Geant4 11.1.1
Toolkit for the simulation of the passage of particles through matter
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G4DNACPA100ElasticModel.cc
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1//
2// ********************************************************************
3// * License and Disclaimer *
4// * *
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6// * the Geant4 Collaboration. It is provided under the terms and *
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24// ********************************************************************
25//
26// CPA100 elastic model class for electrons
27//
28// Based on the work of M. Terrissol and M. C. Bordage
29//
30// Users are requested to cite the following papers:
31// - M. Terrissol, A. Baudre, Radiat. Prot. Dosim. 31 (1990) 175-177
32// - M.C. Bordage, J. Bordes, S. Edel, M. Terrissol, X. Franceries,
33// M. Bardies, N. Lampe, S. Incerti, Phys. Med. 32 (2016) 1833-1840
34//
35// Authors of this class:
36// M.C. Bordage, M. Terrissol, S. Edel, J. Bordes, S. Incerti
37//
38// 15.01.2014: creation
39//
40
43#include "G4SystemOfUnits.hh"
45
46//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo....
47
48using namespace std;
49
50// #define CPA100_VERBOSE
51
52//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo....
53
55 const G4String& nam)
56:G4VEmModel(nam),isInitialised(false)
57{
58
59 SetLowEnergyLimit(11*eV);
60 SetHighEnergyLimit(255955*eV);
61
62 verboseLevel= 0;
63 // Verbosity scale:
64 // 0 = nothing
65 // 1 = warning for energy non-conservation
66 // 2 = details of energy budget
67 // 3 = calculation of cross sections, file openings, sampling of atoms
68 // 4 = entering in methods
69
70#ifdef UEHARA_VERBOSE
71 if( verboseLevel>0 )
72 {
73 G4cout << "CPA100 Elastic model is constructed " << G4endl
74 << "Energy range: "
75 << LowEnergyLimit()/eV << " eV - "
76 << HighEnergyLimit()/ keV << " keV"
77 << G4endl;
78 }
79#endif
80
82 fpMolWaterDensity = 0;
83
84 // Selection of stationary mode
85
86 statCode = false;
87}
88
89//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo....
90
92{
93 // For total cross section
94
95 std::map< G4String,G4DNACrossSectionDataSet*,std::less<G4String> >::iterator pos;
96 for (pos = tableData.begin(); pos != tableData.end(); ++pos)
97 {
98 G4DNACrossSectionDataSet* table = pos->second;
99 delete table;
100 }
101
102 // For final state
103 eVecm.clear();
104
105}
106
107//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo....
108
110 particle,
111 const G4DataVector& /*cuts*/)
112{
113
114#ifdef UEHARA_VERBOSE
115 if (verboseLevel > 3)
116 G4cout << "Calling G4DNACPA100ElasticModel::Initialise()" << G4endl;
117#endif
118
119 if(particle->GetParticleName() != "e-")
120 {
121 G4Exception("*** WARNING: the G4DNACPA100ElasticModel is "
122 "not intented to be used with another particle than the electron",
123 "",FatalException,"") ;
124 }
125
126 // Energy limits
127
128 if (LowEnergyLimit() < 11.*eV)
129 {
130 G4cout << "G4DNACPA100ElasticModel: low energy limit increased from " <<
131 LowEnergyLimit()/eV << " eV to " << 11 << " eV" << G4endl;
132 SetLowEnergyLimit(11.*eV);
133 }
134
135 if (HighEnergyLimit() > 255955.*eV)
136 {
137 G4cout << "G4DNACPA100ElasticModel: high energy limit decreased from " <<
138 HighEnergyLimit()/keV << " keV to " << 255.955 << " keV"
139 << G4endl;
140 SetHighEnergyLimit(255955.*eV);
141 }
142
143 // Reading of data files
144
145 G4double scaleFactor = 1e-20*m*m;
146
147 G4String fileElectron("dna/sigma_elastic_e_cpa100");
148
150 G4String electron;
151
152 // *** ELECTRON
153
154 // For total cross section
155
156 electron = electronDef->GetParticleName();
157
158 tableFile[electron] = fileElectron;
159
160 G4DNACrossSectionDataSet* tableE =
162 eV,scaleFactor );
163
164 /*
165 G4DNACrossSectionDataSet* tableE =
166 new G4DNACrossSectionDataSet(new G4DNACPA100LogLogInterpolation,
167 eV,scaleFactor );
168 */
169
170 tableE->LoadData(fileElectron);
171
172 tableData[electron] = tableE;
173
174 // For final state
175
176 const char *path = G4FindDataDir("G4LEDATA");
177
178 if (!path)
179 {
180 G4Exception("G4DNACPA100ElasticModel::Initialise","em0006",
181 FatalException,"G4LEDATA environment variable not set.");
182 return;
183 }
184
185 std::ostringstream eFullFileName;
186
187 eFullFileName << path
188 << "/dna/sigmadiff_cumulated_elastic_e_cpa100.dat";
189
190 std::ifstream eDiffCrossSection(eFullFileName.str().c_str());
191
192 if (!eDiffCrossSection)
193 G4Exception("G4DNACPA100ElasticModel::Initialise","em0003",
195 "Missing data file:/dna/sigmadiff_cumulated_elastic_e_cpa100.dat");
196
197 // March 25th, 2014 - Vaclav Stepan, Sebastien Incerti
198 // Added clear for MT
199
200 eTdummyVec.clear();
201 eVecm.clear();
202 eDiffCrossSectionData.clear();
203
204 //
205
206 eTdummyVec.push_back(0.);
207
208 while(!eDiffCrossSection.eof())
209 {
210 G4double tDummy;
211 G4double eDummy;
212 eDiffCrossSection>>tDummy>>eDummy;
213
214 // SI : mandatory eVecm initialization
215
216 if (tDummy != eTdummyVec.back())
217 {
218 eTdummyVec.push_back(tDummy);
219 eVecm[tDummy].push_back(0.);
220 }
221
222 eDiffCrossSection>>eDiffCrossSectionData[tDummy][eDummy];
223
224 if (eDummy != eVecm[tDummy].back()) eVecm[tDummy].push_back(eDummy);
225 }
226
227 // End final state
228
229#ifdef UEHARA_VERBOSE
230 if (verboseLevel > 2)
231 G4cout << "Loaded cross section files for CPA100 Elastic model" << G4endl;
232#endif
233
234#ifdef UEHARA_VERBOSE
235 if( verboseLevel>0 )
236 {
237 G4cout << "CPA100 Elastic model is initialized " << G4endl
238 << "Energy range: "
239 << LowEnergyLimit() / eV << " eV - "
240 << HighEnergyLimit() / keV << " keV"
241 << G4endl;
242 }
243#endif
244
245 // Initialize water density pointer
246 fpMolWaterDensity = G4DNAMolecularMaterial::Instance()
248
249 if (isInitialised) { return; }
251 isInitialised = true;
252
253}
254
255//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo....
256
258(const G4Material* material,
259 const G4ParticleDefinition* p,
260 G4double ekin,
261 G4double,
262 G4double)
263{
264
265#ifdef UEHARA_VERBOSE
266 if (verboseLevel > 3)
267 G4cout <<
268 "Calling CrossSectionPerVolume() of G4DNACPA100ElasticModel" << G4endl;
269#endif
270
271 // Calculate total cross section for model
272
273 G4double sigma=0;
274
275 G4double waterDensity = (*fpMolWaterDensity)[material->GetIndex()];
276
277 const G4String& particleName = p->GetParticleName();
278
279 if (ekin <= HighEnergyLimit() && ekin >= LowEnergyLimit())
280 {
281 //SI : XS must not be zero otherwise sampling of secondaries
282 // method ignored
283
284 std::map< G4String,G4DNACrossSectionDataSet*,std::less<G4String> >::iterator pos;
285 pos = tableData.find(particleName);
286
287 if (pos != tableData.end())
288 {
289 G4DNACrossSectionDataSet* table = pos->second;
290 if (table != 0)
291 {
292 sigma = table->FindValue(ekin);
293 //
294 //Dump in non-MT mode
295 //
296 /*
297 G4double minEnergy = 10.481 * eV;
298 G4double maxEnergy = 255955. * eV;
299 G4int nEnergySteps = 1000;
300 G4double energy(minEnergy);
301 G4double
302 stpEnergy(std::pow(maxEnergy/energy,
303 1./static_cast<G4double>(nEnergySteps-1)));
304 G4int step(nEnergySteps);
305 system ("rm -rf elastic-cpa100.out");
306 FILE* myFile=fopen("elastic-cpa100.out","a");
307 while (step>0)
308 {
309 step--;
310 fprintf (myFile,"%16.9le %16.9le\n",
311 energy/eV,
312 table->FindValue(energy)/(1e-20*m*m));
313 energy*=stpEnergy;
314 }
315 fclose (myFile);
316 abort();
317 */
318 //
319 // end of dump
320 //
321 }
322 }
323 else
324 {
325 G4Exception("G4DNACPA100ElasticModel::ComputeCrossSectionPerVolume",
326 "em0002",
327 FatalException,"Model not applicable to particle type.");
328 }
329 }
330
331#ifdef UEHARA_VERBOSE
332 if (verboseLevel > 2)
333 {
334 G4cout << "__________________________________" << G4endl;
335 G4cout << "G4DNACPA100ElasticModel - XS INFO START" << G4endl;
336 G4cout << "Kinetic energy(eV)=" << ekin/eV << " particle : " << particleName << G4endl;
337 G4cout << "Cross section per water molecule (cm^2)=" << sigma/cm/cm << G4endl;
338 G4cout << "Cross section per water molecule (cm^-1)=" << sigma*waterDensity/(1./cm) << G4endl;
339 // G4cout << " - Cross section per water molecule (cm^-1)="
340 // << sigma*material->GetAtomicNumDensityVector()[1]/(1./cm) << G4endl;
341 G4cout << "G4DNACPA100ElasticModel - XS INFO END" << G4endl;
342 }
343#endif
344
345 return sigma*waterDensity;
346}
347
348//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo....
349
350void G4DNACPA100ElasticModel::SampleSecondaries(std::vector<G4DynamicParticle*>* /*fvect*/,
351 const G4MaterialCutsCouple* /*couple*/,
352 const G4DynamicParticle* aDynamicElectron,
353 G4double,
354 G4double)
355{
356#ifdef UEHARA_VERBOSE
357 if (verboseLevel > 3)
358 G4cout << "Calling SampleSecondaries() of G4DNACPA100ElasticModel" << G4endl;
359#endif
360
361 G4double electronEnergy0 = aDynamicElectron->GetKineticEnergy();
362
363 G4double cosTheta = RandomizeCosTheta(electronEnergy0);
364 G4double phi = 2. * pi * G4UniformRand();
365
366 G4ThreeVector zVers = aDynamicElectron->GetMomentumDirection();
367
368 //G4ThreeVector xVers = zVers.orthogonal();
369 //G4ThreeVector yVers = zVers.cross(xVers);
370 //G4double xDir = std::sqrt(1. - cosTheta*cosTheta);
371 //G4double yDir = xDir;
372 //xDir *= std::cos(phi);
373 //yDir *= std::sin(phi);
374
375 // Computation of scattering angles (from Subroutine DIRAN in CPA100)
376
377 G4double CT1, ST1, CF1, SF1, CT2, ST2, CF2, SF2;
378 G4double sinTheta = std::sqrt (1-cosTheta*cosTheta);
379
380 CT1=0;
381 ST1=0;
382 CF1=0;
383 SF1=0;
384 CT2=0;
385 ST2=0;
386 CF2=0;
387 SF2=0;
388
389 CT1 = zVers.z();
390 ST1=std::sqrt(1.-CT1*CT1);
391
392 if (ST1!=0) CF1 = zVers.x()/ST1; else CF1 = std::cos(2. * pi * G4UniformRand());
393 if (ST1!=0) SF1 = zVers.y()/ST1; else SF1 = std::sqrt(1.-CF1*CF1);
394
395 G4double A3, A4, A5, A2, A1;
396 A3=0;
397 A4=0;
398 A5=0;
399 A2=0;
400 A1=0;
401
402 A3 = sinTheta*std::cos(phi);
403 A4 = A3*CT1 + ST1*cosTheta;
404 A5 = sinTheta * std::sin(phi);
405 A2 = A4 * SF1 + A5 * CF1;
406 A1 = A4 * CF1 - A5 * SF1;
407
408 CT2 = CT1*cosTheta - ST1*A3;
409 ST2 = std::sqrt(1.-CT2*CT2);
410
411 if (ST2==0) ST2=1E-6;
412 CF2 = A1/ST2;
413 SF2 = A2/ST2;
414
415 /*
416 G4cout << "CT1=" << CT1 << G4endl;
417 G4cout << "ST1=" << ST1 << G4endl;
418 G4cout << "CF1=" << CF1 << G4endl;
419 G4cout << "SF1=" << SF1 << G4endl;
420 G4cout << "cosTheta=" << cosTheta << G4endl;
421 G4cout << "sinTheta=" << sinTheta << G4endl;
422 G4cout << "cosPhi=" << std::cos(phi) << G4endl;
423 G4cout << "sinPhi=" << std::sin(phi) << G4endl;
424 G4cout << "CT2=" << CT2 << G4endl;
425 G4cout << "ST2=" << ST2 << G4endl;
426 G4cout << "CF2=" << CF2 << G4endl;
427 G4cout << "SF2=" << SF2 << G4endl;
428 */
429
430 G4ThreeVector zPrimeVers(ST2*CF2,ST2*SF2,CT2);
431
432 //
433
435
436 if (!statCode)
437
439 (electronEnergy0-1.214E-4*(1.-cosTheta)*electronEnergy0);
440
442
443 //
444
445 fParticleChangeForGamma->ProposeLocalEnergyDeposit(1.214E-4*(1.-cosTheta)*electronEnergy0);
446
447}
448
449//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo....
450
451G4double G4DNACPA100ElasticModel::Theta
452 (G4ParticleDefinition *, G4double k, G4double integrDiff)
453{
454
455 G4double theta = 0.;
456 G4double valueT1 = 0;
457 G4double valueT2 = 0;
458 G4double valueE21 = 0;
459 G4double valueE22 = 0;
460 G4double valueE12 = 0;
461 G4double valueE11 = 0;
462 G4double xs11 = 0;
463 G4double xs12 = 0;
464 G4double xs21 = 0;
465 G4double xs22 = 0;
466
467 // Protection against out of boundary access
468 if (k==eTdummyVec.back()) k=k*(1.-1e-12);
469 //
470
471 std::vector<G4double>::iterator t2 = std::upper_bound(eTdummyVec.begin(),eTdummyVec.end(), k);
472 std::vector<G4double>::iterator t1 = t2-1;
473
474 std::vector<G4double>::iterator e12 = std::upper_bound(eVecm[(*t1)].begin(),eVecm[(*t1)].end(),
475 integrDiff);
476 std::vector<G4double>::iterator e11 = e12-1;
477
478 std::vector<G4double>::iterator e22 = std::upper_bound(eVecm[(*t2)].begin(),eVecm[(*t2)].end(),
479 integrDiff);
480 std::vector<G4double>::iterator e21 = e22-1;
481
482 valueT1 =*t1;
483 valueT2 =*t2;
484 valueE21 =*e21;
485 valueE22 =*e22;
486 valueE12 =*e12;
487 valueE11 =*e11;
488
489 xs11 = eDiffCrossSectionData[valueT1][valueE11];
490 xs12 = eDiffCrossSectionData[valueT1][valueE12];
491 xs21 = eDiffCrossSectionData[valueT2][valueE21];
492 xs22 = eDiffCrossSectionData[valueT2][valueE22];
493
494 //TEST CPA100
495 //if(k==valueT1) xs22 = eDiffCrossSectionData[valueT1][valueE12];
496
497 if (xs11==0 && xs12==0 && xs21==0 && xs22==0) return (0.);
498
499 theta = QuadInterpolator(
500 valueE11, valueE12,
501 valueE21, valueE22,
502 xs11, xs12,
503 xs21, xs22,
504 valueT1, valueT2,
505 k, integrDiff);
506
507 return theta;
508
509 //TEST CPA100
510 //return xs22;
511}
512
513//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo....
514
515G4double G4DNACPA100ElasticModel::LinLogInterpolate(G4double e1,
516 G4double e2,
517 G4double e,
518 G4double xs1,
519 G4double xs2)
520{
521 G4double d1 = std::log(xs1);
522 G4double d2 = std::log(xs2);
523 G4double value = std::exp(d1 + (d2 - d1)*(e - e1)/ (e2 - e1));
524 return value;
525}
526
527//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo....
528
529G4double G4DNACPA100ElasticModel::LinLinInterpolate(G4double e1,
530 G4double e2,
531 G4double e,
532 G4double xs1,
533 G4double xs2)
534{
535 G4double d1 = xs1;
536 G4double d2 = xs2;
537 G4double value = (d1 + (d2 - d1)*(e - e1)/ (e2 - e1));
538 return value;
539}
540
541//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo....
542
543G4double G4DNACPA100ElasticModel::LogLogInterpolate(G4double e1,
544 G4double e2,
545 G4double e,
546 G4double xs1,
547 G4double xs2)
548{
549 G4double a = (std::log10(xs2)-std::log10(xs1)) / (std::log10(e2)-std::log10(e1));
550 G4double b = std::log10(xs2) - a*std::log10(e2);
551 G4double sigma = a*std::log10(e) + b;
552 G4double value = (std::pow(10.,sigma));
553 return value;
554}
555
556//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo....
557
558
559G4double G4DNACPA100ElasticModel::QuadInterpolator(G4double e11, G4double e12,
560 G4double e21, G4double e22,
561 G4double xs11, G4double xs12,
562 G4double xs21, G4double xs22,
563 G4double t1, G4double t2,
564 G4double t, G4double e)
565{
566 // Log-Log
567/*
568 G4double interpolatedvalue1 = LogLogInterpolate(e11, e12, e, xs11, xs12);
569 G4double interpolatedvalue2 = LogLogInterpolate(e21, e22, e, xs21, xs22);
570 G4double value = LogLogInterpolate(t1, t2, t, interpolatedvalue1, interpolatedvalue2);
571
572
573 // Lin-Log
574 G4double interpolatedvalue1 = LinLogInterpolate(e11, e12, e, xs11, xs12);
575 G4double interpolatedvalue2 = LinLogInterpolate(e21, e22, e, xs21, xs22);
576 G4double value = LinLogInterpolate(t1, t2, t, interpolatedvalue1, interpolatedvalue2);
577*/
578
579 // Lin-Lin
580 G4double interpolatedvalue1 = LinLinInterpolate(e11, e12, e, xs11, xs12);
581 G4double interpolatedvalue2 = LinLinInterpolate(e21, e22, e, xs21, xs22);
582 G4double value = LinLinInterpolate(t1, t2, t, interpolatedvalue1, interpolatedvalue2);
583
584 return value;
585}
586
587//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo....
588
589G4double G4DNACPA100ElasticModel::RandomizeCosTheta(G4double k)
590{
591
592 G4double integrdiff=0; // PROBABILITY between 0 and 1.
593 G4double uniformRand=G4UniformRand();
594 integrdiff = uniformRand;
595
596 G4double cosTheta=0.;
597
598 // 1 - COS THETA is read from the data file
599 cosTheta = 1 - Theta(G4Electron::ElectronDefinition(),k/eV,integrdiff);
600
601 //
602 //
603 //Dump
604 //
605 //G4cout << "theta=" << theta << G4endl;
606 //G4cout << "cos theta=" << std::cos(theta*pi/180) << G4endl;
607 //G4cout << "sin theta=" << std::sin(theta*pi/180) << G4endl;
608 //G4cout << "acos(cos theta)=" << std::acos(cosTheta) << G4endl;
609 //G4cout << "cos theta="<< cosTheta << G4endl;
610 //G4cout << "1 - cos theta="<< 1. - cosTheta << G4endl;
611 //G4cout << "sin theta=" << std::sqrt(1-cosTheta*cosTheta) << G4endl;
612 //
613 /*
614 G4double minProb = 0; // we scan probability between 0 and one
615 G4double maxProb = 1;
616 G4int nProbSteps = 100;
617 G4double prob(minProb);
618 G4double stepProb((maxProb-minProb)/static_cast<G4double>(nProbSteps));
619 G4int step(nProbSteps);
620 system ("rm -rf elastic-cumul-cpa100-100keV.out");
621 FILE* myFile=fopen("elastic-cumul-cpa100-100keV.out","a");
622 while (step>=0)
623 {
624 step--;
625 fprintf (myFile,"%16.9le %16.9le\n",
626 prob,
627 Theta(G4Electron::ElectronDefinition(),100000,prob)); // SELECT NRJ IN eV !!!
628 prob=prob+stepProb;
629 }
630 fclose (myFile);
631 abort();
632 */
633 //
634 // end of dump
635 //
636
637 return cosTheta;
638}
const char * G4FindDataDir(const char *)
@ FatalException
void G4Exception(const char *originOfException, const char *exceptionCode, G4ExceptionSeverity severity, const char *description)
Definition: G4Exception.cc:59
double G4double
Definition: G4Types.hh:83
#define G4endl
Definition: G4ios.hh:57
G4GLOB_DLL std::ostream G4cout
#define G4UniformRand()
Definition: Randomize.hh:52
double z() const
Hep3Vector unit() const
double x() const
double y() const
G4ParticleChangeForGamma * fParticleChangeForGamma
virtual G4double CrossSectionPerVolume(const G4Material *material, const G4ParticleDefinition *p, G4double ekin, G4double emin, G4double emax)
virtual void Initialise(const G4ParticleDefinition *, const G4DataVector &)
virtual void SampleSecondaries(std::vector< G4DynamicParticle * > *, const G4MaterialCutsCouple *, const G4DynamicParticle *, G4double tmin, G4double maxEnergy)
G4DNACPA100ElasticModel(const G4ParticleDefinition *p=0, const G4String &nam="DNACPA100ElasticModel")
virtual G4double FindValue(G4double e, G4int componentId=0) const
virtual G4bool LoadData(const G4String &argFileName)
const std::vector< G4double > * GetNumMolPerVolTableFor(const G4Material *) const
Retrieve a table of molecular densities (number of molecules per unit volume) in the G4 unit system f...
static G4DNAMolecularMaterial * Instance()
const G4ThreeVector & GetMomentumDirection() const
G4double GetKineticEnergy() const
static G4Electron * ElectronDefinition()
Definition: G4Electron.cc:88
size_t GetIndex() const
Definition: G4Material.hh:255
static G4Material * GetMaterial(const G4String &name, G4bool warning=true)
Definition: G4Material.cc:691
void SetProposedKineticEnergy(G4double proposedKinEnergy)
void ProposeMomentumDirection(const G4ThreeVector &Pfinal)
const G4String & GetParticleName() const
void SetHighEnergyLimit(G4double)
Definition: G4VEmModel.hh:746
G4ParticleChangeForGamma * GetParticleChangeForGamma()
Definition: G4VEmModel.cc:124
G4double LowEnergyLimit() const
Definition: G4VEmModel.hh:641
G4double HighEnergyLimit() const
Definition: G4VEmModel.hh:634
void SetLowEnergyLimit(G4double)
Definition: G4VEmModel.hh:753
void ProposeLocalEnergyDeposit(G4double anEnergyPart)