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Read all photon data into PhotonInteraction class

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This commit is contained in:
Paul Romano 2019-01-04 08:24:52 -06:00
parent dc2f2f8ae0
commit 6c3f35d019
3 changed files with 319 additions and 7 deletions
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14
include/openmc/constants.h
View file

@ -4,8 +4,8 @@
#ifndef OPENMC_CONSTANTS_H
#define OPENMC_CONSTANTS_H
#include <cmath>
#include <array>
#include <cmath>
#include <limits>
#include <vector>
@ -96,12 +96,12 @@ constexpr double N_AVOGADRO {0.6022140857}; // Avogadro's number in 10^24/
constexpr double K_BOLTZMANN {8.6173303e-5}; // Boltzmann constant in eV/K
// Electron subshell labels
constexpr char SUBSHELLS[][4] {
"K ", "L1 ", "L2 ", "L3 ", "M1 ", "M2 ", "M3 ", "M4 ", "M5 ",
"N1 ", "N2 ", "N3 ", "N4 ", "N5 ", "N6 ", "N7 ", "O1 ", "O2 ",
"O3 ", "O4 ", "O5 ", "O6 ", "O7 ", "O8 ", "O9 ", "P1 ", "P2 ",
"P3 ", "P4 ", "P5 ", "P6 ", "P7 ", "P8 ", "P9 ", "P10", "P11",
"Q1 ", "Q2 ", "Q3 "
constexpr std::array<const char*, 39> SUBSHELLS = {
"K", "L1", "L2", "L3", "M1", "M2", "M3", "M4", "M5",
"N1", "N2", "N3", "N4", "N5", "N6", "N7", "O1", "O2",
"O3", "O4", "O5", "O6", "O7", "O8", "O9", "P1", "P2",
"P3", "P4", "P5", "P6", "P7", "P8", "P9", "P10", "P11",
"Q1", "Q2", "Q3"
};
// Void material

63
include/openmc/photon.h
View file

@ -1,9 +1,13 @@
#ifndef OPENMC_PHOTON_H
#define OPENMC_PHOTON_H
#include "openmc/endf.h"
#include <hdf5.h>
#include "xtensor/xtensor.hpp"
#include <string>
#include <unordered_map>
#include <vector>
namespace openmc {
@ -12,6 +16,24 @@ namespace openmc {
//! Photon interaction data for a single element
//==============================================================================
class ElectronSubshell {
public:
// Constructors
ElectronSubshell() { };
int index_subshell; //!< index in SUBSHELLS
int threshold;
double n_electrons;
double binding_energy;
xt::xtensor<double, 1> cross_section;
// Transition data
int n_transitions;
xt::xtensor<int, 2> transition_subshells;
xt::xtensor<double, 1> transition_energy;
xt::xtensor<double, 1> transition_probability;
};
class PhotonInteraction {
public:
// Constructors
@ -20,6 +42,40 @@ public:
// Data members
std::string name_; //! Name of element, e.g. "Zr"
int Z_; //! Atomic number
// Microscopic cross sections
xt::xtensor<double, 1> energy_;
xt::xtensor<double, 1> coherent_;
xt::xtensor<double, 1> incoherent_;
xt::xtensor<double, 1> photoelectric_total_;
xt::xtensor<double, 1> pair_production_total_;
xt::xtensor<double, 1> pair_production_electron_;
xt::xtensor<double, 1> pair_production_nuclear_;
// Form factors
Tabulated1D incoherent_form_factor_;
Tabulated1D coherent_int_form_factor_;
Tabulated1D coherent_anomalous_real_;
Tabulated1D coherent_anomalous_imag_;
// Photoionization and atomic relaxation data
std::unordered_map<int, int> shell_map_; // Given a shell designator, e.g. 3, this
// dictionary gives an index in shells_
std::vector<ElectronSubshell> shells_;
// Compton profile data
xt::xtensor<double, 2> profile_pdf_;
xt::xtensor<double, 2> profile_cdf_;
xt::xtensor<double, 1> binding_energy_;
xt::xtensor<double, 1> electron_pdf_;
// Stopping power data
double I_; // mean excitation energy
xt::xtensor<double, 1> stopping_power_collision_;
xt::xtensor<double, 1> stopping_power_radiative_;
// Bremsstrahlung scaled DCS
xt::xtensor<double, 2> dcs_;
};
//==============================================================================
@ -43,7 +99,14 @@ struct ElementMicroXS {
//==============================================================================
namespace data {
extern xt::xtensor<double, 1> compton_profile_pz; //! Compton profile momentum grid
extern xt::xtensor<double, 1> ttb_e_grid; //! energy T of incident electron in [eV]
extern xt::xtensor<double, 1> ttb_k_grid; //! reduced energy W/T of emitted photon
//! Photon interaction data for each element
extern std::vector<PhotonInteraction> elements;
} // namespace data
namespace simulation {