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https://github.com/openmc-dev/openmc.git
synced 2026-07-21 14:35:27 -04:00
Finish TTB implementation on C++ side, still a bug somewhere
This commit is contained in:
Paul Romano
parent
ea1f2e426d
commit
2eacd5f72c
9 changed files with 133 additions and 95 deletions
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@ -370,6 +370,7 @@ add_library(libopenmc SHARED
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src/tallies/trigger.F90
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src/tallies/trigger_header.F90
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src/bank.cpp
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src/bremsstrahlung.cpp
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src/dagmc.cpp
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src/cell.cpp
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src/cmfd_solver.cpp
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@ -37,6 +37,10 @@ extern xt::xtensor<double, 1> ttb_k_grid; //! reduced energy W/T of emitted phot
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} // namespace data
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//==============================================================================
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// Global variables
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//==============================================================================
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void thick_target_bremsstrahlung(Particle& p, double* E_lost);
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} // namespace openmc
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@ -47,7 +47,7 @@ public:
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explicit Material(pugi::xml_node material_node);
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private:
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//! Initialize bremsstrahlung data
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void init_bremsstrahlung();
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};
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@ -55,6 +55,7 @@ private:
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// Fortran compatibility
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//==============================================================================
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extern "C" int* material_element(int i_material);
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extern "C" bool material_isotropic(int i_material, int i_nuc_mat);
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} // namespace openmc
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@ -82,8 +82,6 @@ void inelastic_scatter(const Nuclide* nuc, const Reaction* rx, Particle* p);
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void sample_secondary_photons(Particle* p, int i_nuclide);
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extern "C" void thick_target_bremsstrahlung(Particle* p, double* E_lost);
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} // namespace openmc
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#endif // OPENMC_PHYSICS_H
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@ -1,5 +1,13 @@
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#include "openmc/bremsstrahlung.h"
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#include "openmc/constants.h"
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#include "openmc/material.h"
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#include "openmc/random_lcg.h"
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#include "openmc/search.h"
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#include "openmc/settings.h"
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#include "xtensor/xmath.hpp"
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namespace openmc {
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//==============================================================================
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@ -18,92 +26,104 @@ std::vector<Bremsstrahlung> ttb;
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// Non-member functions
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//==============================================================================
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void thick_target_bremsstrahlung(Particle& p, double* E_lost)
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{
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if (p.material == MATERIAL_VOID) return;
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// void thick_target_bremsstrahlung(Particle& p, double* E_lost)
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// {
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// if (p.material == MATERIAL_VOID) return;
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// TODO: off-by-one
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int photon = static_cast<int>(ParticleType::photon) - 1;
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if (p.E < settings::energy_cutoff[photon]) return;
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// // TODO: off-by-one
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// int photon = static_cast<int>(ParticleType::photon) - 1;
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// if (p.E < settings::energy_cutoff[photon]) return;
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// Get bremsstrahlung data for this material and particle type
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// TODO: off-by-one
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BremsstrahlungData* mat;
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if (p.type == static_cast<int>(ParticleType::positron)) {
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mat = &model::materials[p.material -1]->ttb_->positron;
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} else {
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mat = &model::materials[p.material -1]->ttb_->electron;
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}
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// // // Get bremsstrahlung data for this material and particle type
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// if (p.type == static_cast<int>(ParticleType::positron)) {
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// mat => ttb(p.material) % positron;
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// } else {
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// mat => ttb(p.material) % electron;
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// }
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double e = std::log(p.E);
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auto n_e = data::ttb_e_grid.size();
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// double e = std::log(p.E);
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// auto n_e = data::ttb_e_grid
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// Find the lower bounding index of the incident electron energy
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int j = lower_bound_index(data::ttb_e_grid.cbegin(),
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data::ttb_e_grid.cend(), e);
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if (j == n_e - 1) --j;
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// // Find the lower bounding index of the incident electron energy
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// int j = lower_bound_index(data::ttb_e_grid.cbegin(), data::ttb_e_grid.cend(), e);
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// if (j == n_e - 1) --j;
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// Get the interpolation bounds
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double e_l = data::ttb_e_grid(j);
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double e_r = data::ttb_e_grid(j+1);
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double y_l = mat->yield(j);
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double y_r = mat->yield(j+1);
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// // Get the interpolation bounds
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// double e_l = data::ttb_e_grid(j);
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// double e_r = data::ttb_e_grid(j+1);
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// double y_l = mat % yield(j);
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// double y_r = mat % yield(j+1);
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// Calculate the interpolation weight w_j+1 of the bremsstrahlung energy PDF
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// interpolated in log energy, which can be interpreted as the probability
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// of index j+1
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double f = (e - e_l)/(e_r - e_l);
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// // Calculate the interpolation weight w_j+1 of the bremsstrahlung energy PDF
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// // interpolated in log energy, which can be interpreted as the probability
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// // of index j+1
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// double f = (e - e_l)/(e_r - e_l);
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// Get the photon number yield for the given energy using linear
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// interpolation on a log-log scale
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double y = std::exp(y_l + (y_r - y_l)*f);
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// // Get the photon number yield for the given energy using linear
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// // interpolation on a log-log scale
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// double y = std::exp(y_l + (y_r - y_l)*f);
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// Sample number of secondary bremsstrahlung photons
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int n = y + prn();
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// // Sample number of secondary bremsstrahlung photons
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// int n = y + prn();
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*E_lost = 0.0;
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if (n == 0) return;
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// *E_lost = 0.0;
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// if (n == 0) return;
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// Sample index of the tabulated PDF in the energy grid, j or j+1
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double c_max;
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int i_e;
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if (prn() <= f || j == 0) {
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i_e = j + 1;
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// // Sample index of the tabulated PDF in the energy grid, j or j+1
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// double c_max;
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// if (prn() <= f || j == 0) {
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// int i_e = j + 1;
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// Interpolate the maximum value of the CDF at the incoming particle
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// energy on a log-log scale
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double p_l = mat->pdf(i_e, i_e - 1);
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double p_r = mat->pdf(i_e, i_e);
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double c_l = mat->cdf(i_e, i_e - 1);
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double a = std::log(p_r/p_l)/(e_r - e_l) + 1.0;
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c_max = c_l + std::exp(e_l)*p_l/a*(std::exp(a*(e - e_l)) - 1.0);
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} else {
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i_e = j;
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// // Interpolate the maximum value of the CDF at the incoming particle
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// // energy on a log-log scale
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// double p_l = mat % pdf(i_e-1, i_e);
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// double p_r = mat % pdf(i_e, i_e);
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// double c_l = mat % cdf(i_e-1, i_e);
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// double a = std::log(p_r/p_l)/(e_r - e_l) + 1.0;
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// c_max = c_l + std::exp(e_l)*p_l/a*(std::exp(a*(e - e_l)) - 1.0);
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// } else {
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// int i_e = j;
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// Maximum value of the CDF
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c_max = mat->cdf(i_e, i_e);
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}
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// // Maximum value of the CDF
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// c_max = mat % cdf(i_e, i_e)
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// }
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// Sample the energies of the emitted photons
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for (int i = 0; i < n; ++i) {
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// Generate a random number r and determine the index i for which
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// cdf(i) <= r*cdf,max <= cdf(i+1)
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double c = prn()*c_max;
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int i_w = lower_bound_index(&mat->cdf(i_e, 0), &mat->cdf(i_e, 0) + i_e, c);
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// // Sample the energies of the emitted photons
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// for (int i = 0; i < n; ++i) {
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// // Generate a random number r and determine the index i for which
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// // cdf(i) <= r*cdf,max <= cdf(i+1)
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// double c = prn()*c_max;
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// int i_w = lower_bound_index(mat % cdf(:i_e,i_e), c)
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// Sample the photon energy
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double w_l = data::ttb_e_grid(i_w);
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double w_r = data::ttb_e_grid(i_w + 1);
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double p_l = mat->pdf(i_e, i_w);
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double p_r = mat->pdf(i_e, i_w + 1);
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double c_l = mat->cdf(i_e, i_w);
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double a = std::log(p_r/p_l)/(w_r - w_l) + 1.0;
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double w = std::exp(w_l)*std::pow(a*(c - c_l)/(std::exp(w_l)*p_l) + 1.0, 1.0/a);
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// // Sample the photon energy
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// double w_l = data::ttb_e_grid(i_w);
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// double w_r = data::ttb_e_grid(i_w+1);
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// double p_l = mat % pdf(i_w, i_e);
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// double p_r = mat % pdf(i_w+1, i_e);
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// double c_l = mat % cdf(i_w, i_e);
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// double a = std::log(p_r/p_l)/(w_r - w_l) + 1.0;
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// double w = std::exp(w_l)*std::pow(a*(c - c_l)/(std::exp(w_l)*p_l) + 1.0, 1.0/a);
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if (w > settings::energy_cutoff[photon]) {
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// Create secondary photon
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int photon_ = static_cast<int>(ParticleType::photon);
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p.create_secondary(p.coord[0].uvw, w, photon_, true);
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*E_lost += w;
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}
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}
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}
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// if (w > settings::energy_cutoff[photon]) {
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// // Create secondary photon
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// int photon = static_cast<int>(ParticleType::photon);
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// p.create_secondary(p.coord[0].uvw, w, photon, true);
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// *E_lost += w;
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// }
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// }
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// }
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//==============================================================================
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// Fortran compatibility
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//==============================================================================
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extern "C" void set_log_ttb_e_grid()
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{
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data::ttb_e_grid = xt::log(data::ttb_e_grid);
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}
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} // namespace openmc
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@ -2034,6 +2034,15 @@ contains
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type(SetChar) :: already_read
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type(SetChar) :: element_already_read
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interface
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subroutine material_init_bremsstrahlung(ptr) bind(C)
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import C_PTR
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type(C_PTR), value :: ptr
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end subroutine
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subroutine set_log_ttb_e_grid() bind(C)
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end subroutine
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end interface
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allocate(nuclides(n_nuclides))
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allocate(elements(n_elements))
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if (photon_transport .and. electron_treatment == ELECTRON_TTB) then
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@ -2127,8 +2136,7 @@ contains
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! Generate material bremsstrahlung data for electrons and positrons
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if (photon_transport .and. electron_treatment == ELECTRON_TTB) then
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call bremsstrahlung_init(ttb(i) % electron, i, ELECTRON)
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call bremsstrahlung_init(ttb(i) % positron, i, POSITRON)
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call material_init_bremsstrahlung(materials(i) % ptr)
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end if
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end do
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@ -2155,6 +2163,7 @@ contains
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! Take logarithm of energies since they are log-log interpolated
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ttb_e_grid = log(ttb_e_grid)
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call set_log_ttb_e_grid()
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end if
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! Set up logarithmic grid for nuclides
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@ -49,8 +49,6 @@ Material::Material(pugi::xml_node node)
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}
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}
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int* material_element(int index);
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void Material::init_bremsstrahlung()
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{
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// Create new object
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@ -80,12 +78,9 @@ void Material::init_bremsstrahlung()
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ttb->yield = xt::empty<double>({n_e});
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// Allocate temporary arrays
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std::array<std::size_t, 1> shape {n_e};
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xt::xtensor<double, 1> stopping_power_collision({n_e}, 0.0);
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xt::xtensor<double, 1> stopping_power_radiative({n_e}, 0.0);
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xt::xtensor<double, 2> dcs({n_e, n_k}, 0.0);
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xt::xtensor<double, 1> f({n_e}, 0.0);
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xt::xtensor<double, 1> z({n_e}, 0.0);
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double Z_eq_sq = 0.0;
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double sum_density = 0.0;
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@ -154,31 +149,35 @@ void Material::init_bremsstrahlung()
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stopping_power_radiative;
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// Loop over photon energies
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xt::xtensor<double, 1> f({n_e}, 0.0);
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xt::xtensor<double, 1> z({n_e}, 0.0);
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for (int i = 0; i < n_e - 1; ++i) {
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double w = data::ttb_e_grid(i);
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// Loop over incident particle energies
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for (int j = 0; j < n_e; ++j) {
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for (int j = i; j < n_e; ++j) {
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double e = data::ttb_e_grid(j);
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// Reduced photon energy
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double k = w / e;
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// Find the lower bounding index of the reduced photon energy
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int i_k = lower_bound_index(data::ttb_k_grid.cbegin(), data::ttb_k_grid.cend(), k);
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int i_k = lower_bound_index(data::ttb_k_grid.cbegin(),
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data::ttb_k_grid.cend(), k);
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// Get the interpolation bounds
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double k_l = data::ttb_k_grid(i_k);
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double k_r = data::ttb_k_grid(i_k + 1);
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double x_l = dcs(j, i_k);
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double x_r = dcs(j, i_k+1);
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double x_r = dcs(j, i_k + 1);
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// Find the value of the DCS using linear interpolation in reduced
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// photon energy k
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double x = x_l + (k - k_l) * (x_r - x_l) / (k_r - k_l);
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double x = x_l + (k - k_l)*(x_r - x_l)/(k_r - k_l);
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// Ratio of the velocity of the charged particle to the speed of light
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double beta = std::sqrt(e*(e + 2.0*MASS_ELECTRON_EV)) / (e + MASS_ELECTRON_EV);
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double beta = std::sqrt(e*(e + 2.0*MASS_ELECTRON_EV)) /
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(e + MASS_ELECTRON_EV);
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// Compute the integrand of the PDF
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f(j) = x / (beta*beta * stopping_power(j) * w);
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@ -193,7 +192,7 @@ void Material::init_bremsstrahlung()
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spline_c(n, &data::ttb_e_grid(i), &f(i), &z(i));
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double c = 0.0;
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for (int j = 0; j < n_e - 1; ++j) {
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for (int j = i; j < n_e - 1; ++j) {
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c += spline_integrate_c(n, &data::ttb_e_grid(i), &f(i), &z(i),
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data::ttb_e_grid(j), data::ttb_e_grid(j+1));
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@ -207,7 +206,7 @@ void Material::init_bremsstrahlung()
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double x_l = std::log(f(i));
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double x_r = std::log(f(i+1));
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ttb->pdf(i,i+1) = 0.5*(e_r - e_l)*(std::exp(e_l + x_l) + std::exp(e_r + x_r));
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ttb->pdf(i+1,i) = 0.5*(e_r - e_l)*(std::exp(e_l + x_l) + std::exp(e_r + x_r));
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}
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}
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@ -219,7 +218,7 @@ void Material::init_bremsstrahlung()
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// Loop over photon energies
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double c = 0.0;
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for (int i = 0; i < j - 1; ++i) {
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for (int i = 0; i < j; ++i) {
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// Integrate the CDF from the PDF using the trapezoidal rule in log-log
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// space
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double w_l = std::log(data::ttb_e_grid(i));
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@ -236,7 +235,7 @@ void Material::init_bremsstrahlung()
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}
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// Use logarithm of number yield since it is log-log interpolated
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ttb->yield = xt::where(ttb->yield > 0.0, ttb->yield, -500.0);
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ttb->yield = xt::where(ttb->yield > 0.0, xt::log(ttb->yield), -500.0);
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}
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}
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@ -332,6 +331,11 @@ extern "C" {
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mat->fissionable = fissionable;
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}
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void material_init_bremsstrahlung(Material* mat)
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{
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mat->init_bremsstrahlung();
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}
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void extend_materials_c(int32_t n)
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{
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model::materials.reserve(model::materials.size() + n);
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@ -1,5 +1,6 @@
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#include "openmc/photon.h"
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#include "openmc/bremsstrahlung.h"
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#include "openmc/constants.h"
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#include "openmc/hdf5_interface.h"
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#include "openmc/particle.h"
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@ -24,8 +25,6 @@ namespace openmc {
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namespace data {
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xt::xtensor<double, 1> compton_profile_pz;
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xt::xtensor<double, 1> ttb_e_grid;
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xt::xtensor<double, 1> ttb_k_grid;
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std::vector<PhotonInteraction> elements;
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|
||||
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@ -250,7 +249,7 @@ PhotonInteraction::PhotonInteraction(hid_t group, int i_element)
|
|||
frst, xt::view(s_rad, xt::range(i_grid+1, n_e))));
|
||||
|
||||
// Interpolate bremsstrahlung DCS at the cutoff energy and truncate
|
||||
xt::xtensor<double, 2> dcs = xt::empty<double>({n_e - i_grid, n_k});
|
||||
xt::xtensor<double, 2> dcs({n_e - i_grid, n_k});
|
||||
for (int i = 0; i < n_k; ++i) {
|
||||
y = std::exp(std::log(dcs_(i_grid,i)) +
|
||||
f*(std::log(dcs_(i_grid+1,i)) - std::log(dcs_(i_grid,i))));
|
||||
|
|
@ -268,6 +267,7 @@ PhotonInteraction::PhotonInteraction(hid_t group, int i_element)
|
|||
}
|
||||
|
||||
// Set incident particle energy grid
|
||||
// TODO: Change to zero when xtensor is updated
|
||||
if (data::ttb_e_grid.size() == 1) {
|
||||
data::ttb_e_grid = electron_energy;
|
||||
}
|
||||
|
|
|
|||
|
|
@ -1,6 +1,7 @@
|
|||
#include "openmc/physics.h"
|
||||
|
||||
#include "openmc/bank.h"
|
||||
#include "openmc/bremsstrahlung.h"
|
||||
#include "openmc/constants.h"
|
||||
#include "openmc/eigenvalue.h"
|
||||
#include "openmc/error.h"
|
||||
|
|
@ -382,7 +383,7 @@ void sample_electron_reaction(Particle* p)
|
|||
|
||||
if (settings::electron_treatment == ELECTRON_TTB) {
|
||||
double E_lost;
|
||||
thick_target_bremsstrahlung(p, &E_lost);
|
||||
thick_target_bremsstrahlung(*p, &E_lost);
|
||||
}
|
||||
|
||||
p->E = 0.0;
|
||||
|
|
@ -395,7 +396,7 @@ void sample_positron_reaction(Particle* p)
|
|||
|
||||
if (settings::electron_treatment == ELECTRON_TTB) {
|
||||
double E_lost;
|
||||
thick_target_bremsstrahlung(p, &E_lost);
|
||||
thick_target_bremsstrahlung(*p, &E_lost);
|
||||
}
|
||||
|
||||
// Sample angle isotropically
|
||||
|
|
|
|||
Loading…
Add table
Add a link
Reference in a new issue