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https://github.com/gwm17/catima.git
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scattering update and syncing from local
This commit is contained in:
hrocho
parent
1a13ed69d3
commit
9b6f2569c4
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@ -499,6 +499,20 @@ double angular_scattering_power(const Projectile &p, const Material &mat, double
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return Es2 * pow(p.Z,2)/(X0*pow(_p*beta,2));
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}
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double angular_scattering_power_xs(const Projectile &p, const Material &mat, double p1, double beta1, double Es2){
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if(p.T<=0)return 0.0;
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double e=p.T;
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double _p = p_from_T(e,p.A);
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double beta = _p/((e+atomic_mass_unit)*p.A);
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double pv = _p*beta;
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double p1v1 = p1*beta1;
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double Xs = scattering_length(mat);
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double cl1 = log10(1-std::pow(pv/p1v1,2));
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double cl2 = log10(pv);
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double f = 0.5244 + 0.1975*cl1 + 0.2320*cl2 - (0.0098*cl2*cl1);
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return f*Es2 * pow(p.Z,2)/(Xs*pow(_p*beta,2));
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}
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/// radiation lengths are taken from Particle Data Group 2014
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double radiation_length(int z, double m){
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double lr = 0;
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@ -547,6 +561,21 @@ double radiation_length(const Material &material){
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return 1/sum;
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}
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double scattering_length(int a, int z){
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double c = 0.00034896*z*z*(2*std::log(33219*std::pow(a*z,-1.0/3.0))-1)/a;
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return 1.0/c;
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}
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double scattering_length(const Material& material){
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double sum = 0;
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for(int i=0;i<material.ncomponents();i++){
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auto t = material.get_element(i);
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double w = material.weight_fraction(i);
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sum += w/scattering_length(t.A,t.Z);
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}
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return 1/sum;
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}
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double precalculated_lindhard(const Projectile &p){
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double T = p.T;
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@ -118,7 +118,7 @@ namespace catima{
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* @Es2 - energy constant squared, default is 14.1^2 = 198.81
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*/
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double angular_scattering_power(const Projectile &p, const Material &material, double Es2=Es2_FR);
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double angular_scattering_power_xs(const Projectile &p, const Material &mat, double p1, double beta1, double Es2=225.0);
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/**
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* returns radiation length of the (M,Z) material
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* for certain z the radiation length is tabulated, otherwise calculated
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@ -137,6 +137,14 @@ namespace catima{
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*/
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double radiation_length(const Material &material);
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/**
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* returns radiation length of the Material class
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* radiation length if calculated if not specified in Material
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* or return specified radiation length
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* @param Material - Material class
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* @return radiation length in g/cm^2
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*/
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double scattering_length(const Material &material);
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/** returns effective Z of the projectile
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* @param p - Projectile class
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81
catima.cpp
81
catima.cpp
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@ -57,16 +57,6 @@ double domega2dx(const Projectile &p, const Material &mat, const Config &c){
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return sum;
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}
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double da2dx(const Projectile &p, const Material &mat, const Config &c){
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const double Es2 = 198.81;
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return angular_scattering_power(p,mat, Es2);
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}
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double da2de(const Projectile &p, const Material &mat, const Config &c){
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return da2dx(p,mat,c)/dedx(p,mat,c);
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}
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double range(const Projectile &p, const Material &t, const Config &c){
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auto& data = _storage.Get(p,t,c);
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//Interpolator range_spline(energy_table.values,data.range.data(),energy_table.num);
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@ -118,6 +108,14 @@ double domega2de(const Projectile &p, double T, const Material &t, const Config
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spline_type range_straggling_spline = get_range_straggling_spline(data);
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return range_straggling_spline.derivative(T);
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}
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double da2dx(const Projectile &p, const Material &mat, const Config &c){
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double Es2 = 198.81;
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double f = 1.0;
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if(c.scattering == scattering_types::dhighland)Es2 = 15*15;
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if(c.scattering == scattering_types::fermi_rossi)Es2 = 15*15;
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return f*angular_scattering_power(p,mat, Es2);
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}
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/*
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double da2de(const Projectile &p, double T, const Material &t, const Config &c){
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auto& data = _storage.Get(p,t,c);
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@ -127,21 +125,56 @@ double da2de(const Projectile &p, double T, const Material &t, const Config &c){
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}
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*/
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double angular_variance(Projectile p, const Material &t, const Config &c){
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double da2de(const Projectile &p, const Material &mat, const Config &c){
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return da2dx(p,mat,c)/dedx(p,mat,c);
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}
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double Tfr(const Projectile &p, double X, double Es2){
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if(p.T<=0)return 0.0;
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double _p = p_from_T(p.T,p.A);
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double beta = _p/((p.T+atomic_mass_unit)*p.A);
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return Es2 /(X*pow(_p*beta,2));
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}
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double angular_variance(Projectile p, const Material &t, const Config &c, int order){
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const double T = p.T;
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const double p1 = p_from_T(T,p.A);
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const double beta1 = p1/((T+atomic_mass_unit)*p.A);
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auto& data = _storage.Get(p,t,c);
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spline_type range_spline = get_range_spline(data);
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auto fx0p = [&](double x)->double{
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double e =energy_out(T,x,range_spline);
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//double l = x/radiation_length(t);
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//double f = 0.97*(1+log(l)/20.7) + (1+log(l)/22.7);
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constexpr double f = 1;
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return f*da2dx(p(e), t, c);
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};
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double f = 1.0;
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double range = range_spline(T);
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double rrange = std::min(range, t.thickness());
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return f*integrator.integrate(fx0p,0, rrange);
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double rrange = std::min(range/t.density(), t.thickness_cm()); // residual range, in case of stopping inside material
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double X0 = radiation_length(t);
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double Es2 = 198.81;
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if(c.scattering == scattering_types::dhighland)Es2 = 15*15;
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if(c.scattering == scattering_types::fermi_rossi)Es2 = 15*15;
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auto fx0p = [&](double x)->double{
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double e =energy_out(T,x*t.density(),range_spline);
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double d = std::pow((rrange-x),order);
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double ff = 1;
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if(c.scattering == scattering_types::dhighland){
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double l = x*t.density()/X0;
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double lnl = log(l);
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ff = 0.97*(1+lnl/20.7)*(1+lnl/22.7);
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}
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//return d*ff*da2dx(p(e), t, c);
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return d*ff*Tfr(p(e),1, 1.0);
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};
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auto fx0p_2 = [&](double x)->double{
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double e =energy_out(T,x*t.density(),range_spline);
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double d = std::pow((rrange-x),order);
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return d*angular_scattering_power_xs(p(e),t,p1,beta1);
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};
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// corrections
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if(c.scattering == scattering_types::gottschalk){
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return integrator.integrate(fx0p_2,0, rrange)*t.density();
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}
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return integrator.integrate(fx0p,0, rrange)*t.density()*pow(p.Z,2)*Es2/X0;
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}
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double angular_straggling(Projectile p, const Material &t, const Config &c){
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@ -158,9 +191,6 @@ double angular_straggling_from_E(const Projectile &p, double T, double Tout, Mat
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double energy_straggling_from_E(const Projectile &p, double T, double Tout,const Material &t, const Config &c){
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auto& data = _storage.Get(p,t,c);
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//Interpolator range_straggling_spline(energy_table.values,data.range_straggling.data(),energy_table.num);
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//Interpolator range_spline(energy_table.values,data.range.data(),energy_table.num);
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spline_type range_spline = get_range_spline(data);
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spline_type range_straggling_spline = get_range_straggling_spline(data);
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double dEdxo = p.A/range_spline.derivative(Tout);
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@ -314,14 +344,17 @@ Result calculate(Projectile p, const Material &t, const Config &c){
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};
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res.sigma_x = integrator_adaptive.integrate(fx2p,0, rrange,1e-3,1e-6);
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res.sigma_x = angular_variance(p(T),t,c,2);
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res.sigma_x = sqrt(res.sigma_x);
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rrange = std::min(res.range/t.density(), t.thickness_cm());
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// position vs angle covariance, needed later for final position straggling
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auto fx1p = [&](double x)->double{
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double e =energy_out(T,x*t.density(),range_spline);
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return (rrange-x)*da2dx(p(e), t, c)*t.density();
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};
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res.cov = integrator.integrate(fx1p,0, rrange);
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res.cov = angular_variance(p(T),t,c,1);
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#ifdef REACTIONS
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res.sp = nonreaction_rate(p,t,c);
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2
catima.h
2
catima.h
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@ -128,7 +128,7 @@ namespace catima{
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* @param c - Config class
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* @return angular RMS variance in rad
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*/
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double angular_variance(Projectile p, const Material &t, const Config &c=default_config);
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double angular_variance(Projectile p, const Material &t, const Config &c=default_config, int order = 0);
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/**
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* calculates angular scattering in the material from difference of incoming a nd outgoing energies
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2
config.h
2
config.h
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@ -50,6 +50,8 @@ namespace catima{
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*/
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enum scattering_types:unsigned char{
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fermi_rossi = 0,
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dhighland = 1,
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gottschalk = 2,
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atima_scattering = 255,
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};
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@ -239,6 +239,8 @@ PYBIND11_MODULE(pycatima,m){
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py::enum_<scattering_types>(m,"scattering_types")
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.value("fermi_rossi", scattering_types::fermi_rossi)
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.value("dhighland", scattering_types::dhighland)
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.value("gottschalk", scattering_types::gottschalk)
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.value("atima_scattering", scattering_types::atima_scattering);
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@ -304,6 +306,7 @@ PYBIND11_MODULE(pycatima,m){
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m.def("srim_dedx_e",&srim_dedx_e);
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m.def("sezi_dedx_e",&sezi_dedx_e, "sezi_dedx_e", py::arg("projectile"), py::arg("material"), py::arg("config")=default_config);
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m.def("calculate",py::overload_cast<Projectile, const Material&, const Config&>(&calculate),"calculate",py::arg("projectile"), py::arg("material"), py::arg("config")=default_config);
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m.def("calculate",py::overload_cast<const Projectile&, const Layers&, const Config&>(&calculate),"calculate",py::arg("projectile"), py::arg("layers"), py::arg("config")=default_config);
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m.def("calculate_layers",py::overload_cast<const Projectile&, const Layers&, const Config&>(&calculate),"calculate_layers",py::arg("projectile"), py::arg("material"), py::arg("config")=default_config);
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m.def("dedx_from_range",py::overload_cast<const Projectile&, const Material&, const Config&>(&dedx_from_range),"calculate",py::arg("projectile") ,py::arg("material"), py::arg("config")=default_config);
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m.def("dedx_from_range",py::overload_cast<const Projectile&, const std::vector<double>&, const Material&, const Config&>(&dedx_from_range),"calculate",py::arg("projectile"), py::arg("energy") ,py::arg("material"), py::arg("config")=default_config);
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@ -73,7 +73,6 @@ namespace catima{
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double th=0;
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double molar_mass=0;
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double i_potential=0;
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double _X0=0;
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std::vector<Target>atoms;
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public:
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@ -183,6 +183,86 @@ using namespace std;
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auto res = catima::calculate(p,water);
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dif = res.tof - 0.038;
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CHECK( fabs(dif) < 0.01);
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}
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TEST_CASE("scattering length"){
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catima::Material be = catima::get_material(4);
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double x0 = catima::radiation_length(be);
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double xs = catima::scattering_length(be);
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CHECK(xs/x0 == approx(1.4,0.1));
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catima::Material pb = catima::get_material(82);
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x0 = catima::radiation_length(pb);
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xs = catima::scattering_length(pb);
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CHECK(xs/x0 == approx(1.04,0.04));
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}
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TEST_CASE("scattering_kanematsu"){
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catima::Config conf;
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catima::Projectile p{1,1,1,158.6};
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{ //p->Be
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catima::Material be = catima::get_material(4);
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double r0 = catima::range(p,be);
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conf.scattering = catima::scattering_types::fermi_rossi;
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be.thickness(r0*0.01);
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auto r1 = catima::calculate(p,be,conf);
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be.thickness(r0*0.1);
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auto r10 = catima::calculate(p,be,conf);
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CHECK(r1.sigma_a*1000 == approx(2.93,0.1));
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CHECK(r10.sigma_a*1000 == approx(9.49,0.4));
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conf.scattering = catima::scattering_types::dhighland;
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be.thickness(r0*0.01);
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r1 = catima::calculate(p,be,conf);
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be.thickness(r0*0.1);
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r10 = catima::calculate(p,be,conf);
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CHECK(r1.sigma_a*1000 == approx(2.04,0.1));
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CHECK(r10.sigma_a*1000 == approx(7.61,0.3));
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}
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{ //p->Cu
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catima::Material cu = catima::get_material(29);
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double r0 = catima::range(p,cu);
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conf.scattering = catima::scattering_types::fermi_rossi;
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cu.thickness(r0*0.01);
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auto r1 = catima::calculate(p,cu,conf);
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cu.thickness(r0*0.1);
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auto r10 = catima::calculate(p,cu,conf);
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CHECK(r1.sigma_a*1000 == approx(7.23,0.3));
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CHECK(r10.sigma_a*1000 == approx(23.5,0.8));
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conf.scattering = catima::scattering_types::dhighland;
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cu.thickness(r0*0.01);
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r1 = catima::calculate(p,cu,conf);
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cu.thickness(r0*0.1);
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r10 = catima::calculate(p,cu,conf);
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CHECK(r1.sigma_a*1000 == approx(5.63,0.25));
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CHECK(r10.sigma_a*1000 == approx(20.7,0.8));
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}
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{ //p->Pb
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catima::Material pb = catima::get_material(82);
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pb.density(11.35);
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pb.I(823);
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double r0 = catima::range(p,pb);
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conf.scattering = catima::scattering_types::fermi_rossi;
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pb.thickness(r0*0.01);
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auto r1 = catima::calculate(p,pb,conf);
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pb.thickness(r0*0.1);
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auto r10 = catima::calculate(p,pb,conf);
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CHECK(r1.sigma_a*1000 == approx(11.88,0.5));
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CHECK(r10.sigma_a*1000 == approx(38.6,1.2));
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conf.scattering = catima::scattering_types::dhighland;
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pb.thickness(r0*0.01);
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r1 = catima::calculate(p,pb,conf);
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pb.thickness(r0*0.1);
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r10 = catima::calculate(p,pb,conf);
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CHECK(r1.sigma_a*1000 == approx(9.75,0.25));
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CHECK(r10.sigma_a*1000 == approx(35.8,1.2));
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}
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}
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TEST_CASE("angular scattering"){
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catima::Config conf;
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@ -191,7 +271,7 @@ using namespace std;
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catima::Material water = catima::get_material(catima::material::Water);
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p.T = 158.6;
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/*
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for(double th = 0.01;th<3;th+=0.02){
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cu.thickness(th);
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conf.scattering = catima::scattering_types::fermi_rossi;
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@ -200,7 +280,7 @@ using namespace std;
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auto r2= catima::calculate(p,cu, conf);
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CHECK( r2.sigma_a == approx(r1.sigma_a).R(1e-3));
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}
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*/
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cu.thickness_cm(0.02963);
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auto res = catima::calculate(p,cu);
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CHECK( 1000*res.sigma_a == approx(7.2,0.5));
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