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25 //
26 // Authors: S. Meylan and C. Villagrasa (IRSN, France)
27 // Models come from
28 // M. Bug et al, Rad. Phys and Chem. 130, 459-479 (2017)
29 //
30
31 #include "G4DNAPTBAugerModel.hh"
32 #include "G4PhysicalConstants.hh"
33 #include "G4SystemOfUnits.hh"
34 #include "Randomize.hh"
35 #include "G4Electron.hh"
36
37 #include "G4Material.hh"
38
39 using namespace std;
40
41 G4DNAPTBAugerModel::G4DNAPTBAugerModel(const G4String& modelAugerName): modelName(modelAugerName)
42 {
43 verboseLevel = 0;
44 minElectronEnergy = 0.0;
45 // To inform the user that the Auger model is enabled
46 G4cout << modelName <<" is constructed" << G4endl;
47 }
48
49 G4DNAPTBAugerModel::~G4DNAPTBAugerModel()
50 {
51 if( verboseLevel>0 ) G4cout << modelName <<" is deleted" << G4endl;
52 }
53
54 void G4DNAPTBAugerModel::Initialise()
55 {
56 verboseLevel = 0;
57
58 if( verboseLevel>0 )
59 {
60 G4cout << "PTB Auger model is initialised " << G4endl;
61 }
62
63 }
64
65 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo....
66
67 void G4DNAPTBAugerModel::ComputeAugerEffect(std::vector<G4DynamicParticle*>* fvect, const G4String& materialNameIni, G4double bindingEnergy)
68 {
69 // Rename material if modified NIST material
70 // This is needed when material is obtained from G4MaterialCutsCouple
71 G4String materialName = materialNameIni;
72 if(materialName.find("_MODIFIED") != 0u){
73 materialName = materialName.substr(0,materialName.size()-9);
74 }
75
76 // check if there is a k-shell ionisation and find the ionised atom
77 G4int atomId(0);
78
79 atomId = DetermineIonisedAtom(atomId, materialName, bindingEnergy);
80
81 if(atomId!=0)
82 {
83 G4double kineticEnergy = CalculAugerEnergyFor(atomId);
84
85 if(kineticEnergy<0)
86 {
87 G4cerr<<"**************************"<<G4endl;
88 G4cerr<<"FatalError. Auger kineticEnergy: "<<kineticEnergy<<G4endl;
89 exit(EXIT_FAILURE);
90 }
91
92 if(atomId==1 || atomId==2 || atomId==3)
93 {
94 GenerateAugerWithRandomDirection(fvect, kineticEnergy);
95 }
96 else if(atomId==4)
97 {
98 GenerateAugerWithRandomDirection(fvect, kineticEnergy);
99 GenerateAugerWithRandomDirection(fvect, kineticEnergy);
100 }
101 }
102 }
103
104 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo....
105
106 G4int G4DNAPTBAugerModel::DetermineIonisedAtom(G4int atomId, const G4String& materialName, G4double bindingEnergy)
107 {
108 if(materialName=="THF" || materialName=="backbone_THF"){
109 if(bindingEnergy==305.07){
110 atomId=1; //"carbon";
111 }
112 else if(bindingEnergy==557.94){
113 atomId=2; //"oxygen";
114 }
115 }
116 else if(materialName=="PY" || materialName=="PU"
117 || materialName=="cytosine_PY" || materialName=="thymine_PY"
118 || materialName=="adenine_PU" || materialName=="guanine_PU"
119 )
120 {
121 if(bindingEnergy==307.52){
122 atomId=1; //"carbon";
123 }
124 else if(bindingEnergy==423.44){
125 atomId=4; //"nitrogen";
126 }
127 }
128 else if(materialName=="TMP"|| materialName=="backbone_TMP"){
129 if(bindingEnergy==209.59 || bindingEnergy==152.4)
130 atomId=3; //"carbonTMP";
131 }
132
133 return atomId;
134 }
135
136 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo....
137
138 G4double G4DNAPTBAugerModel::CalculAugerEnergyFor(G4int atomId)
139 {
140 G4double kineticEnergy;
141
142 if(atomId==2) // oxygen
143 {
144 kineticEnergy = 495*eV;
145 }
146 else
147 {
148 G4double f1, f2, f3, g1, g2, Y;
149
150 Y = G4UniformRand();
151
152 if(atomId == 1){ // carbon
153 f1 = -7.331e-2;
154 f2 = -3.306e-5;
155 f3 = 2.433e0;
156 g1 = 4.838e-1;
157 g2 = 3.886e0;
158 }
159 else if(atomId == 4){ // nitrogen
160 f1 = -7.518e-2;
161 f2 = 1.178e-4;
162 f3 = 2.600e0;
163 g1 = 4.639e-1;
164 g2 = 3.770e0;
165 }
166 else// if(atomId == 3) // carbon_TMP
167 {
168 f1 = -5.700e-2;
169 f2 = 1.200e-4;
170 f3 = 2.425e0;
171 g1 = 5.200e-1;
172 g2 = 2.560e0;
173 }
174
175 kineticEnergy = pow(10, f1*pow( abs( log10(Y) ) , g1) + f2*pow( abs( log10(Y) ) , g2) + f3 )*eV;
176 }
177
178 return kineticEnergy;
179 }
180
181 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo....
182
183 void G4DNAPTBAugerModel::SetCutForAugerElectrons(G4double cut)
184 {
185 minElectronEnergy = cut;
186 }
187
188 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo....
189
190 void G4DNAPTBAugerModel::GenerateAugerWithRandomDirection(std::vector<G4DynamicParticle*>* fvect, G4double kineticEnergy)
191 {
192 // Isotropic angular distribution for the outcoming e-
193 G4double newcosTh = 1.-2.*G4UniformRand();
194 G4double newsinTh = std::sqrt(1.-newcosTh*newcosTh);
195 G4double newPhi = twopi*G4UniformRand();
196
197 G4double xDir = newsinTh*std::sin(newPhi);
198 G4double yDir = newsinTh*std::cos(newPhi);
199 G4double zDir = newcosTh;
200
201 G4ThreeVector ElectronDirection(xDir,yDir,zDir);
202
203 // generation of new particle
204 auto dp = new G4DynamicParticle (G4Electron::Electron(), ElectronDirection, kineticEnergy) ;
205 fvect->push_back(dp);
206 }
207