mirror of
https://github.com/gwm17/catima.git
synced 2024-11-26 12:08:52 -05:00
Andrej Prochazka
GitHub
commit
275a5cd78e
147
calculations.cpp
147
calculations.cpp
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@ -9,6 +9,7 @@
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#include "catima/generated_LS_coeff.h"
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#include "catima/nucdata.h"
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#include "catima/storage.h"
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#include "catima/srim.h"
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#ifdef GLOBAL
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extern "C"
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{
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@ -87,7 +88,7 @@ double bethek_dedx_e(Projectile &p, const Target &t, const Config &c, double I){
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double f2 = log(2.0*electron_mass*1000000*beta2/Ipot);
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double eta = beta*gamma;
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if(!(c.dedx&corrections::no_shell_correction) && eta>=0.13){ //shell corrections
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if(!(c.corrections&corrections::no_shell_correction) && eta>=0.13){ //shell corrections
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double cor = (+0.422377*pow(eta,-2)
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+0.0304043*pow(eta,-4)
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-0.00038106*pow(eta,-6))*1e-6*pow(Ipot,2)
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@ -99,21 +100,21 @@ double bethek_dedx_e(Projectile &p, const Target &t, const Config &c, double I){
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f2+=2*log(gamma) -beta2;
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double barkas=1.0;
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if(!(c.dedx&corrections::no_barkas)){
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if(!(c.corrections&corrections::no_barkas)){
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barkas = bethek_barkas(zp_eff,eta,t.Z);
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}
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double delta = bethek_density_effect(beta, t.Z);
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double LS = 0.0;
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if(!(c.dedx&corrections::no_lindhard)){
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if(!(c.corrections&corrections::no_lindhard)){
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//double LS = bethek_lindhard(p);
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LS = precalculated_lindhard(p);
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}
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double result = (f2)*barkas + LS - delta/2.;
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result *=f1;
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if( (p.T>50000.0) && !(c.dedx&corrections::no_highenergy)){
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if( (p.T>50000.0) && !(c.corrections&corrections::no_highenergy)){
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result += pair_production(p,t);
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result += bremsstrahlung(p,t);
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}
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@ -443,144 +444,16 @@ double bremsstrahlung(const Projectile &p, const Target &t){
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return 16.0*C*gamma*p.Z*p.Z*p.Z*p.Z*t.Z*t.Z*Lbs/(t.A*p.A*3.0*4.0*M_PI);
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};
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double sezi_p_se(double energy,const Target &t){
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double sp = -1;
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double e = 1000*energy; //e in keV/u
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int i = t.Z - 1;
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if(t.Z>92){
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i = 91;
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}
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if(e<=25)e=25;
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//double sl = (proton_stopping_coef[i][0]*pow(e,proton_stopping_coef[i][1])) + (proton_stopping_coef[i][2]*pow(e,proton_stopping_coef[i][3]));
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//double sh = proton_stopping_coef[i][4]/pow(e,proton_stopping_coef[i][5]) * log( (proton_stopping_coef[i][6]/e) + (proton_stopping_coef[i][7]*e));
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double sl = (proton_stopping_coef[i][0]*catima::power(e,proton_stopping_coef[i][1])) + (proton_stopping_coef[i][2]*catima::power(e,proton_stopping_coef[i][3]));
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double sh = proton_stopping_coef[i][4]/catima::power(e,proton_stopping_coef[i][5]) * log( (proton_stopping_coef[i][6]/e) + (proton_stopping_coef[i][7]*e));
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sp = sl*sh/(sl+sh);
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e=1000*energy;
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if(e<=25){
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//sp *=(t.Z>6)?pow(e/25,0.45):pow(e/25,0.25);
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sp *=(t.Z>6)?catima::power(e/25,0.45):catima::power(e/25,0.25);
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}
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return 100*sp*Avogadro/t.A;
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}
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double sezi_dedx_e(const Projectile &p, const Target &t){
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double e=p.T*1000; // e in keV/u
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double se = 0;
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if(p.Z==1){
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return sezi_p_se(p.T,t);
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}
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else if(p.Z == 2){
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double a=0;
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double b=0;
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//double zeta = 0;
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if(e<=1)e=1;
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// He Zeff
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b = log(e);
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a = 0.2865 + b*(0.1266+ b*(-0.001429+ b*(0.02402 + b*(-0.01135 + b*0.001475))));
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double heh = 1.0 - exp(-std::min(30.,a));
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b = 7.6 - std::max(0., b);
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a = (1.0 + (0.007 + 0.00005*t.Z)*exp(- b*b ));
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heh *= a*a;
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//zeta = sqrt(heh);
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se = sezi_p_se(p.T,t)*heh*4.0; //scale proton stopping
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if(e==1)se*= sqrt(p.T*1000.0); //vel proportional
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return se;
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}
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else{ // heavy ion
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double h1,h4;
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double a,q,b;
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double l1,l0,l;
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double YRmin = 0.130; // YRmin = VR / ZP**0.67 <= 0.13 OR VR <= 1.0
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double VRmin = 1.0;
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double v=0;
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double vfermi;
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double yr=0;
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double zeta = 0;
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double se;
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int i;
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i = t.Z - 1;
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if(t.Z>92){
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i = 91;
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}
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vfermi = atima_vfermi[i];
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v = sqrt(e/25.0)/vfermi;
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double v2=v*v;
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double vr = (v >= 1)? v*vfermi*(1.+ 1./(5.*v2)) : 3.0*vfermi/4.0*(1.0+v2*(2.0/3.0-v2/15.0));
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h1= 1./catima::power(p.Z,0.6667);
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yr = std::max(YRmin,vr*h1);
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yr = std::max(yr, VRmin*h1);
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//-- CALCULATE ZEFF
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a = -0.803*catima::power(yr,0.3) + 1.3167*catima::power(yr,0.6) + 0.38157*yr + 0.008983*yr*yr;
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q = std::min(1.0, std::max(0.0 , (1.0 - exp(-std::min(a, 50.0))))); //-- Q = IONIZATION LEVEL OF THE ION AT RELATIVE VELOCITY YR
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//-- IONIZATION LEVEL TO EFFECTIVE CHARGE
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h1 = 1./ catima::power(p.Z,0.3333);
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b = (std::min(0.43, std::max(0.32,0.12 + 0.025*p.Z)))*h1;
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l0 = (.8 - q * std::min(1.2,0.6 +p.Z/30.0))*h1;
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if(q < 0.2){
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l1 = 0;
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}
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else{
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if (q < std::max(0.0,0.9-0.025*p.Z)){
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l1 = b*(q-0.2)/fabs(std::max(0.0,0.9-0.025*p.Z)-0.2000001);
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}
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else{
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if(q < std::max(0.0,1.0 - 0.025*std::min(16.,p.Z))) l1 = b;
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else l1 = b*(1.0 - q)/(0.025*std::min(16.,p.Z));
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}
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}
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// calculate screening
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l = std::max(l1,l0*atima_lambda_screening[(int)p.Z-1]);
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h1 =4.0*l*vfermi/1.919;
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zeta = q + (1./(2.*(vfermi*vfermi)))*(1. - q)* log(1. + h1*h1);
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// ZP**3 EFFECT AS IN REF. 779?
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a = 7.6 - std::max(0.0, log(e));
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zeta = zeta*(1. + (1./(p.Z*p.Z))*(0.18 + .0015*t.Z)*exp(-a*a));
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h1= 1./catima::power(p.Z,0.6667);
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if (yr <= ( std::max(YRmin, VRmin*h1))){
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VRmin=std::max(VRmin, YRmin/h1);
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//--C ..CALCULATE VELOCITY STOPPING FOR YR < YRmin
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double vmin =.5*(VRmin + sqrt(std::max(0.0,VRmin*VRmin - .8*vfermi*vfermi)));
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double eee = 25.0*vmin*vmin;
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double eval = 1;
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if((t.Z == 6) || (((t.Z == 14) || (t.Z == 32)) && (p.Z <= 19))) eval = 0.35;
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else eval = 0.5;
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h1 = zeta *p.Z;
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h4 = catima::power(e / eee,eval);
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se = sezi_p_se(eee*0.001,t) * h1*h1*h4;
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return se;
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}
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else {
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se = sezi_p_se(p.T,t)*catima::power(zeta*p.Z,2.0);
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return se;
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}
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return 0;
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}
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};
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double sezi_dedx_e(const Projectile &p, const Material &mat){
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double sezi_dedx_e(const Projectile &p, const Material &mat, const Config &c){
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double w;
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double sum=0.0;
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bool use95 = config_lowenergy(c) == low_energy_types::srim_95;
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for(int i=0;i<mat.ncomponents();i++){
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auto t = mat.get_element(i);
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w = mat.weight_fraction(i);
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sum += w*sezi_dedx_e(p,t);
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sum += w*srim_dedx_e(p.Z,t.Z,p.T, use95)/t.A;
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}
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return sum;
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return 100*sum*Avogadro; // returning MeV/g/cm2
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}
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@ -703,7 +576,7 @@ double dedx_variance(Projectile &p, Target &t, const Config &c){
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double zp_eff = z_effective(p,t,c);
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double f = domega2dx_constant*pow(zp_eff,2)*t.Z/t.A;
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if(c.dedx_straggling == omega::atima){
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if(config_omega(c) == omega_types::atima){
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cor = 24.89 * pow(t.Z,1.2324)/(electron_mass*1e6 * beta2)*
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log( 2.0*electron_mass*1e6*beta2/(33.05*pow(t.Z,1.6364)));
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cor = std::max(cor, 0.0 );
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@ -91,17 +91,7 @@ namespace catima{
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/**
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* electronic energy loss for low energy, should be like SRIM
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*/
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double sezi_dedx_e(const Projectile &p, const Target &t);
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/**
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* electronic energy loss for low energy, should be like SRIM
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*/
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double sezi_dedx_e(const Projectile &p, const Material &mat);
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/**
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* electronic energy loss of protons for low energy, should be like SRIM
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*/
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double sezi_p_se(double energy,const Target &t);
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double sezi_dedx_e(const Projectile &p, const Material &mat, const Config &c=default_config);
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double angular_scattering_variance(Projectile &p, Target &t);
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39
catima.pyx
39
catima.pyx
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@ -305,47 +305,53 @@ cdef class Config:
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#self.cbase = catimac.Config()
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self.cbase.z_effective = z_eff_type.pierce_blann
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self.cbase.skip = 0
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self.cbase.dedx = 0
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self.cbase.dedx_straggling = omega_type.atima
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self.cbase.calculation = 1
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self.cbase.corrections = 0
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def z_effective(self, val=None):
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if(val is None):
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return self.cbase.z_effective
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else:
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self.cbase.z_effective = val
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def skip_calculation(self, val=None):
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if(val is None):
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return self.cbase.skip
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else:
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self.cbase.skip = val
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def dedx(self, val=None):
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def corrections(self, val=None):
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if(val is None):
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return self.cbase.dedx
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return self.cbase.corrections
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else:
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self.cbase.dedx = val
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def dedx_straggling(self, val=None):
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self.cbase.corrections = val
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def calculation(self, val=None):
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if(val is None):
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return self.cbase.dedx_straggling
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return self.cbase.calculation
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else:
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self.cbase.dedx_straggling = val
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self.cbase.calculation = val
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def set(self,other):
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if("z_effective" in other):
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self.cbase.z_effective = other["z_effective"]
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if("dedx" in other):
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self.cbase.dedx = other["dedx"]
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if("dedx_straggling" in other):
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self.cbase.dedx_straggling = other["dedx_straggling"]
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if("calculation" in other):
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self.cbase.calculation = other["calculation"]
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if("corrections" in other):
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self.cbase.corrections = other["corrections"]
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def get(self):
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res = {}
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res["z_effective"] = self.cbase.z_effective
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res["dedx"] = self.cbase.dedx
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res["dedx_straggling"] = self.cbase.dedx_straggling
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res["corrections"] = self.cbase.corrections
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res["calculation"] = self.cbase.calculation
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res["skip"] = self.cbase.skip
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return res
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def print_info(self):
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print("z_effective = %s"%z_eff_type(self.cbase.z_effective))
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print("dedx_straggling = %s"%omega_type(self.cbase.dedx_straggling))
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print("calculation = %s"%omega_type(self.cbase.dedx_straggling))
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default_config = Config()
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@ -464,9 +470,6 @@ def w_magnification(Projectile projectile, Material material, energy = None, Con
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energy = projectile.T()
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return catimac.w_magnification(projectile.cbase,energy, material.cbase, config.cbase)
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def sezi_dedx_e(Projectile projectile, Target t):
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return catimac.sezi_dedx_e(projectile.cbase, t.cbase)
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def bethek_dedx_e(Projectile projectile, Target t, Config c = default_config, Ipot=0.0):
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return catimac.bethek_dedx_e(projectile.cbase, t.cbase,c.cbase,Ipot)
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@ -68,8 +68,8 @@ cdef extern from "catima/config.h" namespace "catima":
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cdef struct Config:
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char z_effective;
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char skip;
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char dedx;
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char dedx_straggling
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char corrections;
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char calculation;
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cdef extern from "catima/catima.h" namespace "catima":
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cdef double dedx(Projectile &p, double T, const Material &t,const Config &c)
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@ -96,7 +96,6 @@ cdef extern from "catima/calculations.h" namespace "catima":
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cdef double bethek_lindhard(const Projectile &p);
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cdef double bethek_lindhard_X(const Projectile &p);
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cdef double bethek_dedx_e(Projectile &p,const Target &t, const Config &c, double I);
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cdef double sezi_dedx_e(const Projectile &p, const Target &t);
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cdef double z_effective(const Projectile &p, const Target &t, const Config &c);
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cdef double z_eff_Pierce_Blann(double z, double beta);
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cdef double z_eff_Anthony_Landford(double pz, double beta, double tz);
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40
config.h
40
config.h
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@ -8,7 +8,7 @@ namespace catima{
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* \enum z_eff_type
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* enum to select formulat to calculate effective charge of the Projectile
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*/
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enum z_eff_type:char {
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enum z_eff_type:unsigned char {
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none = 0,
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pierce_blann = 1,
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anthony_landorf = 2,
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@ -43,11 +43,19 @@ namespace catima{
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/**
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* enum to select which dEdx straggling options
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*/
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enum omega:unsigned char{
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enum omega_types:unsigned char{
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atima = 0,
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bohr = 1,
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};
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/**
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* enum to select which how low energy part is calculated
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*/
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enum low_energy_types:unsigned char{
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srim_85 = 0,
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srim_95 = 1,
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};
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/**
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* structure to store calculation configuration
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* each group of options are grouped and enum are suppose to use
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@ -57,17 +65,39 @@ namespace catima{
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*
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*/
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struct Config{
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#ifndef GLOBAL
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unsigned char z_effective=z_eff_type::pierce_blann;
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//char z_effective=z_eff_type::atima14;
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unsigned char dedx = 0;
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unsigned char dedx_straggling = omega::bohr;
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#else
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unsigned char z_effective=z_eff_type::atima14;
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#endif
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#ifdef REACTIONS
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unsigned char skip=skip_none;
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#else
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unsigned char skip=skip_calculation::skip_reactions;
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#endif
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unsigned char corrections = 0;
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unsigned char calculation = 1;
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};
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inline void set_config_lowenergy(Config c, low_energy_types lt){
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c.corrections = c.corrections & (lt<<2);
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}
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inline unsigned char config_lowenergy(const Config c){
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return (c.corrections>>2) & 0x7;
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}
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inline void set_config_omega(Config c, omega_types ot){
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c.corrections = c.corrections & ot;
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}
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inline unsigned char config_omega(const Config c){
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return c.corrections & 0x3;
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}
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extern Config default_config;
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}
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@ -4,7 +4,7 @@
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// this is taken from atima
|
||||
|
||||
namespace catima{
|
||||
|
||||
/*
|
||||
constexpr double proton_stopping_coef[92][8] = { // proton in material stopping coefficient
|
||||
{ .0091827, .0053496, .69741, .48493, 316.07,1.0143, 9329.3, .0539890}, //H
|
||||
{ .11393, .0051984, 1.0822, .39252, 1081.0, 1.0645, 4068.5, .0176990}, //He
|
||||
|
|
@ -289,8 +289,9 @@ const double atima_lambda_screening[92]= {
|
|||
1.16,
|
||||
1.16,
|
||||
1.16};
|
||||
}
|
||||
|
||||
*/
|
||||
}
|
||||
namespace density_effect{
|
||||
const double x0[97]= {
|
||||
1.8639, 2.2017, 0.1304, 0.0592, 0.0305, -.0178, 1.7378, 1.7541, 1.8433, 2.0735,
|
||||
|
|
|
|||
288
data_srim.h
288
data_srim.h
|
|
@ -1,288 +0,0 @@
|
|||
#ifndef SRIM_DATA
|
||||
#define SRIM_DATA
|
||||
// this is take from atima
|
||||
constexpr double proton_stopping_coef[92][8] = { // proton in material stopping coefficient
|
||||
{ .0091827, .0053496, .69741, .48493, 316.07,1.0143, 9329.3, .0539890}, //H
|
||||
{ .11393, .0051984, 1.0822, .39252, 1081.0, 1.0645, 4068.5, .0176990}, //He
|
||||
{ .85837, .0050147, 1.6044, .38844, 1337.3, 1.0470, 2659.2, .01898},
|
||||
{ .8781, .0051049, 5.4232, .2032, 1200.6, 1.0211, 1401.8, .0385290},
|
||||
{ 1.4608, .0048836, 2.338, .44249, 1801.3, 1.0352, 1784.1, .02024},
|
||||
{ 3.2579, .0049148, 2.7156, .36473, 2092.2, 1.0291, 2643.6, .0182370}, //C
|
||||
{ .59674, .0050837, 4.2073, .30612, 2394.2, 1.0255, 4892.1, .0160060},
|
||||
{ .75253, .0050314, 4.0824, .30067, 2455.8, 1.0181, 5069.7, .0174260}, //O
|
||||
{ 1.226, .0051385, 3.2246, .32703, 2525.0, 1.0142, 7563.6, .0194690},
|
||||
{ 1.0332, .0051645, 3.004, .33889, 2338.6, .99997, 6991.2, .0217990}, //Ne
|
||||
{ 6.0972, .0044292, 3.1929, .45763, 1363.3, .95182, 2380.6, .0818350},
|
||||
{14.013, .0043646, 2.2641, .36326, 2187.4, .99098, 6264.8, .0462},
|
||||
{ .039001, .0045415, 5.5463, .39562, 1589.2, .95316, 816.16, .0474840},
|
||||
{ 2.072, .0044516, 3.5585, .53933, 1515.2, .93161, 1790.3, .0351980},
|
||||
{17.575, .0038346, .078694, 1.2388,2806.0, .97284, 1037.6, .0128790},
|
||||
{16.126, .0038315, .054164, 1.3104,2813.3, .96587, 1251.4, .0118470},
|
||||
{ 3.217, .0044579, 3.6696, .5091, 2734.6, .96253, 2187.5, .0169070},
|
||||
{ 2.0379, .0044775, 3.0743, .54773, 3505.0, .97575, 1714.00, .0117010},
|
||||
{ .74171, .0043051, 1.1515, .95083, 917.21, .8782, 389.93, .18926},
|
||||
{ 9.1316, .0043809, 5.4611, .31327, 3891.8, .97933, 6267.9, .0151960}, //Ca
|
||||
{ 7.2247, .0043718, 6.1017, .37511, 2829.2, .95218, 6376.1, .0203980},
|
||||
{ .147, .0048456, 6.3485, .41057, 2164.1, .94028, 5292.6, .0502630},
|
||||
{ 5.0611, .0039867, 2.6174, .57957, 2218.9, .92361, 6323.00, .0256690},
|
||||
{ .53267, .0042968, .39005, 1.2725, 1872.7, .90776, 64.166, .0301070},
|
||||
{ .47697, .0043038, .31452, 1.3289, 1920.5, .90649, 45.576, .0274690},
|
||||
{ .027426, .0035443, .031563, 2.1755, 1919.5, .90099, 23.902, .0253630},
|
||||
{ .16383, .0043042, .073454, 1.8592, 1918.4, .89678, 27.61, .0231840},
|
||||
{ 4.2562, .0043737, 1.5606, .72067, 1546.8, .87958, 302.02, .0409440}, //Ni
|
||||
{ 2.3508, .0043237, 2.882, .50113, 1837.7, .89992, 2377.00, .04965},
|
||||
{ 3.1095, .0038455, .11477, 1.5037, 2184.7, .89309, 67.306, .0165880},
|
||||
{15.322, .0040306, .65391, .67668, 3001.7, .92484, 3344.2, .0163660},
|
||||
{ 3.6932, .0044813, 8.608, .27638, 2982.7, .9276, 3166.6, .0308740},
|
||||
{ 7.1373, .0043134, 9.4247, .27937, 2725.8, .91597, 3166.1, .0250080},
|
||||
{ 4.8979, .0042937, 3.7793, .50004, 2824.5, .91028, 1282.4, .0170610},
|
||||
{ 1.3683, .0043024, 2.5679, .60822, 6907.8, .9817, 628.01, .0068055},
|
||||
{ 1.8301, .0042983, 2.9057, .6038, 4744.6, .94722, 936.64, .0092242},
|
||||
{ .42056, .0041169, .01695, 2.3616, 2252.7, .89192, 39.752, .0277570},
|
||||
{30.78, .0037736, .55813, .76816, 7113.2, .97697, 1604.4, .0065268},
|
||||
{11.576, .0042119, 7.0244, .37764, 4713.5, .94264, 2493.2, .01127},
|
||||
{ 6.2406, .0041916, 5.2701, .49453, 4234.6, .93232, 2063.9, .0118440},
|
||||
{ .33073, .0041243, 1.7246, 1.1062, 1930.2, .86907, 27.416, .0382080},
|
||||
{ .017747, .0041715, .14586, 1.7305,1803.6, .86315, 29.669, .0321230},
|
||||
{ 3.7229, .0041768, 4.6286, .56769, 1678.0, .86202, 3094.00, .06244},
|
||||
{ .13998, .0041329, .25573, 1.4241, 1919.3, .86326, 72.797, .0322350},
|
||||
{ .2859, .0041386, .31301, 1.3424, 1954.8, .86175, 115.18, .0293420},
|
||||
{ .76, .0042179, 3.386, .76285, 1867.4, .85805, 69.994, .0364480},
|
||||
{ 6.3957, .0041935, 5.4689, .41378, 1712.6, .85397,18493.00, .0564710},
|
||||
{ 3.4717, .0041344, 3.2337, .63788, 1116.4, .81959, 4766.0, .1179},
|
||||
{ 2.5265, .0042282, 4.532, .53562, 1030.8, .81652,16252.0, .19722},
|
||||
{ 7.3683, .0041007, 4.6791, .51428, 1160.0, .82454,17965.0, .13316},
|
||||
{ 7.7197, .004388, 3.242, .68434, 1428.1, .83398, 1786.7, .0665120},
|
||||
{16.78, .0041918, 9.3198, .29568, 3370.9, .90289, 7431.7, .02616},
|
||||
{ 4.2132, .0042098, 4.6753, .57945, 3503.9, .89261, 1468.9, .0143590},
|
||||
{ 4.0818, .004214, 4.4425, .58393, 3945.3, .90281, 1340.5, .0134140}, //Xe
|
||||
{.18517, .0036215, .00058788,3.5315, 2931.3, .88936, 26.18, .0263930},
|
||||
{ 4.8248, .0041458, 6.0934, .57026, 2300.1, .86359, 2980.7, .0386790},
|
||||
{ .49857, .0041054, 1.9775, .95877, 786.55, .78509, 806.6, .40882},
|
||||
{ 3.2754, .0042177, 5.768, .54054, 6631.3, .94282, 744.07, .0083026},
|
||||
{ 2.9978, .0040901, 4.5299, .62025, 2161.2, .85669, 1268.6, .0430310},
|
||||
{ 2.8701, .004096, 4.2568, .6138, 2130.4, .85235, 1704.1, .0393850},
|
||||
{10.853, .0041149, 5.8907, .46834, 2857.2, .8755, 3654.2, .0299550},
|
||||
{ 3.6407, .0041782, 4.8742, .57861, 1267.7, .82211, 3508.2, .24174},
|
||||
{17.645, .0040992, 6.5855, .32734, 3931.3, .90754, 5156.7, .0362780},
|
||||
{ 7.5309, .0040814, 4.9389, .50679, 2519.7, .85819, 3314.6, .0305140},
|
||||
{ 5.4742, .0040829, 4.897, .51113, 2340.1, .85296, 2342.7, .0356620},
|
||||
{ 4.2661, .0040667, 4.5032, .55257, 2076.4, .84151, 1666.6, .0408010},
|
||||
{ 6.8313, .0040486, 4.3987, .51675, 2003.0, .83437, 1410.4, .03478},
|
||||
{ 1.2707, .0040553, 4.6295, .57428, 1626.3, .81858, 995.68, .0553190},
|
||||
{ 5.7561, .0040491, 4.357, .52496, 2207.3, .83796, 1579.5, .0271650},
|
||||
{14.127, .0040596, 5.8304, .37755, 3645.9, .87823, 3411.8, .0163920},
|
||||
{ 6.6948, .0040603, 4.9361, .47961, 2719.0, .85249, 1885.8, .0197130},
|
||||
{ 3.0619, .0040511, 3.5803, .59082, 2346.1, .83713, 1222.0, .0200720},
|
||||
{10.811, .0033008, 1.3767, .76512, 2003.7, .82269, 1110.6, .0249580},
|
||||
{ 2.7101, .0040961, 1.2289, .98598, 1232.4, .79066, 155.42, .0472940},
|
||||
{ .52345, .0040244, 1.4038, .8551, 1461.4, .79677, 503.34, .0367890},
|
||||
{ .4616, .0040203, 1.3014, .87043, 1473.5, .79687, 443.09, .0363010},
|
||||
{ .97814, .0040374, 2.0127, .7225, 1890.8, .81747, 930.7, .02769},
|
||||
{ 3.2086, .004051, 3.6658, .53618, 3091.2, .85602, 1508.1, .0154010},
|
||||
{ 2.0035, .0040431, 7.4882, .3561, 4464.3, .88836, 3966.5, .0128390},
|
||||
{15.43, .0039432, 1.1237, .70703, 4595.7, .88437, 1576.5, .0088534},
|
||||
{ 3.1512, .0040524, 4.0996, .5425, 3246.3, .85772, 1691.8, .0150580},
|
||||
{ 7.1896, .0040588, 8.6927, .35842, 4760.6, .88833, 2888.3, .0110290}, //Pb
|
||||
{ 9.3209, .004054, 11.543, .32027, 4866.2, .89124, 3213.4, .0119350},
|
||||
{29.242, .0036195, .16864, 1.1226, 5688.0, .89812, 1033.3, .0071303},
|
||||
{ 1.8522, .0039973, 3.1556, .65096, 3755.0, .86383, 1602.0, .0120420},
|
||||
{ 3.222, .0040041, 5.9024, .52678, 4040.2, .86804, 1658.4, .0117470},
|
||||
{ 9.3412, .0039661, 7.921, .42977, 5180.9, .88773, 2173.2, .0092007},
|
||||
{36.183, .0036003, .58341, .86747, 6990.2, .91082, 1417.1, .0062187},
|
||||
{ 5.9284, .0039695, 6.4082, .52122, 4619.5, .88083, 2323.5, .0116270},
|
||||
{ 5.2454, .0039744, 6.7969, .48542, 4586.3, .87794, 2481.5, .0112820},
|
||||
{33.702, .0036901, .47257, .89235, 5295.7, .8893, 2053.3, .0091908},
|
||||
{2.7589, .0039806, 3.2092, .66122, 2505.4, .82863, 2065.1, .0228160} //U
|
||||
};
|
||||
|
||||
const double srim_vfermi[92] = {
|
||||
1.0309,
|
||||
0.15976,
|
||||
0.59782,
|
||||
1.0781,
|
||||
1.0486,
|
||||
1.00,
|
||||
1.058,
|
||||
0.93942,
|
||||
0.74562,
|
||||
0.3424,
|
||||
0.45259,
|
||||
0.71074,
|
||||
0.90519,
|
||||
0.97411,
|
||||
0.97184,
|
||||
0.89852,
|
||||
0.70827,
|
||||
0.39816,
|
||||
0.36552,
|
||||
0.62712,
|
||||
0.81707,
|
||||
0.9943,
|
||||
1.1423,
|
||||
1.2381,
|
||||
1.1222,
|
||||
0.92705,
|
||||
1.0047,
|
||||
1.2,
|
||||
1.0661,
|
||||
0.97411,
|
||||
0.84912,
|
||||
0.95,
|
||||
1.0903,
|
||||
1.0429,
|
||||
0.49715,
|
||||
0.37755,
|
||||
0.35211,
|
||||
0.57801,
|
||||
0.77773,
|
||||
1.0207,
|
||||
1.029,
|
||||
1.2542,
|
||||
1.122,
|
||||
1.1241,
|
||||
1.0882,
|
||||
1.2709,
|
||||
1.2542,
|
||||
0.90094,
|
||||
0.74093,
|
||||
0.86054,
|
||||
0.93155,
|
||||
1.0047,
|
||||
0.55379,
|
||||
0.43289,
|
||||
0.32636,
|
||||
0.5131,
|
||||
0.6950,
|
||||
0.72591,
|
||||
0.71202,
|
||||
0.67413,
|
||||
0.71418,
|
||||
0.71453,
|
||||
0.5911,
|
||||
0.70263,
|
||||
0.68049,
|
||||
0.68203,
|
||||
0.68121,
|
||||
0.68532,
|
||||
0.68715,
|
||||
0.61884,
|
||||
0.71801,
|
||||
0.83048,
|
||||
1.1222,
|
||||
1.2381,
|
||||
1.045,
|
||||
1.0733,
|
||||
1.0953,
|
||||
1.2381,
|
||||
1.2879,
|
||||
0.78654,
|
||||
0.66401,
|
||||
0.84912,
|
||||
0.88433,
|
||||
0.80746,
|
||||
0.43357,
|
||||
0.41923,
|
||||
0.43638,
|
||||
0.51464,
|
||||
0.73087,
|
||||
0.81065,
|
||||
1.9578,
|
||||
1.0257};
|
||||
|
||||
|
||||
|
||||
double srim_lambda_screening[92]= {
|
||||
1.00,
|
||||
1.00,
|
||||
1.10,
|
||||
1.06,
|
||||
1.01,
|
||||
1.03,
|
||||
1.04,
|
||||
0.99,
|
||||
0.95,
|
||||
0.90,
|
||||
0.82,
|
||||
0.81,
|
||||
0.83,
|
||||
0.88,
|
||||
1.00,
|
||||
0.95,
|
||||
0.97,
|
||||
0.99,
|
||||
0.98,
|
||||
0.97,
|
||||
0.98,
|
||||
0.97,
|
||||
0.96,
|
||||
0.93,
|
||||
0.91,
|
||||
0.9,
|
||||
0.88,
|
||||
0.9,
|
||||
0.9,
|
||||
0.9,
|
||||
0.9,
|
||||
0.85,
|
||||
0.9,
|
||||
0.9,
|
||||
0.91,
|
||||
0.92,
|
||||
0.9,
|
||||
0.9,
|
||||
0.9,
|
||||
0.9,
|
||||
0.9,
|
||||
0.88,
|
||||
0.9,
|
||||
0.88,
|
||||
0.88,
|
||||
0.9,
|
||||
0.9,
|
||||
0.88,
|
||||
0.9,
|
||||
0.9,
|
||||
0.9,
|
||||
0.9,
|
||||
0.96,
|
||||
1.2,
|
||||
0.9,
|
||||
0.88,
|
||||
0.88,
|
||||
0.85,
|
||||
0.90,
|
||||
0.90,
|
||||
0.92,
|
||||
0.95,
|
||||
0.99,
|
||||
1.03,
|
||||
1.05,
|
||||
1.07,
|
||||
1.08,
|
||||
1.10,
|
||||
1.08,
|
||||
1.08,
|
||||
1.08,
|
||||
1.08,
|
||||
1.09,
|
||||
1.09,
|
||||
1.10,
|
||||
1.11,
|
||||
1.12,
|
||||
1.13,
|
||||
1.14,
|
||||
1.15,
|
||||
1.17,
|
||||
1.20,
|
||||
1.18,
|
||||
1.17,
|
||||
1.17,
|
||||
1.16,
|
||||
1.16,
|
||||
1.16,
|
||||
1.16,
|
||||
1.16,
|
||||
1.16,
|
||||
1.16};
|
||||
#endif
|
||||
652
srim.cpp
Normal file
652
srim.cpp
Normal file
|
|
@ -0,0 +1,652 @@
|
|||
#include "srim.h"
|
||||
#include <cmath>
|
||||
#include <algorithm>
|
||||
namespace catima{
|
||||
/**
|
||||
* return SRIM proton stopping power
|
||||
* @param Z - proton number of material
|
||||
* @param energy - energy per nuclein in MeV/u
|
||||
*/
|
||||
|
||||
double p_se(int Z, double energy){
|
||||
double sp = -1;
|
||||
double e = 1000*energy; //e in keV/u
|
||||
int i = Z - 1;
|
||||
if(Z>92){ // dealing with trans-U where no Srim data
|
||||
i = 91;
|
||||
}
|
||||
if(e<=25)e=25;
|
||||
double sl = (pse_95[i][0]*std::pow(e,pse_95[i][1])) + (pse_95[i][2]*std::pow(e,pse_95[i][3]));
|
||||
double sh = pse_95[i][4]/std::pow(e,pse_95[i][5]) * std::log( (pse_95[i][6]/e) + (pse_95[i][7]*e));
|
||||
sp = sl*sh/(sl+sh);
|
||||
e=1000*energy;
|
||||
if(e<=25){
|
||||
sp *=(Z>6)?std::pow(e/25.0,0.45):std::pow(e/25.0,0.25);
|
||||
}
|
||||
|
||||
return sp;
|
||||
};
|
||||
/**
|
||||
* return SRIM proton stopping power
|
||||
* @param Z - proton number of material
|
||||
* @param energy - energy per nuclein in MeV/u
|
||||
*/
|
||||
double p_se85(int Z, double energy){
|
||||
double sp = -1;
|
||||
double e = 1000*energy; //e in keV/u
|
||||
int i = Z - 1;
|
||||
if(Z>92){ // dealing with trans-U where no Srim data
|
||||
i = 91;
|
||||
}
|
||||
if(e<=25)e=25;
|
||||
double sl = (proton_stopping_coef[i][0]*std::pow(e,proton_stopping_coef[i][1])) + (proton_stopping_coef[i][2]*std::pow(e,proton_stopping_coef[i][3]));
|
||||
double sh = proton_stopping_coef[i][4]/std::pow(e,proton_stopping_coef[i][5]) * std::log( (proton_stopping_coef[i][6]/e) + (proton_stopping_coef[i][7]*e));
|
||||
sp = sl*sh/(sl+sh);
|
||||
e=1000*energy;
|
||||
if(e<=25){
|
||||
sp *=(Z>6)?std::pow(e/25.0,0.45):std::pow(e/25.0,0.25);
|
||||
}
|
||||
|
||||
return sp;
|
||||
};
|
||||
|
||||
/**
|
||||
* return srim stopping power
|
||||
* @param pZ - projectile Z
|
||||
* @param pZ - material Z
|
||||
* @param energy - projectile energy in MeV/u unit
|
||||
*/
|
||||
double srim_dedx_e(int pZ, int tZ, double energy, bool use_new){
|
||||
double e=energy*1000; // e in keV/u
|
||||
double se = 0;
|
||||
double (*const fp_se)(int, double) = (use_new)?p_se:p_se85;
|
||||
// double (*const fp_se)(int, double) = p_se85;
|
||||
if(pZ==1){
|
||||
return (*fp_se)(tZ, energy);
|
||||
}
|
||||
else if(pZ == 2){
|
||||
double a=0;
|
||||
double b=0;
|
||||
|
||||
if(e<=1)e=1;
|
||||
// He Zeff
|
||||
b = log(e);
|
||||
a = 0.2865 + b*(0.1266+ b*(-0.001429+ b*(0.02402 + b*(-0.01135 + b*0.001475))));
|
||||
double heh = 1.0 - exp(-std::min(30.,a));
|
||||
b = 7.6 - std::max(0., b);
|
||||
a = (1.0 + (0.007 + 0.00005*tZ)*exp(- b*b ));
|
||||
heh *= a*a;
|
||||
//zeta = sqrt(heh);
|
||||
se = (*fp_se)(tZ, energy)*heh*4.0; //scale proton stopping
|
||||
if(e==1)se*= sqrt(e); //vel proportional
|
||||
return se;
|
||||
}
|
||||
else{ // heavy ion
|
||||
double h1,h4;
|
||||
double a,q,b;
|
||||
double l1,l0,l;
|
||||
double YRmin = 0.130; // YRmin = VR / ZP**0.67 <= 0.13 OR VR <= 1.0
|
||||
double VRmin = 1.0;
|
||||
double v=0;
|
||||
double vfermi;
|
||||
double yr=0;
|
||||
double zeta = 0;
|
||||
double se;
|
||||
int i;
|
||||
|
||||
i = tZ - 1;
|
||||
if(tZ>92){
|
||||
i = 91;
|
||||
}
|
||||
vfermi = atima_vfermi[i];
|
||||
|
||||
v = sqrt(e/25.0)/vfermi;
|
||||
double v2=v*v;
|
||||
|
||||
double vr = (v >= 1)? v*vfermi*(1.+ 1./(5.*v2)) : 3.0*vfermi/4.0*(1.0+v2*(2.0/3.0-v2/15.0));
|
||||
|
||||
h1= 1./std::pow(pZ,0.6667);
|
||||
yr = std::max(YRmin,vr*h1);
|
||||
yr = std::max(yr, VRmin*h1);
|
||||
|
||||
//-- CALCULATE ZEFF
|
||||
a = -0.803*std::pow(yr,0.3) + 1.3167*std::pow(yr,0.6) + 0.38157*yr + 0.008983*yr*yr;
|
||||
q = std::min(1.0, std::max(0.0 , (1.0 - exp(-std::min(a, 50.0))))); //-- Q = IONIZATION LEVEL OF THE ION AT RELATIVE VELOCITY YR
|
||||
|
||||
//-- IONIZATION LEVEL TO EFFECTIVE CHARGE
|
||||
h1 = 1./ std::pow(pZ,0.3333);
|
||||
|
||||
b = (std::min(0.43, std::max(0.32,0.12 + 0.025*pZ)))*h1;
|
||||
l0 = (.8 - q * std::min(1.2,0.6 +pZ/30.0))*h1;
|
||||
if(q < 0.2){
|
||||
l1 = 0;
|
||||
}
|
||||
else{
|
||||
if (q < std::max(0.0,0.9-0.025*pZ)){
|
||||
l1 = b*(q-0.2)/fabs(std::max(0.0,0.9-0.025*pZ)-0.2000001);
|
||||
}
|
||||
else{
|
||||
if(q < std::max(0.0,1.0 - 0.025*std::min(16.,(double)pZ))) l1 = b;
|
||||
else l1 = b*(1.0 - q)/(0.025*std::min(16.,(double)pZ));
|
||||
}
|
||||
}
|
||||
// calculate screening
|
||||
i = (pZ>92)?91:pZ-1;
|
||||
l = std::max(l1,l0*atima_lambda_screening[i]);
|
||||
h1 =4.0*l*vfermi/1.919;
|
||||
zeta = q + (1./(2.*(vfermi*vfermi)))*(1. - q)* log(1. + h1*h1);
|
||||
// ZP**3 EFFECT AS IN REF. 779?
|
||||
a = 7.6 - std::max(0.0, log(e));
|
||||
zeta = zeta*(1. + (1./(pZ*pZ))*(0.18 + .0015*tZ)*exp(-a*a));
|
||||
h1= 1./std::pow(pZ,0.6667);
|
||||
if (yr <= ( std::max(YRmin, VRmin*h1))){
|
||||
VRmin=std::max(VRmin, YRmin/h1);
|
||||
//--C ..CALCULATE VELOCITY STOPPING FOR YR < YRmin
|
||||
double vmin =.5*(VRmin + sqrt(std::max(0.0,VRmin*VRmin - .8*vfermi*vfermi)));
|
||||
double eee = 25.0*vmin*vmin;
|
||||
double eval = 1;
|
||||
// if((tZ == 6) || (((tZ == 14) || (tZ == 32)) && (pZ <= 19))) eval = 0.375;
|
||||
if((tZ == 6) || (((tZ == 14) || (tZ == 32)) && (pZ <= 19))) eval = 0.35;
|
||||
else eval = 0.5;
|
||||
|
||||
h1 = zeta *pZ;
|
||||
h4 = std::pow(e / eee,eval);
|
||||
se = (*fp_se)(tZ, eee*0.001) * h1*h1*h4;
|
||||
return se;
|
||||
}
|
||||
else {
|
||||
return (*fp_se)(tZ,energy)*std::pow(zeta*pZ,2.0);
|
||||
}
|
||||
return 0;
|
||||
}
|
||||
};
|
||||
|
||||
const double pse_95[92][8] = {
|
||||
//H
|
||||
{0.0128116,0.00533047,0.651042,0.531902,1959.01,1.1887,598.263,0.00954514},
|
||||
//He
|
||||
{0.311787,0.00499529,0.118546,0.920917,984.843,1.08223,554.388,0.0505072},
|
||||
//Li
|
||||
{0.644503,0.00500368,0.866544,0.567488,962.9,1.01566,1620.34,0.0237767},
|
||||
//Be
|
||||
{0.953561,0.00507406,1.3045,0.5903,1945.12,1.05703,326.951,0.0130441},
|
||||
//B
|
||||
{1.53151,0.0048852,2.5676,0.423246,1738.88,1.03208,1829.42,0.0200331},
|
||||
//C
|
||||
{2.40289,0.00491497,2.49101,0.414939,1858.36,1.01581,2504.17,0.0181984},
|
||||
//N
|
||||
{3.31007,0.00495744,0.540621,0.77994,1104.15,0.967848,2235.35,0.0531612},
|
||||
//O
|
||||
{0.972706,0.0050039,1.35102,0.5498,1254.28,0.968356,5093.2,0.0536453},
|
||||
//F
|
||||
{0.690408,0.00462723,0.326749,1.1052,1301.9,0.943525,47.0373,0.0280245},
|
||||
//Ne
|
||||
{0.281235,0.00459698,0.52563,0.878183,1158.3,0.938564,10.1606,0.0414147},
|
||||
//Na
|
||||
{2.15352,0.00440847,2.30923,0.606001,1332.24,0.943478,735.116,0.0577231},
|
||||
//Mg
|
||||
{3.42983,0.00436897,2.39377,0.554737,1140.29,0.929844,2107.48,0.0789342},
|
||||
//Al
|
||||
{0.0389096,0.00454168,4.27975,0.478838,1316.42,0.934106,565.574,0.052722},
|
||||
//Si
|
||||
{1.33101,0.00443533,1.52262,0.775843,1227.02,0.914146,1091.17,0.0444972},
|
||||
//P
|
||||
{5.78119,0.00398281,0.324072,1.22769,673.459,0.865731,123.619,0.182036},
|
||||
//S
|
||||
{0.611741,0.00446376,3.38101,0.542907,1160.67,0.912049,14031.2,0.087705},
|
||||
//Cl
|
||||
{1.15307,0.00447333,4.20464,0.538231,1301.13,0.902702,4923.01,0.0525717},
|
||||
//Ar
|
||||
{1.70408,0.00447609,2.75072,0.583835,2713.93,0.953183,2035.79,0.0146897},
|
||||
//K
|
||||
{2.60265,0.00432185,1.56811,0.864656,556.393,0.84475,120.01,0.962648},
|
||||
//Ca
|
||||
{0.536555,0.00440846,3.22706,0.602927,500.851,0.83345,1766.39,2.02699},
|
||||
//Sc
|
||||
{1.7187,0.00436934,4.60285,0.516212,1601.6,0.914664,6341.68,0.0629243},
|
||||
//Ti
|
||||
{0.146403,0.00484558,5.54014,0.455903,1763.46,0.919014,3951.93,0.0550341},
|
||||
//V
|
||||
{4.21238,0.0040013,3.79858,0.482892,2416.97,0.936204,7735.96,0.0289635},
|
||||
//Cr
|
||||
{0.697881,0.00430794,2.2863,0.784069,967.872,0.857874,17.8526,0.111149},
|
||||
//Mn
|
||||
{0.592743,0.00431334,1.40625,0.968261,1426.42,0.881488,14.4002,0.0424183},
|
||||
//Fe
|
||||
{0.0283155,0.00354506,0.564961,1.24111,1527.81,0.881848,25.9497,0.0354067},
|
||||
//Co
|
||||
{0.269545,0.00432088,2.24249,0.764706,1243.91,0.867051,23.4911,0.0604457},
|
||||
//Ni
|
||||
{3.68234,0.00437139,1.52146,0.736656,1470.86,0.874909,251.685,0.0428115},
|
||||
//Cu
|
||||
{2.15403,0.00432278,2.6939,0.523003,1717.27,0.893617,2099.38,0.0525222},
|
||||
//Zn
|
||||
{0.531847,0.00382833,0.675606,1.06647,1008.48,0.826099,35.8939,0.0419818},
|
||||
//Ga
|
||||
{6.91973,0.00401198,0.522284,0.974708,899.033,0.821636,371.581,0.0738361},
|
||||
//Ge
|
||||
{1.80976,0.00448896,5.6612,0.418493,1558.21,0.870542,1756.05,0.0605859},
|
||||
//As
|
||||
{1.64641,0.00430255,5.12108,0.516356,1020.24,0.832723,2202.77,0.0846531},
|
||||
//Se
|
||||
{4.0715,0.00429051,3.33803,0.543517,2606.26,0.903072,1089.74,0.0181133},
|
||||
//Br
|
||||
{1.99798,0.00429503,3.23907,0.593111,4645.72,0.947444,640.841,0.0096946},
|
||||
//Kr
|
||||
{5.08884,0.0042563,1.43,0.722156,7087.78,0.979865,762.818,0.00604351},
|
||||
//Rb
|
||||
{0.62637,0.00413189,0.0666229,2.65318,1074.6,0.814706,8.69523,0.0504427},
|
||||
//Sr
|
||||
{5.04987,0.00393427,4.95613,0.527062,1886.17,0.868672,4817.65,0.0349423},
|
||||
//Y
|
||||
{1.17376,0.00421587,5.93823,0.49052,1556.91,0.849851,7821.93,0.0434207},
|
||||
//Zr
|
||||
{7.26083,0.00419413,5.93121,0.447579,4687.69,0.939722,2446.36,0.0101526},
|
||||
//Nb
|
||||
{0.351621,0.00412551,1.33637,1.28649,1495.35,0.850544,12.7864,0.0471084},
|
||||
//Mo
|
||||
{0.0179112,0.00417066,1.16601,1.18837,1260.27,0.825733,12.9721,0.0482827},
|
||||
//Tc
|
||||
{3.72287,0.00417681,4.6286,0.567689,1678.02,0.86202,3093.95,0.0624402},
|
||||
//Ru
|
||||
{0.0179112,0.00417066,1.16601,1.18837,1260.27,0.825733,12.9721,0.0482827},
|
||||
//Rh
|
||||
{0.307959,0.00414183,0.545099,1.36766,1499.06,0.836456,26.5156,0.0382323},
|
||||
//Pd
|
||||
{0.813324,0.00421976,5.48878,0.621228,1491.47,0.843298,17.0197,0.0633415},
|
||||
//Ag
|
||||
{2.89508,0.00420494,5.30021,0.458632,1380.77,0.835929,13156.5,0.07682},
|
||||
//Cd
|
||||
{3.47169,0.0041344,3.23372,0.637885,1116.36,0.819589,4766.03,0.117895},
|
||||
//In
|
||||
{2.28576,0.00422582,3.48478,0.625713,804.033,0.79599,8953.57,0.302479},
|
||||
//Sn
|
||||
{4.70915,0.00409414,3.88322,0.582491,1031.4,0.815544,13300.4,0.167355},
|
||||
//Sb
|
||||
{7.35883,0.00438746,3.2273,0.693616,1364.65,0.832171,1512.36,0.0787703},
|
||||
//Te
|
||||
{1.20379,0.00421476,4.65732,0.615557,857.568,0.794208,5814.37,0.255765},
|
||||
//I
|
||||
{4.21323,0.00420978,4.67533,0.579451,3503.93,0.892614,1468.87,0.014359},
|
||||
//Xe
|
||||
{10.0615,0.00391035,0.364002,1.20347,1539.97,0.821892,1424.28,0.0402424},
|
||||
//Cs
|
||||
{0.373157,0.00364035,2.26519,1.151,1675.29,0.837764,13.0656,0.0516993},
|
||||
//Ba
|
||||
{4.82483,0.00414578,6.09343,0.570256,2300.11,0.863588,2980.72,0.0386788},
|
||||
//La
|
||||
{0.574872,0.00410857,2.76314,0.878406,654.727,0.777081,460.584,0.963426},
|
||||
//Ce
|
||||
{3.27544,0.00421774,5.76803,0.54054,6631.29,0.942817,744.066,0.00830259},
|
||||
//Pr
|
||||
{2.99783,0.00409014,4.52986,0.620247,2161.15,0.856688,1268.59,0.0430305},
|
||||
//Nd
|
||||
{3.02248,0.00410313,3.16182,0.750444,687.321,0.765038,363.38,0.389438},
|
||||
//Pm
|
||||
{3.5655,0.00411367,6.01196,0.521709,1830.02,0.838996,3661.99,0.0575667},
|
||||
//Sm
|
||||
{3.64072,0.0041782,4.87424,0.578614,1267.7,0.822111,3508.17,0.241737},
|
||||
//Eu
|
||||
{0.542525,0.00412806,4.33656,0.639323,1107.85,0.788122,352.321,0.0946601},
|
||||
//Gd
|
||||
{7.54702,0.00408134,4.92913,0.507107,2565.83,0.861877,3299.96,0.031273},
|
||||
//Tb
|
||||
{4.43006,0.00419028,5.3921,0.508608,3605.27,0.885038,1687.86,0.0164866},
|
||||
//Dy
|
||||
{4.31706,0.00406269,3.55237,0.572971,2138.74,0.839174,3204.35,0.029471},
|
||||
//Ho
|
||||
{2.73097,0.00402842,3.1059,0.645438,1802.36,0.820889,691.941,0.0306839},
|
||||
//Er
|
||||
{1.27982,0.00405535,4.63018,0.573846,1595.12,0.816419,1067.28,0.0552321},
|
||||
//Tm
|
||||
{5.75613,0.00404905,4.357,0.524956,2207.32,0.837956,1579.51,0.027165},
|
||||
//Yb
|
||||
{9.2061,0.00403636,3.37689,0.572174,3660.35,0.868034,1191.14,0.00953995},
|
||||
//Lu
|
||||
{8.23962,0.00404348,3.83028,0.534511,4357.71,0.882431,1524.26,0.00786437},
|
||||
//Hf
|
||||
{3.06189,0.00405111,3.5803,0.59082,2346.1,0.837132,1221.99,0.0200717},
|
||||
//Ta
|
||||
{7.99485,0.00329576,1.26335,0.777934,1804.13,0.8124,1266.3,0.0263526},
|
||||
//W
|
||||
{6.48326,0.00414609,0.776185,1.08393,250.557,0.643106,177.277,0.898821},
|
||||
//Re
|
||||
{0.620494,0.00403017,2.53792,0.677642,727.918,0.74834,117.069,0.201369},
|
||||
//Os
|
||||
{0.551045,0.00402571,2.70928,0.68387,1089.46,0.777755,1088.3,0.0810305},
|
||||
//Ir
|
||||
{1.26011,0.00404797,3.57127,0.525416,2613.09,0.853001,2155.71,0.0282139},
|
||||
//Pt
|
||||
{3.20857,0.00405101,3.66577,0.536178,3091.16,0.856024,1508.12,0.0154014},
|
||||
//Au
|
||||
{1.04066,0.00405071,5.61035,0.439133,3646.13,0.869259,2878.4,0.0139437},
|
||||
//Hg
|
||||
{1.04586,0.00405038,5.38433,0.445067,3717.15,0.87031,2907.28,0.0132933},
|
||||
//Tl
|
||||
{3.15124,0.00405235,4.09956,0.542499,3246.31,0.857723,1691.77,0.0150581},
|
||||
//Pb
|
||||
{3.06995,0.00405334,6.62045,0.452822,3380.58,0.860267,2638.56,0.0153938},
|
||||
//Bi
|
||||
{3.84541,0.00406028,8.7792,0.442301,2721.99,0.843866,2513.15,0.0228962},
|
||||
//Po
|
||||
{4.36117,0.00405648,8.18512,0.43626,3113.58,0.852235,3001.79,0.0172051},
|
||||
//At
|
||||
{4.36117,0.00405648,8.18512,0.43626,3113.58,0.852235,3001.79,0.0172051},
|
||||
//Rn
|
||||
{3.222,0.00400409,5.90236,0.526779,4040.15,0.868037,1658.35,0.0117469},
|
||||
//Fr
|
||||
{9.34124,0.00396606,7.92099,0.429769,5180.9,0.887726,2173.16,0.0092007},
|
||||
//Ra
|
||||
{6.28686,0.00396735,5.81778,0.535859,4866.43,0.884427,2257.34,0.0105815},
|
||||
//Ac
|
||||
{5.92839,0.00396948,6.40824,0.521225,4619.51,0.880827,2323.52,0.0116274},
|
||||
//Th
|
||||
{5.24536,0.0039744,6.79689,0.485424,4586.31,0.877944,2481.5,0.0112824},
|
||||
//Pa
|
||||
{2.77047,0.00398192,3.55107,0.638231,2516.88,0.829309,2155.59,0.0231207},
|
||||
//U
|
||||
{2.78483,0.00398116,3.32988,0.647983,2662.77,0.83678,2337.43,0.024074}
|
||||
};
|
||||
|
||||
//constexpr double hps[92][4] = {
|
||||
//skipHPS_COEFFICIENTS//
|
||||
//}
|
||||
|
||||
//constexpr double v_fermi[92] = {
|
||||
//skipV_FERMI//
|
||||
//}
|
||||
|
||||
//constexpr double v_fermi_correction[92][15] = {
|
||||
//skipV_FERMI_CORRECTIONS//
|
||||
//}
|
||||
|
||||
//constexpr double lambda_screening[92][19] = {
|
||||
//skipLAMBDA_SCREENING//
|
||||
//}
|
||||
|
||||
const double atima_lambda_screening[92]= {
|
||||
1.00,
|
||||
1.00,
|
||||
1.10,
|
||||
1.06,
|
||||
1.01,
|
||||
1.03,
|
||||
1.04,
|
||||
0.99,
|
||||
0.95,
|
||||
0.90,
|
||||
0.82,
|
||||
0.81,
|
||||
0.83,
|
||||
0.88,
|
||||
1.00,
|
||||
0.95,
|
||||
0.97,
|
||||
0.99,
|
||||
0.98,
|
||||
0.97,
|
||||
0.98,
|
||||
0.97,
|
||||
0.96,
|
||||
0.93,
|
||||
0.91,
|
||||
0.9,
|
||||
0.88,
|
||||
0.9,
|
||||
0.9,
|
||||
0.9,
|
||||
0.9,
|
||||
0.85,
|
||||
0.9,
|
||||
0.9,
|
||||
0.91,
|
||||
0.92,
|
||||
0.9,
|
||||
0.9,
|
||||
0.9,
|
||||
0.9,
|
||||
0.9,
|
||||
0.88,
|
||||
0.9,
|
||||
0.88,
|
||||
0.88,
|
||||
0.9,
|
||||
0.9,
|
||||
0.88,
|
||||
0.9,
|
||||
0.9,
|
||||
0.9,
|
||||
0.9,
|
||||
0.96,
|
||||
1.2,
|
||||
0.9,
|
||||
0.88,
|
||||
0.88,
|
||||
0.85,
|
||||
0.90,
|
||||
0.90,
|
||||
0.92,
|
||||
0.95,
|
||||
0.99,
|
||||
1.03,
|
||||
1.05,
|
||||
1.07,
|
||||
1.08,
|
||||
1.10,
|
||||
1.08,
|
||||
1.08,
|
||||
1.08,
|
||||
1.08,
|
||||
1.09,
|
||||
1.09,
|
||||
1.10,
|
||||
1.11,
|
||||
1.12,
|
||||
1.13,
|
||||
1.14,
|
||||
1.15,
|
||||
1.17,
|
||||
1.20,
|
||||
1.18,
|
||||
1.17,
|
||||
1.17,
|
||||
1.16,
|
||||
1.16,
|
||||
1.16,
|
||||
1.16,
|
||||
1.16,
|
||||
1.16,
|
||||
1.16};
|
||||
|
||||
|
||||
// this is take from atima
|
||||
const double proton_stopping_coef[92][8] = { // proton in material stopping coefficient
|
||||
{ .0091827, .0053496, .69741, .48493, 316.07,1.0143, 9329.3, .0539890}, //H
|
||||
{ .11393, .0051984, 1.0822, .39252, 1081.0, 1.0645, 4068.5, .0176990}, //He
|
||||
{ .85837, .0050147, 1.6044, .38844, 1337.3, 1.0470, 2659.2, .01898},
|
||||
{ .8781, .0051049, 5.4232, .2032, 1200.6, 1.0211, 1401.8, .0385290},
|
||||
{ 1.4608, .0048836, 2.338, .44249, 1801.3, 1.0352, 1784.1, .02024},
|
||||
{ 3.2579, .0049148, 2.7156, .36473, 2092.2, 1.0291, 2643.6, .0182370}, //C
|
||||
{ .59674, .0050837, 4.2073, .30612, 2394.2, 1.0255, 4892.1, .0160060},
|
||||
{ .75253, .0050314, 4.0824, .30067, 2455.8, 1.0181, 5069.7, .0174260}, //O
|
||||
{ 1.226, .0051385, 3.2246, .32703, 2525.0, 1.0142, 7563.6, .0194690},
|
||||
{ 1.0332, .0051645, 3.004, .33889, 2338.6, .99997, 6991.2, .0217990}, //Ne
|
||||
{ 6.0972, .0044292, 3.1929, .45763, 1363.3, .95182, 2380.6, .0818350},
|
||||
{14.013, .0043646, 2.2641, .36326, 2187.4, .99098, 6264.8, .0462},
|
||||
{ .039001, .0045415, 5.5463, .39562, 1589.2, .95316, 816.16, .0474840},
|
||||
{ 2.072, .0044516, 3.5585, .53933, 1515.2, .93161, 1790.3, .0351980},
|
||||
{17.575, .0038346, .078694, 1.2388,2806.0, .97284, 1037.6, .0128790},
|
||||
{16.126, .0038315, .054164, 1.3104,2813.3, .96587, 1251.4, .0118470},
|
||||
{ 3.217, .0044579, 3.6696, .5091, 2734.6, .96253, 2187.5, .0169070},
|
||||
{ 2.0379, .0044775, 3.0743, .54773, 3505.0, .97575, 1714.00, .0117010},
|
||||
{ .74171, .0043051, 1.1515, .95083, 917.21, .8782, 389.93, .18926},
|
||||
{ 9.1316, .0043809, 5.4611, .31327, 3891.8, .97933, 6267.9, .0151960}, //Ca
|
||||
{ 7.2247, .0043718, 6.1017, .37511, 2829.2, .95218, 6376.1, .0203980},
|
||||
{ .147, .0048456, 6.3485, .41057, 2164.1, .94028, 5292.6, .0502630},
|
||||
{ 5.0611, .0039867, 2.6174, .57957, 2218.9, .92361, 6323.00, .0256690},
|
||||
{ .53267, .0042968, .39005, 1.2725, 1872.7, .90776, 64.166, .0301070},
|
||||
{ .47697, .0043038, .31452, 1.3289, 1920.5, .90649, 45.576, .0274690},
|
||||
{ .027426, .0035443, .031563, 2.1755, 1919.5, .90099, 23.902, .0253630},
|
||||
{ .16383, .0043042, .073454, 1.8592, 1918.4, .89678, 27.61, .0231840},
|
||||
{ 4.2562, .0043737, 1.5606, .72067, 1546.8, .87958, 302.02, .0409440}, //Ni
|
||||
{ 2.3508, .0043237, 2.882, .50113, 1837.7, .89992, 2377.00, .04965},
|
||||
{ 3.1095, .0038455, .11477, 1.5037, 2184.7, .89309, 67.306, .0165880},
|
||||
{15.322, .0040306, .65391, .67668, 3001.7, .92484, 3344.2, .0163660},
|
||||
{ 3.6932, .0044813, 8.608, .27638, 2982.7, .9276, 3166.6, .0308740},
|
||||
{ 7.1373, .0043134, 9.4247, .27937, 2725.8, .91597, 3166.1, .0250080},
|
||||
{ 4.8979, .0042937, 3.7793, .50004, 2824.5, .91028, 1282.4, .0170610},
|
||||
{ 1.3683, .0043024, 2.5679, .60822, 6907.8, .9817, 628.01, .0068055},
|
||||
{ 1.8301, .0042983, 2.9057, .6038, 4744.6, .94722, 936.64, .0092242},
|
||||
{ .42056, .0041169, .01695, 2.3616, 2252.7, .89192, 39.752, .0277570},
|
||||
{30.78, .0037736, .55813, .76816, 7113.2, .97697, 1604.4, .0065268},
|
||||
{11.576, .0042119, 7.0244, .37764, 4713.5, .94264, 2493.2, .01127},
|
||||
{ 6.2406, .0041916, 5.2701, .49453, 4234.6, .93232, 2063.9, .0118440},
|
||||
{ .33073, .0041243, 1.7246, 1.1062, 1930.2, .86907, 27.416, .0382080},
|
||||
{ .017747, .0041715, .14586, 1.7305,1803.6, .86315, 29.669, .0321230},
|
||||
{ 3.7229, .0041768, 4.6286, .56769, 1678.0, .86202, 3094.00, .06244},
|
||||
{ .13998, .0041329, .25573, 1.4241, 1919.3, .86326, 72.797, .0322350},
|
||||
{ .2859, .0041386, .31301, 1.3424, 1954.8, .86175, 115.18, .0293420},
|
||||
{ .76, .0042179, 3.386, .76285, 1867.4, .85805, 69.994, .0364480},
|
||||
{ 6.3957, .0041935, 5.4689, .41378, 1712.6, .85397,18493.00, .0564710},
|
||||
{ 3.4717, .0041344, 3.2337, .63788, 1116.4, .81959, 4766.0, .1179},
|
||||
{ 2.5265, .0042282, 4.532, .53562, 1030.8, .81652,16252.0, .19722},
|
||||
{ 7.3683, .0041007, 4.6791, .51428, 1160.0, .82454,17965.0, .13316},
|
||||
{ 7.7197, .004388, 3.242, .68434, 1428.1, .83398, 1786.7, .0665120},
|
||||
{16.78, .0041918, 9.3198, .29568, 3370.9, .90289, 7431.7, .02616},
|
||||
{ 4.2132, .0042098, 4.6753, .57945, 3503.9, .89261, 1468.9, .0143590},
|
||||
{ 4.0818, .004214, 4.4425, .58393, 3945.3, .90281, 1340.5, .0134140}, //Xe
|
||||
{.18517, .0036215, .00058788,3.5315, 2931.3, .88936, 26.18, .0263930},
|
||||
{ 4.8248, .0041458, 6.0934, .57026, 2300.1, .86359, 2980.7, .0386790},
|
||||
{ .49857, .0041054, 1.9775, .95877, 786.55, .78509, 806.6, .40882},
|
||||
{ 3.2754, .0042177, 5.768, .54054, 6631.3, .94282, 744.07, .0083026},
|
||||
{ 2.9978, .0040901, 4.5299, .62025, 2161.2, .85669, 1268.6, .0430310},
|
||||
{ 2.8701, .004096, 4.2568, .6138, 2130.4, .85235, 1704.1, .0393850},
|
||||
{10.853, .0041149, 5.8907, .46834, 2857.2, .8755, 3654.2, .0299550},
|
||||
{ 3.6407, .0041782, 4.8742, .57861, 1267.7, .82211, 3508.2, .24174},
|
||||
{17.645, .0040992, 6.5855, .32734, 3931.3, .90754, 5156.7, .0362780},
|
||||
{ 7.5309, .0040814, 4.9389, .50679, 2519.7, .85819, 3314.6, .0305140},
|
||||
{ 5.4742, .0040829, 4.897, .51113, 2340.1, .85296, 2342.7, .0356620},
|
||||
{ 4.2661, .0040667, 4.5032, .55257, 2076.4, .84151, 1666.6, .0408010},
|
||||
{ 6.8313, .0040486, 4.3987, .51675, 2003.0, .83437, 1410.4, .03478},
|
||||
{ 1.2707, .0040553, 4.6295, .57428, 1626.3, .81858, 995.68, .0553190},
|
||||
{ 5.7561, .0040491, 4.357, .52496, 2207.3, .83796, 1579.5, .0271650},
|
||||
{14.127, .0040596, 5.8304, .37755, 3645.9, .87823, 3411.8, .0163920},
|
||||
{ 6.6948, .0040603, 4.9361, .47961, 2719.0, .85249, 1885.8, .0197130},
|
||||
{ 3.0619, .0040511, 3.5803, .59082, 2346.1, .83713, 1222.0, .0200720},
|
||||
{10.811, .0033008, 1.3767, .76512, 2003.7, .82269, 1110.6, .0249580},
|
||||
{ 2.7101, .0040961, 1.2289, .98598, 1232.4, .79066, 155.42, .0472940},
|
||||
{ .52345, .0040244, 1.4038, .8551, 1461.4, .79677, 503.34, .0367890},
|
||||
{ .4616, .0040203, 1.3014, .87043, 1473.5, .79687, 443.09, .0363010},
|
||||
{ .97814, .0040374, 2.0127, .7225, 1890.8, .81747, 930.7, .02769},
|
||||
{ 3.2086, .004051, 3.6658, .53618, 3091.2, .85602, 1508.1, .0154010},
|
||||
{ 2.0035, .0040431, 7.4882, .3561, 4464.3, .88836, 3966.5, .0128390},
|
||||
{15.43, .0039432, 1.1237, .70703, 4595.7, .88437, 1576.5, .0088534},
|
||||
{ 3.1512, .0040524, 4.0996, .5425, 3246.3, .85772, 1691.8, .0150580},
|
||||
{ 7.1896, .0040588, 8.6927, .35842, 4760.6, .88833, 2888.3, .0110290}, //Pb
|
||||
{ 9.3209, .004054, 11.543, .32027, 4866.2, .89124, 3213.4, .0119350},
|
||||
{29.242, .0036195, .16864, 1.1226, 5688.0, .89812, 1033.3, .0071303},
|
||||
{ 1.8522, .0039973, 3.1556, .65096, 3755.0, .86383, 1602.0, .0120420},
|
||||
{ 3.222, .0040041, 5.9024, .52678, 4040.2, .86804, 1658.4, .0117470},
|
||||
{ 9.3412, .0039661, 7.921, .42977, 5180.9, .88773, 2173.2, .0092007},
|
||||
{36.183, .0036003, .58341, .86747, 6990.2, .91082, 1417.1, .0062187},
|
||||
{ 5.9284, .0039695, 6.4082, .52122, 4619.5, .88083, 2323.5, .0116270},
|
||||
{ 5.2454, .0039744, 6.7969, .48542, 4586.3, .87794, 2481.5, .0112820},
|
||||
{33.702, .0036901, .47257, .89235, 5295.7, .8893, 2053.3, .0091908},
|
||||
{2.7589, .0039806, 3.2092, .66122, 2505.4, .82863, 2065.1, .0228160} //U
|
||||
};
|
||||
|
||||
const double atima_vfermi[92] = {
|
||||
1.0309,
|
||||
0.15976,
|
||||
0.59782,
|
||||
1.0781,
|
||||
1.0486,
|
||||
1.00,
|
||||
1.058,
|
||||
0.93942,
|
||||
0.74562,
|
||||
0.3424,
|
||||
0.45259,
|
||||
0.71074,
|
||||
0.90519,
|
||||
0.97411,
|
||||
0.97184,
|
||||
0.89852,
|
||||
0.70827,
|
||||
0.39816,
|
||||
0.36552,
|
||||
0.62712,
|
||||
0.81707,
|
||||
0.9943,
|
||||
1.1423,
|
||||
1.2381,
|
||||
1.1222,
|
||||
0.92705,
|
||||
1.0047,
|
||||
1.2,
|
||||
1.0661,
|
||||
0.97411,
|
||||
0.84912,
|
||||
0.95,
|
||||
1.0903,
|
||||
1.0429,
|
||||
0.49715,
|
||||
0.37755,
|
||||
0.35211,
|
||||
0.57801,
|
||||
0.77773,
|
||||
1.0207,
|
||||
1.029,
|
||||
1.2542,
|
||||
1.122,
|
||||
1.1241,
|
||||
1.0882,
|
||||
1.2709,
|
||||
1.2542,
|
||||
0.90094,
|
||||
0.74093,
|
||||
0.86054,
|
||||
0.93155,
|
||||
1.0047,
|
||||
0.55379,
|
||||
0.43289,
|
||||
0.32636,
|
||||
0.5131,
|
||||
0.6950,
|
||||
0.72591,
|
||||
0.71202,
|
||||
0.67413,
|
||||
0.71418,
|
||||
0.71453,
|
||||
0.5911,
|
||||
0.70263,
|
||||
0.68049,
|
||||
0.68203,
|
||||
0.68121,
|
||||
0.68532,
|
||||
0.68715,
|
||||
0.61884,
|
||||
0.71801,
|
||||
0.83048,
|
||||
1.1222,
|
||||
1.2381,
|
||||
1.045,
|
||||
1.0733,
|
||||
1.0953,
|
||||
1.2381,
|
||||
1.2879,
|
||||
0.78654,
|
||||
0.66401,
|
||||
0.84912,
|
||||
0.88433,
|
||||
0.80746,
|
||||
0.43357,
|
||||
0.41923,
|
||||
0.43638,
|
||||
0.51464,
|
||||
0.73087,
|
||||
0.81065,
|
||||
1.9578,
|
||||
1.0257};
|
||||
|
||||
} // namespace catima
|
||||
25
srim.h
Normal file
25
srim.h
Normal file
|
|
@ -0,0 +1,25 @@
|
|||
|
||||
namespace catima{
|
||||
|
||||
/**
|
||||
* return srim stopping power
|
||||
* @param pZ - projectile Z
|
||||
* @param pZ - material Z
|
||||
* @param energy - projectile energy in MeV/u unit
|
||||
* @param use_v95 - use srim proton coefficient from version 95, otherwise version 85 will be used
|
||||
*/
|
||||
double srim_dedx_e(int pZ, int tZ, double energy, bool use_v95=1);
|
||||
|
||||
/**
|
||||
* return SRIM proton stopping power
|
||||
* @param Z - proton number of material
|
||||
* @param energy - energy per nuclein in MeV/u
|
||||
*/
|
||||
double p_se(int Z, double energy);
|
||||
double p_se95(int Z, double energy);
|
||||
|
||||
extern const double pse_95[92][8];
|
||||
extern const double atima_lambda_screening[92];
|
||||
extern const double atima_vfermi[92];
|
||||
extern const double proton_stopping_coef[92][8];
|
||||
}
|
||||
|
|
@ -34,36 +34,27 @@ const lest::test specification[] =
|
|||
|
||||
CASE("proton stopping power from srim"){
|
||||
catima::Projectile p{1,1,1,1};
|
||||
catima::Target he{4.002600,2};
|
||||
catima::Target carbon{12.0107,6};
|
||||
auto he = catima::get_material(2);
|
||||
auto carbon = catima::get_material(6);
|
||||
|
||||
EXPECT( catima::sezi_p_se(1,he) == approx(283,1));
|
||||
p.T = 1;
|
||||
EXPECT( catima::sezi_p_se(p.T,he) == approx(catima::sezi_dedx_e(p,he)).R(1e-6));
|
||||
|
||||
EXPECT(catima::sezi_p_se(10,he)==approx(45.6,1));
|
||||
EXPECT( catima::sezi_dedx_e(p,he) == approx(283,1));
|
||||
p.T = 10;
|
||||
EXPECT( catima::sezi_p_se(p.T,he) == approx(catima::sezi_dedx_e(p,he)).R(1e-6));
|
||||
EXPECT( catima::sezi_dedx_e(p,he) == approx(45.6,1));
|
||||
|
||||
EXPECT(catima::sezi_p_se(30,he) == approx(18.38,1));
|
||||
p.T = 30;
|
||||
EXPECT( catima::sezi_p_se(p.T,he) == approx(catima::sezi_dedx_e(p,he)).R(1e-6));
|
||||
EXPECT( catima::sezi_dedx_e(p,he) == approx(18.38,1));
|
||||
|
||||
|
||||
EXPECT( catima::sezi_p_se(1,carbon) == approx(229.5,1));
|
||||
p.T = 1;
|
||||
EXPECT( catima::sezi_p_se(p.T,carbon) == approx(catima::sezi_dedx_e(p,carbon)).R(1e-6));
|
||||
|
||||
|
||||
EXPECT( catima::sezi_p_se(10,carbon) == approx(40.8,1));
|
||||
|
||||
EXPECT(catima::sezi_p_se(30,carbon) == approx(16.8,1));
|
||||
EXPECT( catima::sezi_dedx_e(p,carbon) == approx(229.5,1));
|
||||
p.T = 10;
|
||||
EXPECT( catima::sezi_dedx_e(p,carbon) == approx(40.8,1));
|
||||
p.T = 30;
|
||||
EXPECT( catima::sezi_p_se(p.T,carbon) == approx(catima::sezi_dedx_e(p,carbon)).R(1e-6));
|
||||
EXPECT( catima::sezi_dedx_e(p,carbon) == approx(16.8,1));
|
||||
},
|
||||
CASE("dedx, low energy, from sezi"){
|
||||
catima::Projectile p{4,2,2,1};
|
||||
catima::Target carbon{12.0107,6};
|
||||
auto carbon = catima::get_material(6);
|
||||
|
||||
// He projectile case
|
||||
p.T = 1;
|
||||
|
|
|
|||
Loading…
Reference in New Issue
Block a user