Geant4 11.3.0
Toolkit for the simulation of the passage of particles through matter
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G4DNARuddIonisationExtendedModel.cc
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25//
26//
27// Modified by Z. Francis, S. Incerti to handle HZE
28// && inverse rudd function sampling 26-10-2010
29//
30// Rewitten by V.Ivanchenko 21.05.2023
31//
32
33#include "G4EmCorrections.hh"
34#include "G4DNARuddIonisationExtendedModel.hh"
35#include "G4PhysicalConstants.hh"
36#include "G4SystemOfUnits.hh"
37#include "G4UAtomicDeexcitation.hh"
38#include "G4LossTableManager.hh"
39#include "G4NistManager.hh"
40#include "G4DNAChemistryManager.hh"
41#include "G4DNAMolecularMaterial.hh"
42
43#include "G4IonTable.hh"
44#include "G4DNARuddAngle.hh"
45#include "G4DeltaAngle.hh"
46#include "G4Exp.hh"
47#include "G4Log.hh"
48#include "G4Pow.hh"
49#include "G4Alpha.hh"
50#include "G4Proton.hh"
51
52//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo....
53
54G4DNACrossSectionDataSet* G4DNARuddIonisationExtendedModel::xsdata[] = {nullptr};
55G4DNACrossSectionDataSet* G4DNARuddIonisationExtendedModel::xshelium = nullptr;
56G4DNACrossSectionDataSet* G4DNARuddIonisationExtendedModel::xsalphaplus = nullptr;
57const std::vector<G4double>* G4DNARuddIonisationExtendedModel::fpWaterDensity = nullptr;
58
59namespace
60{
61 const G4double scaleFactor = CLHEP::m*CLHEP::m;
62 const G4double tolerance = 1*CLHEP::eV;
63 const G4double Ry = 13.6*CLHEP::eV;
64
65 // Following values provided by M. Dingfelder (priv. comm)
66 const G4double Bj[5] = {12.60*CLHEP::eV, 14.70*CLHEP::eV, 18.40*CLHEP::eV,
67 32.20*CLHEP::eV, 539*CLHEP::eV};
68}
69
70//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo....
71
72G4DNARuddIonisationExtendedModel::G4DNARuddIonisationExtendedModel(const G4ParticleDefinition*,
73 const G4String& nam)
74 : G4VEmModel(nam)
75{
76 fEmCorrections = G4LossTableManager::Instance()->EmCorrections();
77 fGpow = G4Pow::GetInstance();
78 fLowestEnergy = 100*CLHEP::eV;
79 fLimitEnergy = 1*CLHEP::keV;
80
81 // Mark this model as "applicable" for atomic deexcitation
82 SetDeexcitationFlag(true);
83
84 // Define default angular generator
85 SetAngularDistribution(new G4DNARuddAngle());
86
87 if (nullptr == xshelium) { LoadData(); }
88}
89
90//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo....
91
92G4DNARuddIonisationExtendedModel::~G4DNARuddIonisationExtendedModel()
93{
94 if(isFirst) {
95 for(auto & i : xsdata) { delete i; }
96 }
97}
98
99//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo....
100
101void G4DNARuddIonisationExtendedModel::LoadData()
102{
103 // initialisation of static data once
104 isFirst = true;
105 G4String filename("dna/sigma_ionisation_h_rudd");
106 xsdata[0] = new G4DNACrossSectionDataSet(new G4LogLogInterpolation, CLHEP::eV, scaleFactor);
107 xsdata[0]->LoadData(filename);
108
109 filename = "dna/sigma_ionisation_p_rudd";
110 xsdata[1] = new G4DNACrossSectionDataSet(new G4LogLogInterpolation, CLHEP::eV, scaleFactor);
111 xsdata[1]->LoadData(filename);
112
113 filename = "dna/sigma_ionisation_alphaplusplus_rudd";
114 xsdata[2] = new G4DNACrossSectionDataSet(new G4LogLogInterpolation, CLHEP::eV, scaleFactor);
115 xsdata[2]->LoadData(filename);
116
117 filename = "dna/sigma_ionisation_li_rudd";
118 xsdata[3] = new G4DNACrossSectionDataSet(new G4LogLogInterpolation, CLHEP::eV, scaleFactor);
119 xsdata[3]->LoadData(filename);
120
121 filename = "dna/sigma_ionisation_be_rudd";
122 xsdata[4] = new G4DNACrossSectionDataSet(new G4LogLogInterpolation, CLHEP::eV, scaleFactor);
123 xsdata[4]->LoadData(filename);
124
125 filename = "dna/sigma_ionisation_b_rudd";
126 xsdata[5] = new G4DNACrossSectionDataSet(new G4LogLogInterpolation, CLHEP::eV, scaleFactor);
127 xsdata[5]->LoadData(filename);
128
129 filename = "dna/sigma_ionisation_c_rudd";
130 xsdata[6] = new G4DNACrossSectionDataSet(new G4LogLogInterpolation, CLHEP::eV, scaleFactor);
131 xsdata[6]->LoadData(filename);
132
133 filename = "dna/sigma_ionisation_n_rudd";
134 xsdata[7] = new G4DNACrossSectionDataSet(new G4LogLogInterpolation, CLHEP::eV, scaleFactor);
135 xsdata[7]->LoadData(filename);
136
137 filename = "dna/sigma_ionisation_o_rudd";
138 xsdata[8] = new G4DNACrossSectionDataSet(new G4LogLogInterpolation, CLHEP::eV, scaleFactor);
139 xsdata[8]->LoadData(filename);
140
141 filename = "dna/sigma_ionisation_si_rudd";
142 xsdata[14] = new G4DNACrossSectionDataSet(new G4LogLogInterpolation, CLHEP::eV, scaleFactor);
143 xsdata[14]->LoadData(filename);
144
145 filename = "dna/sigma_ionisation_fe_rudd";
146 xsdata[26] = new G4DNACrossSectionDataSet(new G4LogLogInterpolation, CLHEP::eV, scaleFactor);
147 xsdata[26]->LoadData(filename);
148
149 filename = "dna/sigma_ionisation_alphaplus_rudd";
150 xsalphaplus = new G4DNACrossSectionDataSet(new G4LogLogInterpolation, CLHEP::eV, scaleFactor);
151 xsalphaplus->LoadData(filename);
152
153 filename = "dna/sigma_ionisation_he_rudd";
154 xshelium = new G4DNACrossSectionDataSet(new G4LogLogInterpolation, CLHEP::eV, scaleFactor);
155 xshelium->LoadData(filename);
156
157 // to avoid possible threading problem fill this vector only once
158 auto water = G4NistManager::Instance()->FindMaterial("G4_WATER");
159 fpWaterDensity =
160 G4DNAMolecularMaterial::Instance()->GetNumMolPerVolTableFor(water);
161}
162
163//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo....
164
165void G4DNARuddIonisationExtendedModel::Initialise(const G4ParticleDefinition* p,
166 const G4DataVector&)
167{
168 if (p != fParticle) { SetParticle(p); }
169
170 // particle change object may be externally set
171 if (nullptr == fParticleChangeForGamma) {
172 fParticleChangeForGamma = GetParticleChangeForGamma();
173 }
174
175 // initialisation once in each thread
176 if (!isInitialised) {
177 isInitialised = true;
178 const G4String& pname = fParticle->GetParticleName();
179 if (pname == "proton") {
180 idx = 1;
181 xscurrent = xsdata[1];
182 fElow = fLowestEnergy;
183 } else if (pname == "hydrogen") {
184 idx = 0;
185 xscurrent = xsdata[0];
186 fElow = fLowestEnergy;
187 } else if (pname == "alpha") {
188 idx = 1;
189 xscurrent = xsdata[2];
190 isHelium = true;
191 fElow = fLimitEnergy;
192 } else if (pname == "alpha+") {
193 idx = 1;
194 isHelium = true;
195 xscurrent = xsalphaplus;
196 fElow = fLimitEnergy;
197 // The following values are provided by M. Dingfelder (priv. comm)
198 slaterEffectiveCharge[0]=2.0;
199 slaterEffectiveCharge[1]=2.0;
200 slaterEffectiveCharge[2]=2.0;
201 sCoefficient[0]=0.7;
202 sCoefficient[1]=0.15;
203 sCoefficient[2]=0.15;
204 } else if (pname == "helium") {
205 idx = 0;
206 isHelium = true;
207 fElow = fLimitEnergy;
208 xscurrent = xshelium;
209 slaterEffectiveCharge[0]=1.7;
210 slaterEffectiveCharge[1]=1.15;
211 slaterEffectiveCharge[2]=1.15;
212 sCoefficient[0]=0.5;
213 sCoefficient[1]=0.25;
214 sCoefficient[2]=0.25;
215 } else {
216 isIon = true;
217 idx = -1;
218 xscurrent = xsdata[1];
219 fElow = fLowestEnergy;
220 }
221 // defined stationary mode
222 statCode = G4EmParameters::Instance()->DNAStationary();
223
224 // initialise atomic de-excitation
225 fAtomDeexcitation = G4LossTableManager::Instance()->AtomDeexcitation();
226
227 if (verbose > 0) {
228 G4cout << "### G4DNARuddIonisationExtendedModel::Initialise(..) " << pname
229 << "/n idx=" << idx << " isIon=" << isIon
230 << " isHelium=" << isHelium << G4endl;
231 }
232 }
233}
234
235//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo....
236
237void G4DNARuddIonisationExtendedModel::SetParticle(const G4ParticleDefinition* p)
238{
239 fParticle = p;
240 fMass = p->GetPDGMass();
241 fMassRate = (isIon) ? CLHEP::proton_mass_c2/fMass : 1.0;
242}
243
244//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo....
245
246G4double
247G4DNARuddIonisationExtendedModel::CrossSectionPerVolume(const G4Material* material,
248 const G4ParticleDefinition* part,
249 G4double kinE,
250 G4double, G4double)
251{
252 // check if model is applicable for given material
253 G4double density = (material->GetIndex() < fpWaterDensity->size())
254 ? (*fpWaterDensity)[material->GetIndex()] : 0.0;
255 if (0.0 == density) { return 0.0; }
256
257 // ion may be different
258 if (fParticle != part) { SetParticle(part); }
259
260 // ion shoud be stopped - check on kinetic energy and not scaled energy
261 if (kinE < fLowestEnergy) { return DBL_MAX; }
262
263 G4double e = kinE*fMassRate;
264
265 G4double sigma = (e > fElow) ? xscurrent->FindValue(e)
266 : xscurrent->FindValue(fElow) * e / fElow;
267
268 if (idx == -1) {
269 sigma *= fEmCorrections->EffectiveChargeSquareRatio(part, material, kinE);
270 }
271
272 sigma *= density;
273
274 if (verbose > 1) {
275 G4cout << "G4DNARuddIonisationExtendedModel for " << part->GetParticleName()
276 << " Ekin(keV)=" << kinE/CLHEP::keV
277 << " sigma(cm^2)=" << sigma/CLHEP::cm2 << G4endl;
278 }
279 return sigma;
280}
281
282//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo....
283
284void
285G4DNARuddIonisationExtendedModel::SampleSecondaries(std::vector<G4DynamicParticle*>* fvect,
286 const G4MaterialCutsCouple* couple,
287 const G4DynamicParticle* dpart,
288 G4double, G4double)
289{
290 const G4ParticleDefinition* pd = dpart->GetDefinition();
291 if (fParticle != pd) { SetParticle(pd); }
292
293 // stop ion with energy below low energy limit
294 G4double kinE = dpart->GetKineticEnergy();
295 // ion shoud be stopped - check on kinetic energy and not scaled energy
296 if (kinE <= fLowestEnergy) {
297 fParticleChangeForGamma->SetProposedKineticEnergy(0.);
298 fParticleChangeForGamma->ProposeTrackStatus(fStopButAlive);
299 fParticleChangeForGamma->ProposeLocalEnergyDeposit(kinE);
300 return;
301 }
302
303 G4int shell = SelectShell(kinE*fMassRate);
304 G4double bindingEnergy = (useDNAWaterStructure)
305 ? waterStructure.IonisationEnergy(shell) : Bj[shell];
306
307 //Si: additional protection if tcs interpolation method is modified
308 if (kinE < bindingEnergy) { return; }
309
310 G4double esec = SampleElectronEnergy(kinE, shell);
311 G4double esum = 0.0;
312
313 // sample deexcitation
314 // here we assume that H2O electronic levels are the same as Oxygen.
315 // this can be considered true with a rough 10% error in energy on K-shell,
316 G4int Z = 8;
317 G4ThreeVector deltaDir =
318 GetAngularDistribution()->SampleDirectionForShell(dpart, esec, Z, shell, couple->GetMaterial());
319
320 // SI: only atomic deexcitation from K shell is considered
321 if(fAtomDeexcitation != nullptr && shell == 4) {
322 auto as = G4AtomicShellEnumerator(0);
323 auto ashell = fAtomDeexcitation->GetAtomicShell(Z, as);
324 fAtomDeexcitation->GenerateParticles(fvect, ashell, Z, 0, 0);
325
326 // compute energy sum from de-excitation
327 for (auto const & ptr : *fvect) {
328 esum += ptr->GetKineticEnergy();
329 }
330 }
331 // check energy balance
332 // remaining excitation energy of water molecule
333 G4double exc = bindingEnergy - esum;
334
335 // remaining projectile energy
336 G4double scatteredEnergy = kinE - bindingEnergy - esec;
337 if(scatteredEnergy < -tolerance || exc < -tolerance) {
338 G4cout << "G4DNARuddIonisationExtendedModel::SampleSecondaries: "
339 << "negative final E(keV)=" << scatteredEnergy/CLHEP::keV << " Ein(keV)="
340 << kinE/CLHEP::keV << " " << pd->GetParticleName()
341 << " Edelta(keV)=" << esec/CLHEP::keV << " MeV, Exc(keV)=" << exc/CLHEP::keV
342 << G4endl;
343 }
344
345 // projectile
346 if (!statCode) {
347 fParticleChangeForGamma->SetProposedKineticEnergy(scatteredEnergy);
348 fParticleChangeForGamma->ProposeLocalEnergyDeposit(exc);
349 } else {
350 fParticleChangeForGamma->SetProposedKineticEnergy(kinE);
351 fParticleChangeForGamma->ProposeLocalEnergyDeposit(kinE - scatteredEnergy);
352 }
353
354 // delta-electron
355 auto dp = new G4DynamicParticle(G4Electron::Electron(), deltaDir, esec);
356 fvect->push_back(dp);
357
358 // create radical
359 const G4Track* theIncomingTrack = fParticleChangeForGamma->GetCurrentTrack();
360 G4DNAChemistryManager::Instance()->CreateWaterMolecule(eIonizedMolecule, shell,
361 theIncomingTrack);
362}
363
364//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
365
366G4int G4DNARuddIonisationExtendedModel::SelectShell(G4double e)
367{
368 G4double sum = 0.0;
369 G4double xs;
370 for (G4int i=0; i<5; ++i) {
371 auto ptr = xscurrent->GetComponent(i);
372 xs = (e > fElow) ? ptr->FindValue(e) : ptr->FindValue(fElow)*e/fElow;
373 sum += xs;
374 fTemp[i] = sum;
375 }
376 sum *= G4UniformRand();
377 for (G4int i=0; i<5; ++i) {
378 if (sum <= fTemp[i]) { return i; }
379 }
380 return 0;
381}
382
383//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
384
385G4double G4DNARuddIonisationExtendedModel::MaxEnergy(G4double kine, G4int shell)
386{
387 // kinematic limit
388 G4double tau = kine/fMass;
389 G4double gam = 1.0 + tau;
390 G4double emax = 2.0*CLHEP::electron_mass_c2*tau*(tau + 2.0);
391
392 // Initialisation of sampling
393 G4double A1, B1, C1, D1, E1, A2, B2, C2, D2;
394 if (shell == 4) {
395 //Data For Liquid Water K SHELL from Dingfelder (Protons in Water)
396 A1 = 1.25;
397 B1 = 0.5;
398 C1 = 1.00;
399 D1 = 1.00;
400 E1 = 3.00;
401 A2 = 1.10;
402 B2 = 1.30;
403 C2 = 1.00;
404 D2 = 0.00;
405 alphaConst = 0.66;
406 } else {
407 //Data For Liquid Water from Dingfelder (Protons in Water)
408 A1 = 1.02;
409 B1 = 82.0;
410 C1 = 0.45;
411 D1 = -0.80;
412 E1 = 0.38;
413 A2 = 1.07;
414 // Value provided by M. Dingfelder (priv. comm)
415 B2 = 11.6;
416 C2 = 0.60;
417 D2 = 0.04;
418 alphaConst = 0.64;
419 }
420 bEnergy = Bj[shell];
421 G4double v2 = 0.25*emax/(bEnergy*gam*gam);
422 v = std::sqrt(v2);
423 u = Ry/bEnergy;
424 wc = 4.*v2 - 2.*v - 0.25*u;
425
426 G4double L1 = (C1 * fGpow->powA(v, D1)) / (1. + E1 * fGpow->powA(v, (D1 + 4.)));
427 G4double L2 = C2 * fGpow->powA(v, D2);
428 G4double H1 = (A1 * G4Log(1. + v2)) / (v2 + (B1 / v2));
429 G4double H2 = (A2 / v2) + (B2 / (v2 * v2));
430
431 F1 = L1 + H1;
432 F2 = (L2 * H2) / (L2 + H2);
433 return emax;
434}
435
436//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
437
438G4double G4DNARuddIonisationExtendedModel::SampleElectronEnergy(G4double kine,
439 G4int shell)
440{
441 G4double emax = MaxEnergy(kine, shell);
442 // compute cumulative probability function
443 G4double step = 1*CLHEP::eV;
444 auto nn = (G4int)(emax/step);
445 nn = std::min(std::max(nn, 10), 100);
446 step = emax/(G4double)nn;
447
448 // find max probability
449 G4double pmax = ProbabilityFunction(kine, 0.0, shell);
450 //G4cout << "## E(keV)=" << kine/keV << " emax=" << emax/keV
451 // << " pmax(0)=" << pmax << " shell=" << shell << " nn=" << nn << G4endl;
452
453 G4double e0 = 0.0; // energy with max probability
454 // 2 areas after point with max probability
455 G4double e1 = emax;
456 G4double e2 = emax;
457 G4double p1 = 0.0;
458 G4double p2 = 0.0;
459 const G4double f = 0.25;
460
461 // find max probability
462 G4double e = 0.0;
463 G4double p = 0.0;
464 for (G4int i=0; i<nn; ++i) {
465 e += step;
466 p = ProbabilityFunction(kine, e, shell);
467 if (p > pmax) {
468 pmax = p;
469 e0 = e;
470 } else {
471 break;
472 }
473 }
474 // increase step to be more effective
475 step *= 2.0;
476 // 2-nd area
477 for (G4int i=0; i<nn; ++i) {
478 e += step;
479 if (std::abs(e - emax) < step) {
480 e1 = emax;
481 break;
482 }
483 p = ProbabilityFunction(kine, e, shell);
484 if (p < f*pmax) {
485 p1 = p;
486 e1 = e;
487 break;
488 }
489 }
490 // 3-d area
491 if (e < emax) {
492 for (G4int i=0; i<nn; ++i) {
493 e += step;
494 if (std::abs(e - emax) < step) {
495 e2 = emax;
496 break;
497 }
498 p = ProbabilityFunction(kine, e, shell);
499 if (p < f*p1) {
500 p2 = p;
501 e2 = e;
502 break;
503 }
504 }
505 }
506 pmax *= 1.05;
507 // regression method with 3 regions
508 G4double s0 = pmax*e1;
509 G4double s1 = s0 + p1 * (e2 - e1);
510 G4double s2 = s1 + p2 * (emax - e2);
511 s0 = (s0 == s1) ? 1.0 : s0 / s2;
512 s1 = (s1 == s2) ? 1.0 : s1 / s2;
513
514 //G4cout << "pmax=" << pmax << " e1(keV)=" << e1/keV << " p1=" << p1 << " e2(keV)=" << e2/keV
515 // << " p2=" << p2 << " s0=" << s0 << " s1=" << s1 << " s2=" << s2 << G4endl;
516
517 // sampling
518 G4int count = 0;
519 G4double ymax, y, deltae;
520 for (G4int i = 0; i<100000; ++i) {
521 G4double q = G4UniformRand();
522 if (q <= s0) {
523 ymax = pmax;
524 deltae = e1 * q / s0;
525 } else if (q <= s1) {
526 ymax = p1;
527 deltae = e1 + (e2 - e1) * (q - s0) / (s1 - s0);
528 } else {
529 ymax = p2;
530 deltae = e2 + (emax - e2) * (q - s1) / (1.0 - s1);
531 }
532 y = ProbabilityFunction(kine, deltae, shell);
533 //G4cout << " " << i << ". deltae=" << deltae/CLHEP::keV
534 // << " y=" << y << " ymax=" << ymax << G4endl;
535 if (y > ymax && count < 10) {
536 ++count;
537 G4cout << "G4DNARuddIonisationExtendedModel::SampleElectronEnergy warning: "
538 << fParticle->GetParticleName() << " E(keV)=" << kine/CLHEP::keV
539 << " Edelta(keV)=" << deltae/CLHEP::keV
540 << " y=" << y << " ymax=" << ymax << " n=" << i << G4endl;
541 }
542 if (ymax * G4UniformRand() <= y) {
543 return deltae;
544 }
545 }
546 deltae = std::min(e0 + step, 0.5*emax);
547 return deltae;
548}
549
550//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
551
552G4double G4DNARuddIonisationExtendedModel::ProbabilityFunction(G4double kine,
553 G4double deltae,
554 G4int shell)
555{
556 // Shells ids are 0 1 2 3 4 (4 is k shell)
557 // !!Attention, "energyTransfer" here is the energy transfered to the electron which means
558 // that the secondary kinetic energy is w = energyTransfer - bindingEnergy
559 //
560 // ds S F1(nu) + w * F2(nu)
561 // ---- = G(k) * ---- -------------------------------------------
562 // dw Bj (1+w)^3 * [1 + exp{alpha * (w - wc) / nu}]
563 //
564 // w is the secondary electron kinetic Energy in eV
565 //
566 // All the other parameters can be found in Rudd's Papers
567 //
568 // M.Eugene Rudd, 1988, User-Friendly model for the energy distribution of
569 // electrons from protons or electron collisions. Nucl. Tracks Rad. Meas.Vol 16 N0 2/3 pp 219-218
570 //
571 G4double w = deltae/bEnergy;
572 G4double x = alphaConst*(w - wc)/v;
573 G4double y = (x > -15.) ? 1.0 + G4Exp(x) : 1.0;
574
575 G4double res = CorrectionFactor(kine, shell) * (F1 + w*F2) /
576 (fGpow->powN((1. + w)/u, 3) * y);
577
578 if (isHelium) {
579 G4double energyTransfer = deltae + bEnergy;
580 G4double Zeff = 2.0 -
581 (sCoefficient[0] * S_1s(kine, energyTransfer, slaterEffectiveCharge[0], 1.) +
582 sCoefficient[1] * S_2s(kine, energyTransfer, slaterEffectiveCharge[1], 2.) +
583 sCoefficient[2] * S_2p(kine, energyTransfer, slaterEffectiveCharge[2], 2.) );
584
585 res *= Zeff * Zeff;
586 }
587 return std::max(res, 0.0);
588}
589
590//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
591
592G4double G4DNARuddIonisationExtendedModel::ComputeProbabilityFunction(
593 const G4ParticleDefinition* p, G4double e, G4double deltae, G4int shell)
594{
595 if (fParticle != p) { SetParticle(p); }
596 MaxEnergy(e, shell);
597 return ProbabilityFunction(e, deltae, shell);
598}
599
600//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
601
602G4double G4DNARuddIonisationExtendedModel::S_1s(G4double kine,
603 G4double energyTransfer,
604 G4double slaterEffCharge,
605 G4double shellNumber)
606{
607 // 1 - e^(-2r) * ( 1 + 2 r + 2 r^2)
608 // Dingfelder, in Chattanooga 2005 proceedings, formula (7)
609
610 G4double r = Rh(kine, energyTransfer, slaterEffCharge, shellNumber);
611 G4double value = 1. - G4Exp(-2 * r) * ( ( 2. * r + 2. ) * r + 1. );
612 return value;
613}
614
615//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
616
617G4double G4DNARuddIonisationExtendedModel::S_2s(G4double kine,
618 G4double energyTransfer,
619 G4double slaterEffCharge,
620 G4double shellNumber)
621{
622 // 1 - e^(-2 r) * ( 1 + 2 r + 2 r^2 + 2 r^4)
623 // Dingfelder, in Chattanooga 2005 proceedings, formula (8)
624
625 G4double r = Rh(kine, energyTransfer, slaterEffCharge, shellNumber);
626 G4double value =
627 1. - G4Exp(-2 * r) * (((2. * r * r + 2.) * r + 2.) * r + 1.);
628
629 return value;
630}
631
632//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
633
634G4double G4DNARuddIonisationExtendedModel::S_2p(G4double kine,
635 G4double energyTransfer,
636 G4double slaterEffCharge,
637 G4double shellNumber)
638{
639 // 1 - e^(-2 r) * ( 1 + 2 r + 2 r^2 + 4/3 r^3 + 2/3 r^4)
640 // Dingfelder, in Chattanooga 2005 proceedings, formula (9)
641
642 G4double r = Rh(kine, energyTransfer, slaterEffCharge, shellNumber);
643 G4double value =
644 1. - G4Exp(-2 * r) * (((( 2./3. * r + 4./3.) * r + 2.) * r + 2.) * r + 1.);
645
646 return value;
647}
648
649//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
650
651G4double G4DNARuddIonisationExtendedModel::Rh(G4double ekin, G4double etrans,
652 G4double q, G4double shell)
653{
654 // The following values are provided by M. Dingfelder (priv. comm)
655 // Dingfelder, in Chattanooga 2005 proceedings, p 4
656
657 G4double escaled = CLHEP::electron_mass_c2/fMass * ekin;
658 const G4double H = 13.60569172 * CLHEP::eV;
659 G4double value = 2.0*std::sqrt(escaled / H)*q*H /(etrans*shell);
660
661 return value;
662}
663
664//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
665
666G4double
667G4DNARuddIonisationExtendedModel::CorrectionFactor(G4double kine, G4int shell)
668{
669 // ZF Shortened
670 G4double res = 1.0;
671 if (shell < 4 && 0 != idx) {
672 const G4double ln10 = fGpow->logZ(10);
673 G4double x = 2.0*((G4Log(kine/CLHEP::eV)/ln10) - 4.2);
674 // The following values are provided by M. Dingfelder (priv. comm)
675 res = 0.6/(1.0 + G4Exp(x)) + 0.9;
676 }
677 return res;
678}
679
680//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
eIonizedMolecule
@ eIonizedMolecule
Definition G4DNAChemistryManager.hh:70
G4Exp
G4double G4Exp(G4double initial_x)
Exponential Function double precision.
Definition G4Exp.hh:180
G4Log
G4double G4Log(G4double x)
Definition G4Log.hh:227
G4ThreeVector
CLHEP::Hep3Vector G4ThreeVector
Definition G4ThreeVector.hh:36
fStopButAlive
@ fStopButAlive
Definition G4TrackStatus.hh:44
G4double
double G4double
Definition G4Types.hh:83
G4int
int G4int
Definition G4Types.hh:85
G4endl
#define G4endl
Definition G4ios.hh:67
G4cout
G4GLOB_DLL std::ostream G4cout
C2
const double C2
Definition MCGIDI_KalbachMann.cc:15
C1
#define C1
G4UniformRand
#define G4UniformRand()
Definition Randomize.hh:52
G4DNAChemistryManager::Instance
static G4DNAChemistryManager * Instance()
Definition G4DNAChemistryManager.cc:124
G4DNAChemistryManager::CreateWaterMolecule
void CreateWaterMolecule(ElectronicModification, G4int, const G4Track *)
Definition G4DNAChemistryManager.cc:595
G4DNACrossSectionDataSet::LoadData
G4bool LoadData(const G4String &argFileName) override
Definition G4DNACrossSectionDataSet.cc:83
G4DNACrossSectionDataSet::GetComponent
const G4VEMDataSet * GetComponent(G4int componentId) const override
Definition G4DNACrossSectionDataSet.hh:72
G4DNAMolecularMaterial::GetNumMolPerVolTableFor
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...
Definition G4DNAMolecularMaterial.cc:396
G4DNAMolecularMaterial::Instance
static G4DNAMolecularMaterial * Instance()
Definition G4DNAMolecularMaterial.cc:80
G4DNARuddIonisationExtendedModel::CrossSectionPerVolume
G4double CrossSectionPerVolume(const G4Material *material, const G4ParticleDefinition *p, G4double ekin, G4double emin, G4double emax) override
Definition G4DNARuddIonisationExtendedModel.cc:247
G4DNARuddIonisationExtendedModel::SampleSecondaries
void SampleSecondaries(std::vector< G4DynamicParticle * > *, const G4MaterialCutsCouple *, const G4DynamicParticle *, G4double tmin, G4double maxEnergy) override
Definition G4DNARuddIonisationExtendedModel.cc:285
G4DNARuddIonisationExtendedModel::ComputeProbabilityFunction
G4double ComputeProbabilityFunction(const G4ParticleDefinition *, G4double kine, G4double deltae, G4int shell)
Definition G4DNARuddIonisationExtendedModel.cc:592
G4DNARuddIonisationExtendedModel::G4DNARuddIonisationExtendedModel
G4DNARuddIonisationExtendedModel(const G4ParticleDefinition *p=nullptr, const G4String &nam="DNARuddIonisationExtendedModel")
Definition G4DNARuddIonisationExtendedModel.cc:72
G4DNARuddIonisationExtendedModel::Initialise
void Initialise(const G4ParticleDefinition *, const G4DataVector &) override
Definition G4DNARuddIonisationExtendedModel.cc:165
G4DynamicParticle::GetDefinition
G4ParticleDefinition * GetDefinition() const
G4DynamicParticle::GetKineticEnergy
G4double GetKineticEnergy() const
G4Electron::Electron
static G4Electron * Electron()
Definition G4Electron.cc:91
G4EmParameters::Instance
static G4EmParameters * Instance()
Definition G4EmParameters.cc:70
G4EmParameters::DNAStationary
G4bool DNAStationary() const
Definition G4EmParameters.cc:450
G4LossTableManager::Instance
static G4LossTableManager * Instance()
Definition G4LossTableManager.cc:88
G4LossTableManager::AtomDeexcitation
G4VAtomDeexcitation * AtomDeexcitation()
Definition G4LossTableManager.hh:390
G4LossTableManager::EmCorrections
G4EmCorrections * EmCorrections()
Definition G4LossTableManager.hh:383
G4MaterialCutsCouple::GetMaterial
const G4Material * GetMaterial() const
Definition G4MaterialCutsCouple.hh:166
G4Material::GetIndex
std::size_t GetIndex() const
Definition G4Material.hh:239
G4NistManager::FindMaterial
G4Material * FindMaterial(const G4String &name) const
Definition G4NistManager.hh:413
G4NistManager::Instance
static G4NistManager * Instance()
Definition G4NistManager.cc:57
G4ParticleDefinition::GetParticleName
const G4String & GetParticleName() const
Definition G4ParticleDefinition.hh:96
G4Pow::GetInstance
static G4Pow * GetInstance()
Definition G4Pow.cc:41
G4VEMDataSet::FindValue
virtual G4double FindValue(G4double x, G4int componentId=0) const =0
G4VEmAngularDistribution::SampleDirectionForShell
virtual G4ThreeVector & SampleDirectionForShell(const G4DynamicParticle *dp, G4double finalTotalEnergy, G4int Z, G4int shellID, const G4Material *)
Definition G4VEmAngularDistribution.cc:68
G4VEmModel::GetAngularDistribution
G4VEmAngularDistribution * GetAngularDistribution()
Definition G4VEmModel.hh:599
G4VEmModel::GetParticleChangeForGamma
G4ParticleChangeForGamma * GetParticleChangeForGamma()
Definition G4VEmModel.cc:121
G4VEmModel::SetDeexcitationFlag
void SetDeexcitationFlag(G4bool val)
Definition G4VEmModel.hh:780
G4VEmModel::G4VEmModel
G4VEmModel(const G4String &nam)
Definition G4VEmModel.cc:67
G4VEmModel::SetAngularDistribution
void SetAngularDistribution(G4VEmAngularDistribution *)
Definition G4VEmModel.hh:606
DBL_MAX
#define DBL_MAX
Definition templates.hh:62