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>> 25 //
>> 26 //
>> 27 //
>> 28 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo.... ....oooOO0OOooo....
25 29
26 // 09-07-98, data moved from G4Material, M.Mai 30 // 09-07-98, data moved from G4Material, M.Maire
27 // 18-07-98, bug corrected in ComputeDensityEf 31 // 18-07-98, bug corrected in ComputeDensityEffect() for gas
28 // 16-01-01, bug corrected in ComputeDensityEf 32 // 16-01-01, bug corrected in ComputeDensityEffect() E100eV (L.Urban)
29 // 08-02-01, fShellCorrectionVector correctly 33 // 08-02-01, fShellCorrectionVector correctly handled (mma)
30 // 28-10-02, add setMeanExcitationEnergy (V.Iv 34 // 28-10-02, add setMeanExcitationEnergy (V.Ivanchenko)
31 // 06-09-04, factor 2 to shell correction term << 35 // 06-09-04, factor 2 to shell correction term (V.Ivanchenko)
32 // 10-05-05, add a missing coma in FindMeanExc 36 // 10-05-05, add a missing coma in FindMeanExcitationEnergy() - Bug#746 (mma)
33 // 27-09-07, add computation of parameters for 37 // 27-09-07, add computation of parameters for ions (V.Ivanchenko)
34 // 04-03-08, remove reference to G4NistManager 38 // 04-03-08, remove reference to G4NistManager. Add fBirks constant (mma)
35 // 30-10-09, add G4DensityEffectData class and 39 // 30-10-09, add G4DensityEffectData class and density effect computation (VI)
36 40
37 #include "G4IonisParamMat.hh" << 41 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo.... ....oooOO0OOooo....
38 42
39 #include "G4AtomicShells.hh" << 43 #include "G4IonisParamMat.hh"
40 #include "G4AutoLock.hh" <<
41 #include "G4DensityEffectData.hh" <<
42 #include "G4Exp.hh" <<
43 #include "G4Log.hh" <<
44 #include "G4Material.hh" 44 #include "G4Material.hh"
>> 45 #include "G4DensityEffectData.hh"
45 #include "G4NistManager.hh" 46 #include "G4NistManager.hh"
46 #include "G4PhysicalConstants.hh" <<
47 #include "G4Pow.hh" 47 #include "G4Pow.hh"
>> 48 #include "G4PhysicalConstants.hh"
48 #include "G4SystemOfUnits.hh" 49 #include "G4SystemOfUnits.hh"
49 50
50 G4DensityEffectData* G4IonisParamMat::fDensity 51 G4DensityEffectData* G4IonisParamMat::fDensityData = nullptr;
51 52
52 namespace << 53 #ifdef G4MULTITHREADED
53 { << 54 G4Mutex G4IonisParamMat::ionisMutex = G4MUTEX_INITIALIZER;
54 G4Mutex ionisMutex = G4MUTEX_INITIALIZER; << 55 #endif
55 } <<
56 56
57 //....oooOO0OOooo........oooOO0OOooo........oo 57 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo.... ....oooOO0OOooo....
58 58
59 G4IonisParamMat::G4IonisParamMat(const G4Mater << 59 G4IonisParamMat::G4IonisParamMat(const G4Material* material)
>> 60 : fMaterial(material)
60 { 61 {
61 fBirks = 0.; 62 fBirks = 0.;
62 fMeanEnergyPerIon = 0.0; 63 fMeanEnergyPerIon = 0.0;
63 twoln10 = 2. * G4Pow::GetInstance()->logZ(10 << 64 twoln10 = 2.*G4Pow::GetInstance()->logZ(10);
64 65
65 // minimal set of default parameters for den 66 // minimal set of default parameters for density effect
66 fCdensity = 0.0; 67 fCdensity = 0.0;
67 fD0density = 0.0; 68 fD0density = 0.0;
68 fAdjustmentFactor = 1.0; 69 fAdjustmentFactor = 1.0;
69 if (fDensityData == nullptr) { << 70 if(fDensityData == nullptr) { fDensityData = new G4DensityEffectData(); }
70 fDensityData = new G4DensityEffectData(); <<
71 } <<
72 fDensityEffectCalc = nullptr; <<
73 71
74 // compute parameters 72 // compute parameters
75 ComputeMeanParameters(); 73 ComputeMeanParameters();
76 ComputeDensityEffectParameters(); << 74 ComputeDensityEffect();
77 ComputeFluctModel(); 75 ComputeFluctModel();
78 ComputeIonParameters(); 76 ComputeIonParameters();
79 } 77 }
80 78
81 //....oooOO0OOooo........oooOO0OOooo........oo 79 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo.... ....oooOO0OOooo....
82 80
83 G4IonisParamMat::~G4IonisParamMat() << 81 // Fake default constructor - sets only member data and allocates memory
>> 82 // for usage restricted to object persistency
>> 83
>> 84 G4IonisParamMat::G4IonisParamMat(__void__&)
>> 85 : fMaterial(nullptr), fShellCorrectionVector(nullptr)
84 { 86 {
85 delete fDensityEffectCalc; << 87 fMeanExcitationEnergy = 0.0;
86 delete[] fShellCorrectionVector; << 88 fLogMeanExcEnergy = 0.0;
87 delete fDensityData; << 89 fTaul = 0.0;
88 fDensityData = nullptr; << 90 fCdensity = 0.0;
89 fShellCorrectionVector = nullptr; << 91 fMdensity = 0.0;
90 fDensityEffectCalc = nullptr; << 92 fAdensity = 0.0;
>> 93 fX0density = 0.0;
>> 94 fX1density = 0.0;
>> 95 fD0density = 0.0;
>> 96 fPlasmaEnergy = 0.0;
>> 97 fAdjustmentFactor = 0.0;
>> 98 fF1fluct = 0.0;
>> 99 fF2fluct = 0.0;
>> 100 fEnergy1fluct = 0.0;
>> 101 fLogEnergy1fluct = 0.0;
>> 102 fEnergy2fluct = 0.0;
>> 103 fLogEnergy2fluct = 0.0;
>> 104 fEnergy0fluct = 0.0;
>> 105 fRateionexcfluct = 0.0;
>> 106 fZeff = 0.0;
>> 107 fFermiEnergy = 0.0;
>> 108 fLfactor = 0.0;
>> 109 fInvA23 = 0.0;
>> 110 fBirks = 0.0;
>> 111 fMeanEnergyPerIon = 0.0;
>> 112 twoln10 = 2.*G4Pow::GetInstance()->logZ(10);
>> 113
>> 114 if(fDensityData == nullptr) { fDensityData = new G4DensityEffectData(); }
91 } 115 }
92 116
93 //....oooOO0OOooo........oooOO0OOooo........oo 117 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo.... ....oooOO0OOooo....
94 118
95 G4double G4IonisParamMat::GetDensityCorrection << 119 G4IonisParamMat::~G4IonisParamMat()
96 { 120 {
97 // x = log10(beta*gamma) << 121 delete [] fShellCorrectionVector;
98 G4double y = 0.0; << 122 delete fDensityData;
99 if (x < fX0density) { << 123 fDensityData = nullptr;
100 if (fD0density > 0.0) { << 124 fShellCorrectionVector = nullptr;
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 } 125 }
112 126
113 //....oooOO0OOooo........oooOO0OOooo........oo 127 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo.... ....oooOO0OOooo....
114 128
115 void G4IonisParamMat::ComputeMeanParameters() 129 void G4IonisParamMat::ComputeMeanParameters()
116 { 130 {
117 // compute mean excitation energy and shell 131 // compute mean excitation energy and shell correction vector
118 fTaul = (*(fMaterial->GetElementVector()))[0 132 fTaul = (*(fMaterial->GetElementVector()))[0]->GetIonisation()->GetTaul();
119 133
120 std::size_t nElements = fMaterial->GetNumber << 134 fMeanExcitationEnergy = 0.;
>> 135 fLogMeanExcEnergy = 0.;
>> 136
>> 137 size_t nElements = fMaterial->GetNumberOfElements();
121 const G4ElementVector* elmVector = fMaterial 138 const G4ElementVector* elmVector = fMaterial->GetElementVector();
122 const G4double* nAtomsPerVolume = fMaterial- 139 const G4double* nAtomsPerVolume = fMaterial->GetVecNbOfAtomsPerVolume();
123 << 140
124 fMeanExcitationEnergy = FindMeanExcitationEn 141 fMeanExcitationEnergy = FindMeanExcitationEnergy(fMaterial);
125 fLogMeanExcEnergy = 0.; <<
126 142
127 // Chemical formula defines mean excitation 143 // Chemical formula defines mean excitation energy
128 if (fMeanExcitationEnergy > 0.0) { << 144 if(fMeanExcitationEnergy > 0.0) {
129 fLogMeanExcEnergy = G4Log(fMeanExcitationE 145 fLogMeanExcEnergy = G4Log(fMeanExcitationEnergy);
130 146
131 // Compute average << 147 // Compute average
132 } << 148 } else {
133 else { << 149 for (size_t i=0; i < nElements; i++) {
134 for (std::size_t i = 0; i < nElements; ++i <<
135 const G4Element* elm = (*elmVector)[i]; 150 const G4Element* elm = (*elmVector)[i];
136 fLogMeanExcEnergy += << 151 fLogMeanExcEnergy += nAtomsPerVolume[i]*elm->GetZ()
137 nAtomsPerVolume[i] * elm->GetZ() * G4L << 152 *G4Log(elm->GetIonisation()->GetMeanExcitationEnergy());
138 } 153 }
139 fLogMeanExcEnergy /= fMaterial->GetTotNbOf 154 fLogMeanExcEnergy /= fMaterial->GetTotNbOfElectPerVolume();
140 fMeanExcitationEnergy = G4Exp(fLogMeanExcE 155 fMeanExcitationEnergy = G4Exp(fLogMeanExcEnergy);
141 } 156 }
142 157
143 fShellCorrectionVector = new G4double[3]; << 158 fShellCorrectionVector = new G4double[3];
144 159
145 for (G4int j = 0; j <= 2; ++j) { << 160 for (G4int j=0; j<=2; j++)
>> 161 {
146 fShellCorrectionVector[j] = 0.; 162 fShellCorrectionVector[j] = 0.;
147 163
148 for (std::size_t k = 0; k < nElements; ++k << 164 for (size_t k=0; k<nElements; k++) {
149 fShellCorrectionVector[j] += << 165 fShellCorrectionVector[j] += nAtomsPerVolume[k]
150 nAtomsPerVolume[k] * (((*elmVector)[k] << 166 *(((*elmVector)[k])->GetIonisation()->GetShellCorrectionVector())[j];
151 } 167 }
152 fShellCorrectionVector[j] *= 2.0 / fMateri << 168 fShellCorrectionVector[j] *= 2.0/fMaterial->GetTotNbOfElectPerVolume();
153 } << 169 }
154 } 170 }
155 171
156 //....oooOO0OOooo........oooOO0OOooo........oo 172 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo.... ....oooOO0OOooo....
157 173
158 G4DensityEffectData* G4IonisParamMat::GetDensi << 174 G4DensityEffectData* G4IonisParamMat::GetDensityEffectData()
>> 175 {
159 return fDensityData; 176 return fDensityData;
160 } 177 }
161 178
162 //....oooOO0OOooo........oooOO0OOooo........oo 179 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo.... ....oooOO0OOooo....
163 << 180
164 void G4IonisParamMat::ComputeDensityEffectPara << 181 void G4IonisParamMat::ComputeDensityEffect()
165 { 182 {
166 G4State State = fMaterial->GetState(); 183 G4State State = fMaterial->GetState();
167 G4double density = fMaterial->GetDensity(); <<
168 184
169 // Check if density effect data exist in the 185 // Check if density effect data exist in the table
170 // R.M. Sternheimer, Atomic Data and Nuclear 186 // 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 187 G4int idx = fDensityData->GetIndex(fMaterial->GetName());
173 auto nelm = (G4int)fMaterial->GetNumberOfEle << 188 G4int nelm= fMaterial->GetNumberOfElements();
174 G4int Z0 = ((*(fMaterial->GetElementVector() << 189 G4int Z0 = ((*(fMaterial->GetElementVector()))[0])->GetZasInt();
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; <<
182 190
183 // for simple non-NIST materials << 191 // for simple non-NIST materials
184 G4double corr = 0.0; 192 G4double corr = 0.0;
185 << 193 if(idx < 0 && 1 == nelm) {
186 if (idx < 0 && 1 == nelm) { << 194 idx = fDensityData->GetElementIndex(Z0, fMaterial->GetState());
187 G4int z = (1 == Z0 && State == kStateLiqui <<
188 idx = fDensityData->GetElementIndex(z); <<
189 195
190 // Correction for base material or for non 196 // Correction for base material or for non-nominal density
191 // Except cases of very different density 197 // Except cases of very different density defined in user code
192 if (idx >= 0 && 0 < z) { << 198 if(idx >= 0) {
193 G4double dens = nist->GetNominalDensity( << 199 const G4Material* bmat = fMaterial->GetBaseMaterial();
194 if (dens <= 0.0) { << 200 if(bmat) {
195 idx = -1; << 201 corr = G4Log(bmat->GetDensity()/fMaterial->GetDensity());
196 } << 202 } else {
197 else { << 203 G4double dens = G4NistManager::Instance()->GetNominalDensity(Z0);
198 corr = G4Log(dens / density); << 204 if(dens <= 0.0) { idx = -1; }
199 if (std::abs(corr) > corrmax) { << 205 else {
200 idx = -1; << 206 corr = G4Log(dens/fMaterial->GetDensity());
201 } << 207 }
202 } << 208 }
203 } << 209 // 1.0 is an arbitrary empirical limit
204 } << 210 // parameterisation with very different density is not applicable
205 // for base material case << 211 if(std::abs(corr) > 1.0) { idx = -1; }
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 } 212 }
214 } 213 }
215 214
216 // for compound non-NIST materials with one << 215 //G4cout<<"DensityEffect for "<<fMaterial->GetName()<<" "<< idx << G4endl;
217 if (idx < 0 && 1 < nelm) { << 216
218 const G4double tot = fMaterial->GetTotNbOf << 217 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 } <<
237 218
238 if (idx >= 0) { <<
239 // Take parameters for the density effect 219 // Take parameters for the density effect correction from
240 // R.M. Sternheimer et al. Density Effect << 220 // R.M. Sternheimer et al. Density Effect For The Ionization Loss
241 // of Charged Particles in Various Substan << 221 // of Charged Particles in Various Substances.
242 // Atom. Data Nucl. Data Tabl. 30 (1984) 2 << 222 // Atom. Data Nucl. Data Tabl. 30 (1984) 261-271.
243 << 223
244 fCdensity = fDensityData->GetCdensity(idx) << 224 fCdensity = fDensityData->GetCdensity(idx);
245 fMdensity = fDensityData->GetMdensity(idx) << 225 fMdensity = fDensityData->GetMdensity(idx);
246 fAdensity = fDensityData->GetAdensity(idx) << 226 fAdensity = fDensityData->GetAdensity(idx);
247 fX0density = fDensityData->GetX0density(id 227 fX0density = fDensityData->GetX0density(idx);
248 fX1density = fDensityData->GetX1density(id 228 fX1density = fDensityData->GetX1density(idx);
249 fD0density = fDensityData->GetDelta0densit 229 fD0density = fDensityData->GetDelta0density(idx);
250 fPlasmaEnergy = fDensityData->GetPlasmaEne 230 fPlasmaEnergy = fDensityData->GetPlasmaEnergy(idx);
251 fAdjustmentFactor = fDensityData->GetAdjus 231 fAdjustmentFactor = fDensityData->GetAdjustmentFactor(idx);
252 232
253 // parameter C is computed and not taken f 233 // parameter C is computed and not taken from Sternheimer tables
254 // fCdensity = 1. + 2*G4Log(fMeanExcitatio << 234 //fCdensity = 1. + 2*G4Log(fMeanExcitationEnergy/fPlasmaEnergy);
255 // G4cout << "IonisParamMat: " << fMateria << 235 //G4cout << "IonisParamMat: " << fMaterial->GetName()
256 // << " Cst= " << Cdensity << " C= " 236 // << " Cst= " << Cdensity << " C= " << fCdensity << G4endl;
257 237
258 // correction on nominal density 238 // correction on nominal density
259 fCdensity += corr; << 239 fCdensity += corr;
260 fX0density += corr / twoln10; << 240 fX0density += corr/twoln10;
261 fX1density += corr / twoln10; << 241 fX1density += corr/twoln10;
262 } << 242
263 else { << 243 } else {
264 static const G4double Cd2 = 4 * CLHEP::pi << 244
265 fPlasmaEnergy = std::sqrt(Cd2 * fMaterial- << 245 static const G4double Cd2 = 4*pi*hbarc_squared*classic_electr_radius;
>> 246 fPlasmaEnergy = std::sqrt(Cd2*fMaterial->GetTotNbOfElectPerVolume());
266 247
267 // Compute parameters for the density effe 248 // Compute parameters for the density effect correction in DE/Dx formula.
268 // The parametrization is from R.M. Sternh 249 // The parametrization is from R.M. Sternheimer, Phys. Rev.B,3:3681 (1971)
269 G4int icase; 250 G4int icase;
270 << 251
271 fCdensity = 1. + 2 * G4Log(fMeanExcitation << 252 fCdensity = 1. + 2*G4Log(fMeanExcitationEnergy/fPlasmaEnergy);
272 // 253 //
273 // condensed materials 254 // condensed materials
274 // << 255 //
275 if ((State == kStateSolid) || (State == kS << 256 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 <<
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; <<
297 257
298 // special: Hydrogen << 258 static const G4double E100eV = 100.*eV;
>> 259 static const G4double ClimiS[] = {3.681 , 5.215 };
>> 260 static const G4double X0valS[] = {1.0 , 1.5 };
>> 261 static const G4double X1valS[] = {2.0 , 3.0 };
>> 262
>> 263 if(fMeanExcitationEnergy < E100eV) { icase = 0; }
>> 264 else { icase = 1; }
>> 265
>> 266 if(fCdensity < ClimiS[icase]) { fX0density = 0.2; }
>> 267 else { fX0density = 0.326*fCdensity - X0valS[icase]; }
>> 268
>> 269 fX1density = X1valS[icase]; fMdensity = 3.0;
>> 270
>> 271 //special: Hydrogen
299 if (1 == nelm && 1 == Z0) { 272 if (1 == nelm && 1 == Z0) {
300 fX0density = 0.425; << 273 fX0density = 0.425; fX1density = 2.0; fMdensity = 5.949;
301 fX1density = 2.0; <<
302 fMdensity = 5.949; <<
303 } 274 }
304 } << 275 } else {
305 else { <<
306 // 276 //
307 // gases 277 // gases
308 // 278 //
309 fMdensity = 3.; 279 fMdensity = 3.;
310 fX1density = 4.0; 280 fX1density = 4.0;
311 << 281 //static const G4double ClimiG[] = {10.,10.5,11.,11.5,12.25,13.804};
312 if (fCdensity <= 10.) { << 282 //static const G4double X0valG[] = {1.6,1.7,1.8,1.9,2.0,2.0};
313 fX0density = 1.6; << 283 //static const G4double X1valG[] = {4.0,4.0,4.0,4.0,4.0,5.0};
314 } << 284
315 else if (fCdensity <= 10.5) { << 285 if(fCdensity < 10.) {
316 fX0density = 1.7; << 286 fX0density = 1.6;
317 } << 287 } else if(fCdensity < 11.5) {
318 else if (fCdensity <= 11.0) { << 288 fX0density = 1.6 + 0.2*(fCdensity - 10.);
319 fX0density = 1.8; << 289 } else if(fCdensity < 12.25) {
320 } << 290 fX0density = 1.9 + (fCdensity - 11.5)/7.5;
321 else if (fCdensity <= 11.5) { << 291 } else if(fCdensity < 13.804) {
322 fX0density = 1.9; << 292 fX0density = 2.0;
323 } << 293 fX1density = 4.0 + (fCdensity - 12.25)/1.554;
324 else if (fCdensity <= 12.25) { << 294 } else {
325 fX0density = 2.0; << 295 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 } 296 }
331 else { << 297
332 fX0density = 0.326 * fCdensity - 2.5; << 298 //special: Hydrogen
333 fX1density = 5.0; <<
334 } <<
335 <<
336 // special: Hydrogen <<
337 if (1 == nelm && 1 == Z0) { 299 if (1 == nelm && 1 == Z0) {
338 fX0density = 1.837; << 300 fX0density = 1.837; fX1density = 3.0; fMdensity = 4.754;
339 fX1density = 3.0; <<
340 fMdensity = 4.754; <<
341 } 301 }
342 << 302
343 // special: Helium << 303 //special: Helium
344 if (1 == nelm && 2 == Z0) { 304 if (1 == nelm && 2 == Z0) {
345 fX0density = 2.191; << 305 fX0density = 2.191; fX1density = 3.0; fMdensity = 3.297;
346 fX1density = 3.0; <<
347 fMdensity = 3.297; <<
348 } 306 }
349 } 307 }
350 } 308 }
351 309
352 // change parameters if the gas is not in ST 310 // change parameters if the gas is not in STP.
353 // For the correction the density(STP) is ne << 311 // For the correction the density(STP) is needed.
354 // Density(STP) is calculated here : << 312 // Density(STP) is calculated here :
355 << 313
356 if (State == kStateGas) { << 314
>> 315 if (State == kStateGas) {
>> 316 G4double Density = fMaterial->GetDensity();
357 G4double Pressure = fMaterial->GetPressure 317 G4double Pressure = fMaterial->GetPressure();
358 G4double Temp = fMaterial->GetTemperature( << 318 G4double Temp = fMaterial->GetTemperature();
359 << 319
360 G4double DensitySTP = density * STP_Pressu << 320 G4double DensitySTP = Density*STP_Pressure*Temp/(Pressure*NTP_Temperature);
361 << 321
362 G4double ParCorr = G4Log(density / Density << 322 G4double ParCorr = G4Log(Density/DensitySTP);
363 << 323
364 fCdensity -= ParCorr; << 324 fCdensity -= ParCorr;
365 fX0density -= ParCorr / twoln10; << 325 fX0density -= ParCorr/twoln10;
366 fX1density -= ParCorr / twoln10; << 326 fX1density -= ParCorr/twoln10;
367 } << 327 }
368 << 328
369 // fAdensity parameter can be fixed for not << 329 // fAdensity parameter can be fixed for not conductive materials
370 if (0.0 == fD0density) { << 330 if(0.0 == fD0density) {
371 G4double Xa = fCdensity / twoln10; << 331 G4double Xa = fCdensity/twoln10;
372 fAdensity = twoln10 * (Xa - fX0density) / << 332 fAdensity = twoln10*(Xa-fX0density)
373 } << 333 /std::pow((fX1density-fX0density),fMdensity);
>> 334 }
>> 335 /*
>> 336 G4cout << "G4IonisParamMat: density effect data for <"
>> 337 << fMaterial->GetName()
>> 338 << "> " << G4endl;
>> 339 G4cout << "Eplasma(eV)= " << fPlasmaEnergy/eV
>> 340 << " rho= " << fAdjustmentFactor
>> 341 << " -C= " << fCdensity
>> 342 << " x0= " << fX0density
>> 343 << " x1= " << fX1density
>> 344 << " a= " << fAdensity
>> 345 << " m= " << fMdensity
>> 346 << G4endl;
>> 347 */
374 } 348 }
375 349
376 //....oooOO0OOooo........oooOO0OOooo........oo 350 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo.... ....oooOO0OOooo....
377 351
378 void G4IonisParamMat::ComputeFluctModel() 352 void G4IonisParamMat::ComputeFluctModel()
379 { 353 {
380 // compute parameters for the energy loss fl 354 // compute parameters for the energy loss fluctuation model
381 // needs an 'effective Z' << 355 // needs an 'effective Z'
382 G4double Zeff = 0.; 356 G4double Zeff = 0.;
383 for (std::size_t i = 0; i < fMaterial->GetNu << 357 for (size_t i=0;i<fMaterial->GetNumberOfElements();i++) {
384 Zeff += (fMaterial->GetFractionVector())[i << 358 Zeff += (fMaterial->GetFractionVector())[i]
385 } << 359 *((*(fMaterial->GetElementVector()))[i]->GetZ());
386 if (Zeff > 2.1) { << 360 }
387 fF2fluct = 2.0 / Zeff; << 361 if (Zeff > 2.) { fF2fluct = 2./Zeff; }
388 fF1fluct = 1. - fF2fluct; << 362 else { fF2fluct = 0.; }
389 fEnergy2fluct = 10. * Zeff * Zeff * CLHEP: << 363
390 fLogEnergy2fluct = G4Log(fEnergy2fluct); << 364 fF1fluct = 1. - fF2fluct;
391 fLogEnergy1fluct = (fLogMeanExcEnergy - fF << 365 fEnergy2fluct = 10.*Zeff*Zeff*eV;
392 } else if (Zeff > 1.1) { << 366 fLogEnergy2fluct = G4Log(fEnergy2fluct);
393 fF2fluct = 0.0; << 367 fLogEnergy1fluct = (fLogMeanExcEnergy - fF2fluct*fLogEnergy2fluct)
394 fF1fluct = 1.0; << 368 /fF1fluct;
395 fEnergy2fluct = 40. * CLHEP::eV; << 369 fEnergy1fluct = G4Exp(fLogEnergy1fluct);
396 fLogEnergy2fluct = G4Log(fEnergy2fluct); << 370 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; 371 fRateionexcfluct = 0.4;
408 } 372 }
409 373
410 //....oooOO0OOooo........oooOO0OOooo........oo 374 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo.... ....oooOO0OOooo....
411 375
412 void G4IonisParamMat::ComputeIonParameters() 376 void G4IonisParamMat::ComputeIonParameters()
413 { 377 {
414 // get elements in the actual material, 378 // get elements in the actual material,
415 const G4ElementVector* theElementVector = fM << 379 const G4ElementVector* theElementVector = fMaterial->GetElementVector() ;
416 const G4double* theAtomicNumDensityVector = << 380 const G4double* theAtomicNumDensityVector =
417 const auto NumberOfElements = (G4int)fMateri << 381 fMaterial->GetAtomicNumDensityVector() ;
>> 382 const G4int NumberOfElements = fMaterial->GetNumberOfElements() ;
418 383
419 // loop for the elements in the material 384 // loop for the elements in the material
420 // to find out average values Z, vF, lF 385 // to find out average values Z, vF, lF
421 G4double z(0.0), vF(0.0), lF(0.0), a23(0.0); << 386 G4double z(0.0), vF(0.0), lF(0.0), norm(0.0), a23(0.0);
422 387
423 G4Pow* g4pow = G4Pow::GetInstance(); 388 G4Pow* g4pow = G4Pow::GetInstance();
424 if (1 == NumberOfElements) { << 389 if( 1 == NumberOfElements ) {
425 const G4Element* element = (*theElementVec 390 const G4Element* element = (*theElementVector)[0];
426 z = element->GetZ(); 391 z = element->GetZ();
427 vF = element->GetIonisation()->GetFermiVel << 392 vF= element->GetIonisation()->GetFermiVelocity();
428 lF = element->GetIonisation()->GetLFactor( << 393 lF= element->GetIonisation()->GetLFactor();
429 a23 = 1.0 / g4pow->A23(element->GetN()); << 394 a23 = 1.0/g4pow->A23(element->GetN());
430 } << 395
431 else { << 396 } else {
432 G4double norm(0.0); << 397 for (G4int iel=0; iel<NumberOfElements; iel++)
433 for (G4int iel = 0; iel < NumberOfElements << 398 {
434 const G4Element* element = (*theElementV << 399 const G4Element* element = (*theElementVector)[iel];
435 const G4double weight = theAtomicNumDens << 400 const G4double weight = theAtomicNumDensityVector[iel];
436 norm += weight; << 401 norm += weight ;
437 z += element->GetZ() * weight; << 402 z += element->GetZ() * weight;
438 vF += element->GetIonisation()->GetFermi << 403 vF += element->GetIonisation()->GetFermiVelocity() * weight;
439 lF += element->GetIonisation()->GetLFact << 404 lF += element->GetIonisation()->GetLFactor() * weight;
440 a23 += weight / g4pow->A23(element->GetN << 405 a23 += weight/g4pow->A23(element->GetN());
441 } << 406 }
442 if (norm > 0.0) { norm = 1.0/norm; } << 407 z /= norm;
443 z *= norm; << 408 vF /= norm;
444 vF *= norm; << 409 lF /= norm;
445 lF *= norm; << 410 a23 /= norm;
446 a23 *= norm; << 411 }
447 } << 412 fZeff = z;
448 fZeff = z; << 413 fLfactor = lF;
449 fLfactor = lF; << 414 fFermiEnergy = 25.*keV*vF*vF;
450 fFermiEnergy = 25. * CLHEP::keV * vF * vF; << 415 fInvA23 = a23;
451 fInvA23 = a23; <<
452 } 416 }
453 417
454 //....oooOO0OOooo........oooOO0OOooo........oo 418 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo.... ....oooOO0OOooo....
455 419
456 void G4IonisParamMat::SetMeanExcitationEnergy( 420 void G4IonisParamMat::SetMeanExcitationEnergy(G4double value)
457 { 421 {
458 if (value == fMeanExcitationEnergy || value << 422 if(value == fMeanExcitationEnergy || value <= 0.0) { return; }
459 return; <<
460 } <<
461 if (G4NistManager::Instance()->GetVerbose() 423 if (G4NistManager::Instance()->GetVerbose() > 1) {
462 G4cout << "G4Material: Mean excitation ene << 424 G4cout << "G4Material: Mean excitation energy is changed for "
463 << " Iold= " << fMeanExcitationEner << 425 << fMaterial->GetName()
>> 426 << " Iold= " << fMeanExcitationEnergy/eV
>> 427 << "eV; Inew= " << value/eV << " eV;"
464 << G4endl; 428 << G4endl;
465 } 429 }
466 << 430
467 fMeanExcitationEnergy = value; 431 fMeanExcitationEnergy = value;
468 432
469 // add corrections to density effect 433 // add corrections to density effect
470 G4double newlog = G4Log(value); 434 G4double newlog = G4Log(value);
471 G4double corr = 2 * (newlog - fLogMeanExcEne << 435 G4double corr = 2*(newlog - fLogMeanExcEnergy);
472 fCdensity += corr; << 436 fCdensity += corr;
473 fX0density += corr / twoln10; << 437 fX0density += corr/twoln10;
474 fX1density += corr / twoln10; << 438 fX1density += corr/twoln10;
475 439
476 // recompute parameters of fluctuation model 440 // recompute parameters of fluctuation model
477 fLogMeanExcEnergy = newlog; 441 fLogMeanExcEnergy = newlog;
478 ComputeFluctModel(); 442 ComputeFluctModel();
479 } 443 }
480 444
481 //....oooOO0OOooo........oooOO0OOooo........oo 445 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo.... ....oooOO0OOooo....
482 446
483 void G4IonisParamMat::SetDensityEffectParamete << 447 void G4IonisParamMat::SetDensityEffectParameters(G4double cd, G4double md,
484 G4double cd, G4double md, G4double ad, G4dou << 448 G4double ad, G4double x0,
485 { << 449 G4double x1, G4double d0)
486 // no check on consistence of user parameter << 450 {
487 G4AutoLock l(&ionisMutex); << 451 // no check on consistence of user parameters
488 fCdensity = cd; << 452 #ifdef G4MULTITHREADED
489 fMdensity = md; << 453 G4MUTEXLOCK(&ionisMutex);
490 fAdensity = ad; << 454 #endif
>> 455 fCdensity = cd;
>> 456 fMdensity = md;
>> 457 fAdensity = ad;
491 fX0density = x0; 458 fX0density = x0;
492 fX1density = x1; 459 fX1density = x1;
493 fD0density = d0; 460 fD0density = d0;
494 l.unlock(); << 461 #ifdef G4MULTITHREADED
>> 462 G4MUTEXUNLOCK(&ionisMutex);
>> 463 #endif
495 } 464 }
496 465
497 //....oooOO0OOooo........oooOO0OOooo........oo 466 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo.... ....oooOO0OOooo....
498 467
499 void G4IonisParamMat::SetDensityEffectParamete 468 void G4IonisParamMat::SetDensityEffectParameters(const G4Material* bmat)
500 { 469 {
501 G4AutoLock l(&ionisMutex); << 470 #ifdef G4MULTITHREADED
>> 471 G4MUTEXLOCK(&ionisMutex);
>> 472 #endif
502 const G4IonisParamMat* ipm = bmat->GetIonisa 473 const G4IonisParamMat* ipm = bmat->GetIonisation();
503 fCdensity = ipm->GetCdensity(); << 474 fCdensity = ipm->GetCdensity();
504 fMdensity = ipm->GetMdensity(); << 475 fMdensity = ipm->GetMdensity();
505 fAdensity = ipm->GetAdensity(); << 476 fAdensity = ipm->GetAdensity();
506 fX0density = ipm->GetX0density(); 477 fX0density = ipm->GetX0density();
507 fX1density = ipm->GetX1density(); 478 fX1density = ipm->GetX1density();
508 fD0density = ipm->GetD0density(); 479 fD0density = ipm->GetD0density();
509 480
510 G4double corr = G4Log(bmat->GetDensity() / f << 481 G4double corr = G4Log(bmat->GetDensity()/fMaterial->GetDensity());
511 fCdensity += corr; << 482 fCdensity += corr;
512 fX0density += corr / twoln10; << 483 fX0density += corr/twoln10;
513 fX1density += corr / twoln10; << 484 fX1density += corr/twoln10;
514 l.unlock(); << 485 #ifdef G4MULTITHREADED
515 } << 486 G4MUTEXUNLOCK(&ionisMutex);
516 << 487 #endif
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 } 488 }
538 489
539 //....oooOO0OOooo........oooOO0OOooo........oo 490 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo.... ....oooOO0OOooo....
540 491
541 G4double G4IonisParamMat::FindMeanExcitationEn 492 G4double G4IonisParamMat::FindMeanExcitationEnergy(const G4Material* mat) const
542 { 493 {
543 G4double res = 0.0; 494 G4double res = 0.0;
544 // data from density effect data 495 // data from density effect data
545 if (fDensityData != nullptr) { << 496 if(fDensityData) {
546 G4int idx = fDensityData->GetIndex(mat->Ge 497 G4int idx = fDensityData->GetIndex(mat->GetName());
547 if (idx >= 0) { << 498 if(idx >= 0) {
548 res = fDensityData->GetMeanIonisationPot 499 res = fDensityData->GetMeanIonisationPotential(idx);
549 } 500 }
550 } 501 }
551 502
552 // The data on mean excitation energy for co 503 // The data on mean excitation energy for compaunds
553 // from "Stopping Powers for Electrons and P 504 // from "Stopping Powers for Electrons and Positrons"
554 // ICRU Report N#37, 1984 (energy in eV) 505 // ICRU Report N#37, 1984 (energy in eV)
555 // this value overwrites Density effect data 506 // this value overwrites Density effect data
556 G4String chFormula = mat->GetChemicalFormula 507 G4String chFormula = mat->GetChemicalFormula();
557 if (! chFormula.empty()) { << 508 if(chFormula != "") {
558 static const size_t numberOfMolecula = 54; << 509
559 // clang-format off << 510 static const size_t numberOfMolecula = 54;
560 static const G4String name[numberOfMolecul 511 static const G4String name[numberOfMolecula] = {
561 // gas 0 - 12 512 // gas 0 - 12
562 "NH_3", "C_4H_10", "CO_2", 513 "NH_3", "C_4H_10", "CO_2", "C_2H_6", "C_7H_16-Gas",
563 // "G4_AMMONIA", "G4_BUTANE","G4_CARBON_ 514 // "G4_AMMONIA", "G4_BUTANE","G4_CARBON_DIOXIDE","G4_ETHANE", "G4_N-HEPTANE"
564 "C_6H_14-Gas", "CH_4", "NO", 515 "C_6H_14-Gas", "CH_4", "NO", "N_2O", "C_8H_18-Gas",
565 // "G4_N-HEXANE" , "G4_METHANE", "x", "G 516 // "G4_N-HEXANE" , "G4_METHANE", "x", "G4_NITROUS_OXIDE", "G4_OCTANE"
566 "C_5H_12-Gas", "C_3H_8", "H_2O-Gas", 517 "C_5H_12-Gas", "C_3H_8", "H_2O-Gas",
567 // "G4_N-PENTANE", "G4_PROPANE", "G4_WAT 518 // "G4_N-PENTANE", "G4_PROPANE", "G4_WATER_VAPOR"
568 519
569 // liquid 13 - 39 520 // liquid 13 - 39
570 "C_3H_6O", "C_6H_5NH_2", "C_6H_6", 521 "C_3H_6O", "C_6H_5NH_2", "C_6H_6", "C_4H_9OH", "CCl_4",
571 //"G4_ACETONE","G4_ANILINE","G4_BENZENE" << 522 //"G4_ACETONE","G4_ANILINE","G4_BENZENE","G4_N-BUTYL_ALCOHOL","G4_CARBON_TETRACHLORIDE"
572 "C_6H_5Cl", "CHCl_3", "C_6H_12", 523 "C_6H_5Cl", "CHCl_3", "C_6H_12", "C_6H_4Cl_2", "C_4Cl_2H_8O",
573 //"G4_CHLOROBENZENE","G4_CHLOROFORM","G4 524 //"G4_CHLOROBENZENE","G4_CHLOROFORM","G4_CYCLOHEXANE","G4_1,2-DICHLOROBENZENE",
574 //"G4_DICHLORODIETHYL_ETHER" 525 //"G4_DICHLORODIETHYL_ETHER"
575 "C_2Cl_2H_4", "(C_2H_5)_2O", "C_2H_5OH", 526 "C_2Cl_2H_4", "(C_2H_5)_2O", "C_2H_5OH", "C_3H_5(OH)_3","C_7H_16",
576 //"G4_1,2-DICHLOROETHANE","G4_DIETHYL_ET 527 //"G4_1,2-DICHLOROETHANE","G4_DIETHYL_ETHER","G4_ETHYL_ALCOHOL","G4_GLYCEROL","G4_N-HEPTANE"
577 "C_6H_14", "CH_3OH", "C_6H_5NO_2 528 "C_6H_14", "CH_3OH", "C_6H_5NO_2","C_5H_12", "C_3H_7OH",
578 //"G4_N-HEXANE","G4_METHANOL","G4_NITROB << 529 //"G4_N-HEXANE","G4_METHANOL","G4_NITROBENZENE","G4_N-PENTANE","G4_N-PROPYL_ALCOHOL",
579 "C_5H_5N", "C_8H_8", "C_2Cl_4", 530 "C_5H_5N", "C_8H_8", "C_2Cl_4", "C_7H_8", "C_2Cl_3H",
580 //"G4_PYRIDINE","G4_POLYSTYRENE","G4_TET 531 //"G4_PYRIDINE","G4_POLYSTYRENE","G4_TETRACHLOROETHYLENE","G4_TOLUENE","G4_TRICHLOROETHYLENE"
581 "H_2O", "C_8H_10", 532 "H_2O", "C_8H_10",
582 // "G4_WATER", "G4_XYLENE" 533 // "G4_WATER", "G4_XYLENE"
583 534
584 // solid 40 - 53 535 // solid 40 - 53
585 "C_5H_5N_5", "C_5H_5N_5O", "(C_6H_11NO 536 "C_5H_5N_5", "C_5H_5N_5O", "(C_6H_11NO)-nylon", "C_25H_52",
586 // "G4_ADENINE", "G4_GUANINE", "G4_NYLON 537 // "G4_ADENINE", "G4_GUANINE", "G4_NYLON-6-6", "G4_PARAFFIN"
587 "(C_2H_4)-Polyethylene", "(C_5H_8O_2 538 "(C_2H_4)-Polyethylene", "(C_5H_8O_2)-Polymethil_Methacrylate",
588 // "G4_ETHYLENE", "G4_PLEXIGLASS" 539 // "G4_ETHYLENE", "G4_PLEXIGLASS"
589 "(C_8H_8)-Polystyrene", "A-150-tiss 540 "(C_8H_8)-Polystyrene", "A-150-tissue", "Al_2O_3", "CaF_2",
590 // "G4_POLYSTYRENE", "G4_A-150_TISSUE", 541 // "G4_POLYSTYRENE", "G4_A-150_TISSUE", "G4_ALUMINUM_OXIDE", "G4_CALCIUM_FLUORIDE"
591 "LiF", "Photo_Emulsion", "(C_2F_ 542 "LiF", "Photo_Emulsion", "(C_2F_4)-Teflon", "SiO_2"
592 // "G4_LITHIUM_FLUORIDE", "G4_PHOTO_EMUL 543 // "G4_LITHIUM_FLUORIDE", "G4_PHOTO_EMULSION", "G4_TEFLON", "G4_SILICON_DIOXIDE"
593 } ; 544 } ;
594 << 545
595 static const G4double meanExcitation[numbe 546 static const G4double meanExcitation[numberOfMolecula] = {
596 547
597 53.7, 48.3, 85.0, 45.4, 49.2, 548 53.7, 48.3, 85.0, 45.4, 49.2,
598 49.1, 41.7, 87.8, 84.9, 49.5, 549 49.1, 41.7, 87.8, 84.9, 49.5,
599 48.2, 47.1, 71.6, 550 48.2, 47.1, 71.6,
600 551
601 64.2, 66.2, 63.4, 59.9, 166.3, 552 64.2, 66.2, 63.4, 59.9, 166.3,
602 89.1, 156.0, 56.4, 106.5, 103.3, 553 89.1, 156.0, 56.4, 106.5, 103.3,
603 111.9, 60.0, 62.9, 72.6, 54.4, 554 111.9, 60.0, 62.9, 72.6, 54.4,
604 54.0, 67.6, 75.8, 53.6, 61.1, 555 54.0, 67.6, 75.8, 53.6, 61.1,
605 66.2, 64.0, 159.2, 62.5, 148.1, 556 66.2, 64.0, 159.2, 62.5, 148.1,
606 75.0, 61.8, 557 75.0, 61.8,
607 558
608 71.4, 75.0, 63.9, 48.3, 57.4, 559 71.4, 75.0, 63.9, 48.3, 57.4,
609 74.0, 68.7, 65.1, 145.2, 166., 560 74.0, 68.7, 65.1, 145.2, 166.,
610 94.0, 331.0, 99.1, 139.2 561 94.0, 331.0, 99.1, 139.2
611 }; 562 };
612 // clang-format on <<
613 563
614 for (std::size_t i = 0; i < numberOfMolecu << 564 for(size_t i=0; i<numberOfMolecula; i++) {
615 if (chFormula == name[i]) { << 565 if(chFormula == name[i]) {
616 res = meanExcitation[i] * CLHEP::eV; << 566 res = meanExcitation[i]*eV;
617 break; << 567 break;
618 } 568 }
619 } 569 }
620 } 570 }
621 return res; 571 return res;
622 } 572 }
>> 573
>> 574 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo.... ....oooOO0OOooo....
>> 575
623 576