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130 lines
4.5 KiB
C++
130 lines
4.5 KiB
C++
#ifndef OPENMC_THERMAL_H
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#define OPENMC_THERMAL_H
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#include <cstddef>
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#include <memory>
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#include <string>
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#include <unordered_map>
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#include <vector>
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#include "xtensor/xtensor.hpp"
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#include "openmc/angle_energy.h"
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#include "openmc/endf.h"
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#include "openmc/hdf5_interface.h"
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#include "openmc/particle.h"
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namespace openmc {
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//==============================================================================
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// Constants
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//==============================================================================
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// Secondary energy mode for S(a,b) inelastic scattering
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// TODO: Convert to enum
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constexpr int SAB_SECONDARY_EQUAL {0}; // Equally-likely outgoing energy bins
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constexpr int SAB_SECONDARY_SKEWED {1}; // Skewed outgoing energy bins
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constexpr int SAB_SECONDARY_CONT {2}; // Continuous, linear-linear interpolation
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// Elastic mode for S(a,b) elastic scattering
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// TODO: Convert to enum
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constexpr int SAB_ELASTIC_INCOHERENT {3}; // Incoherent elastic scattering
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constexpr int SAB_ELASTIC_COHERENT {4}; // Coherent elastic scattering (Bragg edges)
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//==============================================================================
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// Global variables
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//==============================================================================
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class ThermalScattering;
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namespace data {
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extern std::vector<std::unique_ptr<ThermalScattering>> thermal_scatt;
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extern std::unordered_map<std::string, int> thermal_scatt_map;
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}
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//==============================================================================
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//! Secondary angle-energy data for thermal neutron scattering at a single
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//! temperature
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//==============================================================================
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class ThermalData {
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public:
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ThermalData(hid_t group);
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//! Calculate the cross section
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//
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//! \param[in] E Incident neutron energy in [eV]
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//! \param[out] elastic Elastic scattering cross section in [b]
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//! \param[out] inelastic Inelastic scattering cross section in [b]
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void calculate_xs(double E, double* elastic, double* inelastic) const;
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//! Sample an outgoing energy and angle
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//
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//! \param[in] micro_xs Microscopic cross sections
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//! \param[in] E_in Incident neutron energy in [eV]
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//! \param[out] E_out Outgoing neutron energy in [eV]
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//! \param[out] mu Outgoing scattering angle cosine
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void sample(const NuclideMicroXS& micro_xs, double E_in,
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double* E_out, double* mu);
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private:
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struct Reaction {
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// Default constructor
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Reaction() { }
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// Data members
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std::unique_ptr<Function1D> xs; //!< Cross section
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std::unique_ptr<AngleEnergy> distribution; //!< Secondary angle-energy distribution
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};
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// Inelastic scattering data
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Reaction elastic_;
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Reaction inelastic_;
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// ThermalScattering needs access to private data members
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friend class ThermalScattering;
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};
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//==============================================================================
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//! Data for thermal neutron scattering, typically off light isotopes in
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//! moderating materials such as water, graphite, BeO, etc.
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//==============================================================================
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class ThermalScattering {
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public:
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ThermalScattering(hid_t group, const std::vector<double>& temperature);
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//! Determine inelastic/elastic cross section at given energy
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//!
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//! \param[in] E incoming energy in [eV]
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//! \param[in] sqrtkT square-root of temperature multipled by Boltzmann's constant
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//! \param[out] i_temp corresponding temperature index
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//! \param[out] elastic Thermal elastic scattering cross section
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//! \param[out] inelastic Thermal inelastic scattering cross section
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void calculate_xs(double E, double sqrtkT, int* i_temp, double* elastic,
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double* inelastic) const;
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//! Determine whether table applies to a particular nuclide
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//!
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//! \param[in] name Name of the nuclide, e.g., "H1"
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//! \return Whether table applies to the nuclide
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bool has_nuclide(const char* name) const;
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// Sample an outgoing energy and angle
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void sample(const NuclideMicroXS& micro_xs, double E_in,
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double* E_out, double* mu);
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std::string name_; //!< name of table, e.g. "c_H_in_H2O"
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double awr_; //!< weight of nucleus in neutron masses
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double energy_max_; //!< maximum energy for thermal scattering in [eV]
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std::vector<double> kTs_; //!< temperatures in [eV] (k*T)
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std::vector<std::string> nuclides_; //!< Valid nuclides
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//! cross sections and distributions at each temperature
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std::vector<ThermalData> data_;
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};
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void free_memory_thermal();
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} // namespace openmc
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#endif // OPENMC_THERMAL_H
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