| Geant4 Cross Reference |
1 //
2 // ********************************************************************
3 // * License and Disclaimer *
4 // * *
5 // * The Geant4 software is copyright of the Copyright Holders of *
6 // * the Geant4 Collaboration. It is provided under the terms and *
7 // * conditions of the Geant4 Software License, included in the file *
8 // * LICENSE and available at http://cern.ch/geant4/license . These *
9 // * include a list of copyright holders. *
10 // * *
11 // * Neither the authors of this software system, nor their employing *
12 // * institutes,nor the agencies providing financial support for this *
13 // * work make any representation or warranty, express or implied, *
14 // * regarding this software system or assume any liability for its *
15 // * use. Please see the license in the file LICENSE and URL above *
16 // * for the full disclaimer and the limitation of liability. *
17 // * *
18 // * This code implementation is the result of the scientific and *
19 // * technical work of the GEANT4 collaboration. *
20 // * By using, copying, modifying or distributing the software (or *
21 // * any work based on the software) you agree to acknowledge its *
22 // * use in resulting scientific publications, and indicate your *
23 // * acceptance of all terms of the Geant4 Software license. *
24 // ********************************************************************
25 //
26 // Author: H. N. Tran (Ton Duc Thang University)
27 // p, H, He, He+ and He++ models are assumed identical
28 // NIMB 343, 132-137 (2015)
29 //
30 // The Geant4-DNA web site is available at http://geant4-dna.org
31 //
32
33 #include "G4DNAIonElasticModel.hh"
34 #include "G4PhysicalConstants.hh"
35 #include "G4SystemOfUnits.hh"
36 #include "G4DNAMolecularMaterial.hh"
37 #include "G4ParticleTable.hh"
38 #include "G4Exp.hh"
39
40 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo....
41
42 using namespace std;
43
44 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo....
45
46 G4DNAIonElasticModel::G4DNAIonElasticModel (const G4ParticleDefinition*,
47 const G4String& nam) :
48 G4VEmModel(nam)
49 {
50 killBelowEnergy = 100 * eV;
51 lowEnergyLimit = 0 * eV;
52 highEnergyLimit = 1 * MeV;
53 SetLowEnergyLimit(lowEnergyLimit);
54 SetHighEnergyLimit(highEnergyLimit);
55
56 verboseLevel = 0;
57 // Verbosity scale:
58 // 0 = nothing
59 // 1 = warning for energy non-conservation
60 // 2 = details of energy budget
61 // 3 = calculation of cross sections, file openings, sampling of atoms
62 // 4 = entering in methods
63
64 if(verboseLevel > 0)
65 {
66 G4cout << "Ion elastic model is constructed " << G4endl<< "Energy range: "
67 << lowEnergyLimit / eV << " eV - "
68 << highEnergyLimit / MeV << " MeV"
69 << G4endl;
70 }
71
72 fParticleChangeForGamma = nullptr;
73 fpMolWaterDensity = nullptr;
74 fpTableData = nullptr;
75 fParticle_Mass = -1;
76
77 // Selection of stationary mode
78
79 statCode = false;
80 }
81
82 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo....
83
84 G4DNAIonElasticModel::~G4DNAIonElasticModel ()
85 {
86 // For total cross section
87 delete fpTableData;
88 }
89
90 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo....
91
92 void
93 G4DNAIonElasticModel::Initialise (
94 const G4ParticleDefinition* particleDefinition,
95 const G4DataVector& /*cuts*/)
96 {
97
98 if(verboseLevel > 3)
99 {
100 G4cout << "Calling G4DNAIonElasticModel::Initialise()" << G4endl;
101 }
102
103 // Energy limits
104
105 if (LowEnergyLimit() < lowEnergyLimit)
106 {
107 G4cout << "G4DNAIonElasticModel: low energy limit increased from " <<
108 LowEnergyLimit()/eV << " eV to " << lowEnergyLimit/eV << " eV" << G4endl;
109 SetLowEnergyLimit(lowEnergyLimit);
110 }
111
112 if (HighEnergyLimit() > highEnergyLimit)
113 {
114 G4cout << "G4DNAIonElasticModel: high energy limit decreased from " <<
115 HighEnergyLimit()/MeV << " MeV to " << highEnergyLimit/MeV << " MeV" << G4endl;
116 SetHighEnergyLimit(highEnergyLimit);
117 }
118
119 // Reading of data files
120
121 G4double scaleFactor = 1e-16*cm*cm;
122
123 const char *path = G4FindDataDir("G4LEDATA");
124
125 if (path == nullptr)
126 {
127 G4Exception("G4IonElasticModel::Initialise","em0006",
128 FatalException,"G4LEDATA environment variable not set.");
129 return;
130 }
131
132 G4String totalXSFile;
133 std::ostringstream fullFileName;
134
135 G4DNAGenericIonsManager *instance;
136 instance = G4DNAGenericIonsManager::Instance();
137 G4ParticleDefinition* protonDef =
138 G4ParticleTable::GetParticleTable()->FindParticle("proton");
139 G4ParticleDefinition* hydrogenDef = instance->GetIon("hydrogen");
140 G4ParticleDefinition* heliumDef = instance->GetIon("helium");
141 G4ParticleDefinition* alphaplusDef = instance->GetIon("alpha+");
142 G4ParticleDefinition* alphaplusplusDef = instance->GetIon("alpha++");
143 G4String proton, hydrogen, helium, alphaplus, alphaplusplus;
144
145 if (
146 (particleDefinition == protonDef && protonDef != nullptr)
147 ||
148 (particleDefinition == hydrogenDef && hydrogenDef != nullptr)
149 )
150 {
151 // For total cross section of p,h
152 fParticle_Mass = 1.;
153 totalXSFile = "dna/sigma_elastic_proton_HTran";
154
155 // For final state
156 fullFileName << path << "/dna/sigmadiff_cumulated_elastic_proton_HTran.dat";
157 }
158
159 if (
160 (particleDefinition == instance->GetIon("helium") && (heliumDef != nullptr))
161 ||
162 (particleDefinition == instance->GetIon("alpha+") && (alphaplusDef != nullptr))
163 ||
164 (particleDefinition == instance->GetIon("alpha++") && (alphaplusplusDef != nullptr))
165 )
166 {
167 // For total cross section of he,he+,he++
168 fParticle_Mass = 4.;
169 totalXSFile = "dna/sigma_elastic_alpha_HTran";
170
171 // For final state
172 fullFileName << path << "/dna/sigmadiff_cumulated_elastic_alpha_HTran.dat";
173 }
174
175 fpTableData = new G4DNACrossSectionDataSet(new G4LogLogInterpolation, eV,scaleFactor );
176 fpTableData->LoadData(totalXSFile);
177 std::ifstream diffCrossSection(fullFileName.str().c_str());
178
179 if (!diffCrossSection)
180 {
181 G4ExceptionDescription description;
182 description << "Missing data file:"
183 <<fullFileName.str().c_str()<< G4endl;
184 G4Exception("G4IonElasticModel::Initialise","em0003",
185 FatalException,
186 description);
187 }
188
189 // Added clear for MT
190
191 eTdummyVec.clear();
192 eVecm.clear();
193 fDiffCrossSectionData.clear();
194
195 //
196
197 eTdummyVec.push_back(0.);
198
199 while(!diffCrossSection.eof())
200 {
201 G4double tDummy;
202 G4double eDummy;
203 diffCrossSection>>tDummy>>eDummy;
204
205 // SI : mandatory eVecm initialization
206
207 if (tDummy != eTdummyVec.back())
208 {
209 eTdummyVec.push_back(tDummy);
210 eVecm[tDummy].push_back(0.);
211 }
212
213 diffCrossSection>>fDiffCrossSectionData[tDummy][eDummy];
214
215 if (eDummy != eVecm[tDummy].back()) eVecm[tDummy].push_back(eDummy);
216
217 }
218
219 // End final state
220 if( verboseLevel>0 )
221 {
222 if (verboseLevel > 2)
223 {
224 G4cout << "Loaded cross section files for ion elastic model" << G4endl;
225 }
226 G4cout << "Ion elastic model is initialized " << G4endl
227 << "Energy range: "
228 << LowEnergyLimit() / eV << " eV - "
229 << HighEnergyLimit() / MeV << " MeV"
230 << G4endl;
231 }
232
233 // Initialize water density pointer
234 G4DNAMolecularMaterial::Instance()->Initialize();
235 fpMolWaterDensity = G4DNAMolecularMaterial::Instance()->
236 GetNumMolPerVolTableFor(G4Material::GetMaterial("G4_WATER"));
237
238 if (isInitialised) return;
239 fParticleChangeForGamma = GetParticleChangeForGamma();
240 isInitialised = true;
241 }
242
243 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo....
244
245 G4double
246 G4DNAIonElasticModel::CrossSectionPerVolume (const G4Material* material,
247 const G4ParticleDefinition* p,
248 G4double ekin, G4double, G4double)
249 {
250 if(verboseLevel > 3)
251 {
252 G4cout << "Calling CrossSectionPerVolume() of G4DNAIonElasticModel"
253 << G4endl;
254 }
255
256 // Calculate total cross section for model
257
258 G4double sigma=0;
259
260 G4double waterDensity = (*fpMolWaterDensity)[material->GetIndex()];
261
262 const G4String& particleName = p->GetParticleName();
263
264 if (ekin <= highEnergyLimit)
265 {
266 //SI : XS must not be zero otherwise sampling of secondaries method ignored
267 if (ekin < killBelowEnergy) return DBL_MAX;
268 //
269
270 if (fpTableData != nullptr)
271 {
272 sigma = fpTableData->FindValue(ekin);
273 }
274 else
275 {
276 G4Exception("G4DNAIonElasticModel::ComputeCrossSectionPerVolume","em0002",
277 FatalException,"Model not applicable to particle type.");
278 }
279 }
280
281 if (verboseLevel > 2)
282 {
283 G4cout << "__________________________________" << G4endl;
284 G4cout << "G4DNAIonElasticModel - XS INFO START" << G4endl;
285 G4cout << "Kinetic energy(eV)=" << ekin/eV << " particle : " << particleName << G4endl;
286 G4cout << "Cross section per water molecule (cm^2)=" << sigma/cm/cm << G4endl;
287 G4cout << "Cross section per water molecule (cm^-1)=" << sigma*waterDensity/(1./cm) << G4endl;
288 G4cout << "G4DNAIonElasticModel - XS INFO END" << G4endl;
289 }
290
291 return sigma*waterDensity;
292 }
293
294 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo....
295
296 void
297 G4DNAIonElasticModel::SampleSecondaries (
298 std::vector<G4DynamicParticle*>* /*fvect*/,
299 const G4MaterialCutsCouple* /*couple*/,
300 const G4DynamicParticle* aDynamicParticle, G4double, G4double)
301 {
302
303 if(verboseLevel > 3)
304 {
305 G4cout << "Calling SampleSecondaries() of G4DNAIonElasticModel" << G4endl;
306 }
307
308 G4double particleEnergy0 = aDynamicParticle->GetKineticEnergy();
309
310 if (particleEnergy0 < killBelowEnergy)
311 {
312 fParticleChangeForGamma->SetProposedKineticEnergy(0.);
313 fParticleChangeForGamma->ProposeTrackStatus(fStopAndKill);
314 fParticleChangeForGamma->ProposeLocalEnergyDeposit(particleEnergy0);
315 return;
316 }
317
318 if (particleEnergy0>= killBelowEnergy && particleEnergy0 <= highEnergyLimit)
319 {
320 G4double water_mass = 18.;
321
322 G4double thetaCM = RandomizeThetaCM(particleEnergy0, aDynamicParticle->GetDefinition());
323
324 //HT:convert to laboratory system
325
326 G4double theta = std::atan(std::sin(thetaCM*CLHEP::pi/180)
327 /(fParticle_Mass/water_mass+std::cos(thetaCM*CLHEP::pi/180)));
328
329 G4double cosTheta= std::cos(theta);
330
331 //
332
333 G4double phi = 2. * CLHEP::pi * G4UniformRand();
334
335 G4ThreeVector zVers = aDynamicParticle->GetMomentumDirection();
336 G4ThreeVector xVers = zVers.orthogonal();
337 G4ThreeVector yVers = zVers.cross(xVers);
338
339 G4double xDir = std::sqrt(1. - cosTheta*cosTheta);
340 G4double yDir = xDir;
341 xDir *= std::cos(phi);
342 yDir *= std::sin(phi);
343
344 G4ThreeVector zPrimeVers((xDir*xVers + yDir*yVers + cosTheta*zVers));
345
346 fParticleChangeForGamma->ProposeMomentumDirection(zPrimeVers.unit());
347
348 G4double depositEnergyCM = 0;
349
350 //HT: deposited energy
351 depositEnergyCM = 4. * particleEnergy0 * fParticle_Mass * water_mass *
352 (1-std::cos(thetaCM*CLHEP::pi/180))
353 / (2 * std::pow((fParticle_Mass+water_mass),2));
354
355 //SI: added protection particleEnergy0 >= depositEnergyCM
356 if (!statCode && (particleEnergy0 >= depositEnergyCM) )
357
358 fParticleChangeForGamma->SetProposedKineticEnergy(particleEnergy0 - depositEnergyCM);
359
360 else fParticleChangeForGamma->SetProposedKineticEnergy(particleEnergy0);
361
362 fParticleChangeForGamma->ProposeLocalEnergyDeposit(depositEnergyCM);
363 }
364 }
365
366 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo....
367
368 G4double
369 G4DNAIonElasticModel::Theta (G4ParticleDefinition * /*particleDefinition*/,
370 G4double k, G4double integrDiff)
371 {
372 G4double theta = 0.;
373 G4double valueT1 = 0;
374 G4double valueT2 = 0;
375 G4double valueE21 = 0;
376 G4double valueE22 = 0;
377 G4double valueE12 = 0;
378 G4double valueE11 = 0;
379 G4double xs11 = 0;
380 G4double xs12 = 0;
381 G4double xs21 = 0;
382 G4double xs22 = 0;
383
384 // Protection against out of boundary access
385 if (k==eTdummyVec.back()) k=k*(1.-1e-12);
386 //
387
388 auto t2 = std::upper_bound(eTdummyVec.begin(),
389 eTdummyVec.end(), k);
390 auto t1 = t2 - 1;
391
392 auto e12 = std::upper_bound(eVecm[(*t1)].begin(),
393 eVecm[(*t1)].end(),
394 integrDiff);
395 auto e11 = e12 - 1;
396
397 auto e22 = std::upper_bound(eVecm[(*t2)].begin(),
398 eVecm[(*t2)].end(),
399 integrDiff);
400 auto e21 = e22 - 1;
401
402 valueT1 = *t1;
403 valueT2 = *t2;
404 valueE21 = *e21;
405 valueE22 = *e22;
406 valueE12 = *e12;
407 valueE11 = *e11;
408
409 xs11 = fDiffCrossSectionData[valueT1][valueE11];
410 xs12 = fDiffCrossSectionData[valueT1][valueE12];
411 xs21 = fDiffCrossSectionData[valueT2][valueE21];
412 xs22 = fDiffCrossSectionData[valueT2][valueE22];
413
414 if(xs11 == 0 && xs12 == 0 && xs21 == 0 && xs22 == 0) return (0.);
415
416 theta = QuadInterpolator(valueE11, valueE12, valueE21, valueE22, xs11, xs12,
417 xs21, xs22, valueT1, valueT2, k, integrDiff);
418
419 return theta;
420 }
421
422 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo....
423
424 G4double
425 G4DNAIonElasticModel::LinLinInterpolate (G4double e1, G4double e2, G4double e,
426 G4double xs1, G4double xs2)
427 {
428 G4double d1 = xs1;
429 G4double d2 = xs2;
430 G4double value = (d1 + (d2 - d1) * (e - e1) / (e2 - e1));
431 return value;
432 }
433
434 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo....
435
436 G4double
437 G4DNAIonElasticModel::LinLogInterpolate (G4double e1, G4double e2, G4double e,
438 G4double xs1, G4double xs2)
439 {
440 G4double d1 = std::log(xs1);
441 G4double d2 = std::log(xs2);
442 G4double value = G4Exp(d1 + (d2 - d1) * (e - e1) / (e2 - e1));
443 return value;
444 }
445
446 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo....
447
448 G4double
449 G4DNAIonElasticModel::LogLogInterpolate (G4double e1, G4double e2, G4double e,
450 G4double xs1, G4double xs2)
451 {
452 G4double a = (std::log10(xs2) - std::log10(xs1))
453 / (std::log10(e2) - std::log10(e1));
454 G4double b = std::log10(xs2) - a * std::log10(e2);
455 G4double sigma = a * std::log10(e) + b;
456 G4double value = (std::pow(10., sigma));
457 return value;
458 }
459
460 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo....
461
462 G4double
463 G4DNAIonElasticModel::QuadInterpolator (G4double e11, G4double e12,
464 G4double e21, G4double e22,
465 G4double xs11, G4double xs12,
466 G4double xs21, G4double xs22,
467 G4double t1, G4double t2, G4double t,
468 G4double e)
469 {
470 // Log-Log
471 /*
472 G4double interpolatedvalue1 = LogLogInterpolate(e11, e12, e, xs11, xs12);
473 G4double interpolatedvalue2 = LogLogInterpolate(e21, e22, e, xs21, xs22);
474 G4double value = LogLogInterpolate(t1, t2, t, interpolatedvalue1, interpolatedvalue2);
475 */
476
477 // Lin-Log
478 /*
479 G4double interpolatedvalue1 = LinLogInterpolate(e11, e12, e, xs11, xs12);
480 G4double interpolatedvalue2 = LinLogInterpolate(e21, e22, e, xs21, xs22);
481 G4double value = LinLogInterpolate(t1, t2, t, interpolatedvalue1, interpolatedvalue2);
482 */
483
484 // Lin-Lin
485 G4double interpolatedvalue1 = LinLinInterpolate(e11, e12, e, xs11, xs12);
486 G4double interpolatedvalue2 = LinLinInterpolate(e21, e22, e, xs21, xs22);
487 G4double value = LinLinInterpolate(t1, t2, t, interpolatedvalue1,
488 interpolatedvalue2);
489
490 return value;
491 }
492
493 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo....
494
495 G4double
496 G4DNAIonElasticModel::RandomizeThetaCM (
497 G4double k, G4ParticleDefinition * particleDefinition)
498 {
499 G4double integrdiff = G4UniformRand();
500 return Theta(particleDefinition, k / eV, integrdiff);
501 }
502
503 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo....
504
505 void
506 G4DNAIonElasticModel::SetKillBelowThreshold (G4double threshold)
507 {
508 killBelowEnergy = threshold;
509
510 if(killBelowEnergy < 100 * eV)
511 {
512 G4cout << "*** WARNING : the G4DNAIonElasticModel class is not "
513 "activated below 100 eV !"
514 << G4endl;
515 }
516 }
517
518