vF * vF; << 395 fInvA23 = a23;
451 fInvA23 = a23; <<
452 } 396 }
453 397
454 //....oooOO0OOooo........oooOO0OOooo........oo 398 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo.... ....oooOO0OOooo....
455 399
456 void G4IonisParamMat::SetMeanExcitationEnergy( 400 void G4IonisParamMat::SetMeanExcitationEnergy(G4double value)
457 { 401 {
458 if (value == fMeanExcitationEnergy || value << 402 if(value == fMeanExcitationEnergy || value <= 0.0) { return; }
459 return; <<
460 } <<
461 if (G4NistManager::Instance()->GetVerbose() 403 if (G4NistManager::Instance()->GetVerbose() > 1) {
462 G4cout << "G4Material: Mean excitation ene << 404 G4cout << "G4Material: Mean excitation energy is changed for "
463 << " Iold= " << fMeanExcitationEner << 405 << fMaterial->GetName()
>> 406 << " Iold= " << fMeanExcitationEnergy/eV
>> 407 << "eV; Inew= " << value/eV << " eV;"
464 << G4endl; 408 << G4endl;
465 } 409 }
466 << 410
467 fMeanExcitationEnergy = value; 411 fMeanExcitationEnergy = value;
468 412
469 // add corrections to density effect 413 // add corrections to density effect
470 G4double newlog = G4Log(value); 414 G4double newlog = G4Log(value);
471 G4double corr = 2 * (newlog - fLogMeanExcEne << 415 G4double corr = 2*(newlog - fLogMeanExcEnergy);
472 fCdensity += corr; << 416 fCdensity += corr;
473 fX0density += corr / twoln10; << 417 fX0density += corr/twoln10;
474 fX1density += corr / twoln10; << 418 fX1density += corr/twoln10;
475 419
476 // recompute parameters of fluctuation model 420 // recompute parameters of fluctuation model
477 fLogMeanExcEnergy = newlog; 421 fLogMeanExcEnergy = newlog;
478 ComputeFluctModel(); 422 ComputeFluctModel();
479 } 423 }
480 424
481 //....oooOO0OOooo........oooOO0OOooo........oo 425 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo.... ....oooOO0OOooo....
482 426
483 void G4IonisParamMat::SetDensityEffectParamete << 427 G4double G4IonisParamMat::FindMeanExcitationEnergy(const G4String& chFormula)
484 G4double cd, G4double md, G4double ad, G4dou << 428 {
>> 429 // The data on mean excitation energy for compaunds
>> 430 // from "Stopping Powers for Electrons and Positrons"
>> 431 // ICRU Report N#37, 1984 (energy in eV)
>> 432
>> 433 size_t numberOfMolecula = 54;
>> 434 static const G4String name[54] = {
>> 435 // gas 0 - 12
>> 436 "NH_3", "C_4H_10", "CO_2", "C_2H_6", "C_7H_16-Gas",
>> 437 // "G4_AMMONIA", "G4_BUTANE","G4_CARBON_DIOXIDE","G4_ETHANE", "G4_N-HEPTANE"
>> 438 "C_6H_14-Gas", "CH_4", "NO", "N_2O", "C_8H_18-Gas",
>> 439 // "G4_N-HEXANE" , "G4_METHANE", "x", "G4_NITROUS_OXIDE", "G4_OCTANE"
>> 440 "C_5H_12-Gas", "C_3H_8", "H_2O-Gas",
>> 441 // "G4_N-PENTANE", "G4_PROPANE", "G4_WATER_VAPOR"
>> 442
>> 443 // liquid 13 - 39
>> 444 "C_3H_6O", "C_6H_5NH_2", "C_6H_6", "C_4H_9OH", "CCl_4",
>> 445 //"G4_ACETONE","G4_ANILINE","G4_BENZENE","G4_N-BUTYL_ALCOHOL","G4_CARBON_TETRACHLORIDE"
>> 446 "C_6H_5Cl", "CHCl_3", "C_6H_12", "C_6H_4Cl_2", "C_4Cl_2H_8O",
>> 447 //"G4_CHLOROBENZENE","G4_CHLOROFORM","G4_CYCLOHEXANE","G4_1,2-DICHLOROBENZENE","G4_DICHLORODIETHYL_ETHER"
>> 448 "C_2Cl_2H_4", "(C_2H_5)_2O", "C_2H_5OH", "C_3H_5(OH)_3","C_7H_16",
>> 449 //"G4_1,2-DICHLOROETHANE","G4_DIETHYL_ETHER","G4_ETHYL_ALCOHOL","G4_GLYCEROL","G4_N-HEPTANE"
>> 450 "C_6H_14", "CH_3OH", "C_6H_5NO_2","C_5H_12", "C_3H_7OH",
>> 451 //"G4_N-HEXANE","G4_METHANOL","G4_NITROBENZENE","G4_N-PENTANE","G4_N-PROPYL_ALCOHOL",
>> 452 "C_5H_5N", "C_8H_8", "C_2Cl_4", "C_7H_8", "C_2Cl_3H",
>> 453 //"G4_PYRIDINE","G4_POLYSTYRENE","G4_TETRACHLOROETHYLENE","G4_TOLUENE","G4_TRICHLOROETHYLENE"
>> 454 "H_2O", "C_8H_10",
>> 455 // "G4_WATER", "G4_XYLENE"
>> 456
>> 457 // solid 40 - 53
>> 458 "C_5H_5N_5", "C_5H_5N_5O", "(C_6H_11NO)-nylon", "C_25H_52",
>> 459 // "G4_ADENINE", "G4_GUANINE", "G4_NYLON-6-6", "G4_PARAFFIN"
>> 460 "(C_2H_4)-Polyethylene", "(C_5H_8O_2)-Polymethil_Methacrylate",
>> 461 // "G4_ETHYLENE", "G4_PLEXIGLASS"
>> 462 "(C_8H_8)-Polystyrene", "A-150-tissue", "Al_2O_3", "CaF_2",
>> 463 // "G4_POLYSTYRENE", "G4_A-150_TISSUE", "G4_ALUMINUM_OXIDE", "G4_CALCIUM_FLUORIDE"
>> 464 "LiF", "Photo_Emulsion", "(C_2F_4)-Teflon", "SiO_2"
>> 465 // "G4_LITHIUM_FLUORIDE", "G4_PHOTO_EMULSION", "G4_TEFLON", "G4_SILICON_DIOXIDE"
>> 466 } ;
>> 467
>> 468 static const G4double meanExcitation[54] = {
>> 469
>> 470 53.7, 48.3, 85.0, 45.4, 49.2,
>> 471 49.1, 41.7, 87.8, 84.9, 49.5,
>> 472 48.2, 47.1, 71.6,
>> 473
>> 474 64.2, 66.2, 63.4, 59.9, 166.3,
>> 475 89.1, 156.0, 56.4, 106.5, 103.3,
>> 476 111.9, 60.0, 62.9, 72.6, 54.4,
>> 477 54.0, 67.6, 75.8, 53.6, 61.1,
>> 478 66.2, 64.0, 159.2, 62.5, 148.1,
>> 479 75.0, 61.8,
>> 480
>> 481 71.4, 75.0, 63.9, 48.3, 57.4,
>> 482 74.0, 68.7, 65.1, 145.2, 166.,
>> 483 94.0, 331.0, 99.1, 139.2
>> 484 };
>> 485
>> 486 G4double x = fMeanExcitationEnergy;
>> 487
>> 488 for(size_t i=0; i<numberOfMolecula; i++) {
>> 489 if(chFormula == name[i]) {
>> 490 x = meanExcitation[i]*eV;
>> 491 break;
>> 492 }
>> 493 }
>> 494 return x;
>> 495 }
>> 496
>> 497 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo.... ....oooOO0OOooo....
>> 498 /*
>> 499 G4IonisParamMat::G4IonisParamMat(const G4IonisParamMat& right)
>> 500 {
>> 501 fShellCorrectionVector = 0;
>> 502 fMaterial = 0;
>> 503 *this = right;
>> 504 }
>> 505 */
>> 506 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo.... ....oooOO0OOooo....
>> 507
>> 508 G4IonisParamMat& G4IonisParamMat::operator=(const G4IonisParamMat& right)
>> 509 {
>> 510 if (this != &right)
>> 511 {
>> 512 fMaterial = right.fMaterial;
>> 513 fMeanExcitationEnergy = right.fMeanExcitationEnergy;
>> 514 fLogMeanExcEnergy = right.fLogMeanExcEnergy;
>> 515 if(fShellCorrectionVector){ delete [] fShellCorrectionVector; }
>> 516 fShellCorrectionVector = new G4double[3];
>> 517 fShellCorrectionVector[0] = right.fShellCorrectionVector[0];
>> 518 fShellCorrectionVector[1] = right.fShellCorrectionVector[1];
>> 519 fShellCorrectionVector[2] = right.fShellCorrectionVector[2];
>> 520 fTaul = right.fTaul;
>> 521 fCdensity = right.fCdensity;
>> 522 fMdensity = right.fMdensity;
>> 523 fAdensity = right.fAdensity;
>> 524 fX0density = right.fX0density;
>> 525 fX1density = right.fX1density;
>> 526 fD0density = right.fD0density;
>> 527 fPlasmaEnergy = right.fPlasmaEnergy;
>> 528 fAdjustmentFactor = right.fAdjustmentFactor;
>> 529 fF1fluct = right.fF1fluct;
>> 530 fF2fluct = right.fF2fluct;
>> 531 fEnergy1fluct = right.fEnergy1fluct;
>> 532 fLogEnergy1fluct = right.fLogEnergy1fluct;
>> 533 fEnergy2fluct = right.fEnergy2fluct;
>> 534 fLogEnergy2fluct = right.fLogEnergy2fluct;
>> 535 fEnergy0fluct = right.fEnergy0fluct;
>> 536 fRateionexcfluct = right.fRateionexcfluct;
>> 537 fZeff = right.fZeff;
>> 538 fFermiEnergy = right.fFermiEnergy;
>> 539 fLfactor = right.fLfactor;
>> 540 fInvA23 = right.fInvA23;
>> 541 fBirks = right.fBirks;
>> 542 fMeanEnergyPerIon = right.fMeanEnergyPerIon;
>> 543 twoln10 = right.twoln10;
>> 544 }
>> 545 return *this;
>> 546 }
>> 547
>> 548 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo.... ....oooOO0OOooo....
>> 549
>> 550 G4int G4IonisParamMat::operator==(const G4IonisParamMat& right) const
485 { 551 {
486 // no check on consistence of user parameter << 552 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 } 553 }
496 554
497 //....oooOO0OOooo........oooOO0OOooo........oo 555 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo.... ....oooOO0OOooo....
498 556
499 void G4IonisParamMat::SetDensityEffectParamete << 557 G4int G4IonisParamMat::operator!=(const G4IonisParamMat& right) const
500 { << 558 {
501 G4AutoLock l(&ionisMutex); << 559 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 } 560 }
538 561
539 //....oooOO0OOooo........oooOO0OOooo........oo 562 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo.... ....oooOO0OOooo....
540 563
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 } <<
623 564