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25 // 25 //
26 // Authors: S. Meylan and C. Villagrasa (IRSN, 26 // Authors: S. Meylan and C. Villagrasa (IRSN, France)
27 // Models come from 27 // Models come from
28 // M. Bug et al, Rad. Phys and Chem. 130, 459- 28 // M. Bug et al, Rad. Phys and Chem. 130, 459-479 (2017)
29 // 29 //
30 30
31 #include "G4DNAPTBAugerModel.hh" 31 #include "G4DNAPTBAugerModel.hh"
32 #include "G4PhysicalConstants.hh" 32 #include "G4PhysicalConstants.hh"
33 #include "G4SystemOfUnits.hh" 33 #include "G4SystemOfUnits.hh"
34 #include "Randomize.hh" 34 #include "Randomize.hh"
35 #include "G4Electron.hh" 35 #include "G4Electron.hh"
36 36
37 #include "G4Material.hh" 37 #include "G4Material.hh"
38 38
39 using namespace std; 39 using namespace std;
40 40
41 G4DNAPTBAugerModel::G4DNAPTBAugerModel(const G 41 G4DNAPTBAugerModel::G4DNAPTBAugerModel(const G4String& modelAugerName): modelName(modelAugerName)
42 { 42 {
43 verboseLevel = 0; <<
44 minElectronEnergy = 0.0; <<
45 // To inform the user that the Auger model 43 // To inform the user that the Auger model is enabled
46 G4cout << modelName <<" is constructed" << 44 G4cout << modelName <<" is constructed" << G4endl;
47 } 45 }
48 46
49 G4DNAPTBAugerModel::~G4DNAPTBAugerModel() 47 G4DNAPTBAugerModel::~G4DNAPTBAugerModel()
50 { 48 {
51 if( verboseLevel>0 ) G4cout << modelName < 49 if( verboseLevel>0 ) G4cout << modelName <<" is deleted" << G4endl;
52 } 50 }
53 51
54 void G4DNAPTBAugerModel::Initialise() 52 void G4DNAPTBAugerModel::Initialise()
55 { 53 {
56 verboseLevel = 0; 54 verboseLevel = 0;
57 55
58 if( verboseLevel>0 ) 56 if( verboseLevel>0 )
59 { 57 {
60 G4cout << "PTB Auger model is initiali 58 G4cout << "PTB Auger model is initialised " << G4endl;
61 } 59 }
62 60
63 } 61 }
64 62
65 //....oooOO0OOooo........oooOO0OOooo........oo 63 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo....
66 64
67 void G4DNAPTBAugerModel::ComputeAugerEffect(st 65 void G4DNAPTBAugerModel::ComputeAugerEffect(std::vector<G4DynamicParticle*>* fvect, const G4String& materialNameIni, G4double bindingEnergy)
68 { 66 {
69 // Rename material if modified NIST materi 67 // Rename material if modified NIST material
70 // This is needed when material is obtaine 68 // This is needed when material is obtained from G4MaterialCutsCouple
71 G4String materialName = materialNameIni; 69 G4String materialName = materialNameIni;
72 if(materialName.find("_MODIFIED") != 0u){ << 70 if(materialName.find("_MODIFIED")){
73 materialName = materialName.substr(0,m 71 materialName = materialName.substr(0,materialName.size()-9);
74 } 72 }
75 73
76 // check if there is a k-shell ionisation 74 // check if there is a k-shell ionisation and find the ionised atom
77 G4int atomId(0); 75 G4int atomId(0);
78 76
79 atomId = DetermineIonisedAtom(atomId, mate 77 atomId = DetermineIonisedAtom(atomId, materialName, bindingEnergy);
80 78
81 if(atomId!=0) 79 if(atomId!=0)
82 { 80 {
83 G4double kineticEnergy = CalculAugerEn 81 G4double kineticEnergy = CalculAugerEnergyFor(atomId);
84 82
85 if(kineticEnergy<0) 83 if(kineticEnergy<0)
86 { 84 {
87 G4cerr<<"************************* 85 G4cerr<<"**************************"<<G4endl;
88 G4cerr<<"FatalError. Auger kinetic 86 G4cerr<<"FatalError. Auger kineticEnergy: "<<kineticEnergy<<G4endl;
89 exit(EXIT_FAILURE); 87 exit(EXIT_FAILURE);
90 } 88 }
91 89
92 if(atomId==1 || atomId==2 || atomId==3 90 if(atomId==1 || atomId==2 || atomId==3)
93 { 91 {
94 GenerateAugerWithRandomDirection(f 92 GenerateAugerWithRandomDirection(fvect, kineticEnergy);
95 } 93 }
96 else if(atomId==4) 94 else if(atomId==4)
97 { 95 {
98 GenerateAugerWithRandomDirection(f 96 GenerateAugerWithRandomDirection(fvect, kineticEnergy);
99 GenerateAugerWithRandomDirection(f 97 GenerateAugerWithRandomDirection(fvect, kineticEnergy);
100 } 98 }
101 } 99 }
102 } 100 }
103 101
104 //....oooOO0OOooo........oooOO0OOooo........oo 102 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo....
105 103
106 G4int G4DNAPTBAugerModel::DetermineIonisedAtom 104 G4int G4DNAPTBAugerModel::DetermineIonisedAtom(G4int atomId, const G4String& materialName, G4double bindingEnergy)
107 { 105 {
108 if(materialName=="THF" || materialName=="b 106 if(materialName=="THF" || materialName=="backbone_THF"){
109 if(bindingEnergy==305.07){ 107 if(bindingEnergy==305.07){
110 atomId=1; //"carbon"; 108 atomId=1; //"carbon";
111 } 109 }
112 else if(bindingEnergy==557.94){ 110 else if(bindingEnergy==557.94){
113 atomId=2; //"oxygen"; 111 atomId=2; //"oxygen";
114 } 112 }
115 } 113 }
116 else if(materialName=="PY" || materialName 114 else if(materialName=="PY" || materialName=="PU"
117 || materialName=="cytosine_PY" || 115 || materialName=="cytosine_PY" || materialName=="thymine_PY"
118 || materialName=="adenine_PU" || m 116 || materialName=="adenine_PU" || materialName=="guanine_PU"
119 ) 117 )
120 { 118 {
121 if(bindingEnergy==307.52){ 119 if(bindingEnergy==307.52){
122 atomId=1; //"carbon"; 120 atomId=1; //"carbon";
123 } 121 }
124 else if(bindingEnergy==423.44){ 122 else if(bindingEnergy==423.44){
125 atomId=4; //"nitrogen"; 123 atomId=4; //"nitrogen";
126 } 124 }
127 } 125 }
128 else if(materialName=="TMP"|| materialName 126 else if(materialName=="TMP"|| materialName=="backbone_TMP"){
129 if(bindingEnergy==209.59 || bindingEne 127 if(bindingEnergy==209.59 || bindingEnergy==152.4)
130 atomId=3; //"carbonTMP"; 128 atomId=3; //"carbonTMP";
131 } 129 }
132 130
133 return atomId; 131 return atomId;
134 } 132 }
135 133
136 //....oooOO0OOooo........oooOO0OOooo........oo 134 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo....
137 135
138 G4double G4DNAPTBAugerModel::CalculAugerEnergy 136 G4double G4DNAPTBAugerModel::CalculAugerEnergyFor(G4int atomId)
139 { 137 {
140 G4double kineticEnergy; 138 G4double kineticEnergy;
141 139
142 if(atomId==2) // oxygen 140 if(atomId==2) // oxygen
143 { 141 {
144 kineticEnergy = 495*eV; 142 kineticEnergy = 495*eV;
145 } 143 }
146 else 144 else
147 { 145 {
148 G4double f1, f2, f3, g1, g2, Y; 146 G4double f1, f2, f3, g1, g2, Y;
149 147
150 Y = G4UniformRand(); 148 Y = G4UniformRand();
151 149
152 if(atomId == 1){ // carbon 150 if(atomId == 1){ // carbon
153 f1 = -7.331e-2; 151 f1 = -7.331e-2;
154 f2 = -3.306e-5; 152 f2 = -3.306e-5;
155 f3 = 2.433e0; 153 f3 = 2.433e0;
156 g1 = 4.838e-1; 154 g1 = 4.838e-1;
157 g2 = 3.886e0; 155 g2 = 3.886e0;
158 } 156 }
159 else if(atomId == 4){ // nitrogen 157 else if(atomId == 4){ // nitrogen
160 f1 = -7.518e-2; 158 f1 = -7.518e-2;
161 f2 = 1.178e-4; 159 f2 = 1.178e-4;
162 f3 = 2.600e0; 160 f3 = 2.600e0;
163 g1 = 4.639e-1; 161 g1 = 4.639e-1;
164 g2 = 3.770e0; 162 g2 = 3.770e0;
165 } 163 }
166 else// if(atomId == 3) // carbon_TMP 164 else// if(atomId == 3) // carbon_TMP
167 { 165 {
168 f1 = -5.700e-2; 166 f1 = -5.700e-2;
169 f2 = 1.200e-4; 167 f2 = 1.200e-4;
170 f3 = 2.425e0; 168 f3 = 2.425e0;
171 g1 = 5.200e-1; 169 g1 = 5.200e-1;
172 g2 = 2.560e0; 170 g2 = 2.560e0;
173 } 171 }
174 172
175 kineticEnergy = pow(10, f1*pow( abs( l 173 kineticEnergy = pow(10, f1*pow( abs( log10(Y) ) , g1) + f2*pow( abs( log10(Y) ) , g2) + f3 )*eV;
176 } 174 }
177 175
178 return kineticEnergy; 176 return kineticEnergy;
179 } 177 }
180 178
181 //....oooOO0OOooo........oooOO0OOooo........oo 179 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo....
182 180
183 void G4DNAPTBAugerModel::SetCutForAugerElectro 181 void G4DNAPTBAugerModel::SetCutForAugerElectrons(G4double cut)
184 { 182 {
185 minElectronEnergy = cut; 183 minElectronEnergy = cut;
186 } 184 }
187 185
188 //....oooOO0OOooo........oooOO0OOooo........oo 186 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo....
189 187
190 void G4DNAPTBAugerModel::GenerateAugerWithRand 188 void G4DNAPTBAugerModel::GenerateAugerWithRandomDirection(std::vector<G4DynamicParticle*>* fvect, G4double kineticEnergy)
191 { 189 {
192 // Isotropic angular distribution for th 190 // Isotropic angular distribution for the outcoming e-
193 G4double newcosTh = 1.-2.*G4UniformRand( 191 G4double newcosTh = 1.-2.*G4UniformRand();
194 G4double newsinTh = std::sqrt(1.-newcos 192 G4double newsinTh = std::sqrt(1.-newcosTh*newcosTh);
195 G4double newPhi = twopi*G4UniformRand(); 193 G4double newPhi = twopi*G4UniformRand();
196 194
197 G4double xDir = newsinTh*std::sin(newPh 195 G4double xDir = newsinTh*std::sin(newPhi);
198 G4double yDir = newsinTh*std::cos(newPhi 196 G4double yDir = newsinTh*std::cos(newPhi);
199 G4double zDir = newcosTh; 197 G4double zDir = newcosTh;
200 198
201 G4ThreeVector ElectronDirection(xDir,yDi 199 G4ThreeVector ElectronDirection(xDir,yDir,zDir);
202 200
203 // generation of new particle 201 // generation of new particle
204 auto dp = new G4DynamicParticle (G4Elec << 202 G4DynamicParticle* dp = new G4DynamicParticle (G4Electron::Electron(), ElectronDirection, kineticEnergy) ;
205 fvect->push_back(dp); 203 fvect->push_back(dp);
206 } 204 }
207 205