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 //----------------------------------*-C++-*----------------------------------//
 // Copyright 2020-2024 UT-Battelle, LLC, and other Celeritas developers.
 // See the top-level COPYRIGHT file for details.
 // SPDX-License-Identifier: (Apache-2.0 OR MIT)
 //---------------------------------------------------------------------------//
 //! \file celeritas/mat/MaterialData.hh
 //---------------------------------------------------------------------------//
 #pragma once
 
 #include "corecel/Types.hh"
 #include "corecel/cont/Range.hh"
 #include "corecel/data/Collection.hh"
 #include "corecel/data/CollectionBuilder.hh"
 #include "celeritas/Quantities.hh"
 #include "celeritas/Types.hh"
 #include "celeritas/phys/AtomicNumber.hh"
 
 namespace celeritas
 {
 //---------------------------------------------------------------------------//
 // PARAMS
 //---------------------------------------------------------------------------//
 /*!
  * Fundamental, invariant properties of a nuclide.
  *
  * A nuclide is a single isotope of an element.
  *
  * \todo Rename NuclideRecord?
  */
 struct IsotopeRecord
 {
     //!@{
     //! \name Type aliases
     using AtomicMassNumber = AtomicNumber;
     //!@}
 
     AtomicNumber atomic_number;  //!< Atomic number Z
     AtomicMassNumber atomic_mass_number;  //!< Atomic number A
     units::MevEnergy binding_energy;  //!< Nuclear binding energy (BE)
     units::MevEnergy proton_loss_energy;  //!< BE(A, Z) - BE(A-1, Z-1)
     units::MevEnergy neutron_loss_energy;  //!< BE(A, Z) - BE(A-1, Z)
     units::MevMass nuclear_mass;  //!< Nucleons' mass + binding energy
 };
 
 //---------------------------------------------------------------------------//
 /*!
  * Fractional isotope component of an element.
  *
  * This represents, e.g., the fraction of 2H (deuterium) in element H.
  */
 struct ElIsotopeComponent
 {
     IsotopeId isotope;  //!< Index in MaterialParams isotopes
     real_type fraction;  //!< Fraction of number density
 };
 
 //---------------------------------------------------------------------------//
 /*!
  * Fundamental, invariant properties of an element.
  *
  * Add elemental properties as needed if they apply to more than one physics
  * model.
  *
  * Note that more than one "element def" can exist for a single atomic number:
  * there might be different enrichments of an element in the problem.
  */
 struct ElementRecord
 {
     AtomicNumber atomic_number;  //!< Z number
     units::AmuMass atomic_mass;  //!< Isotope-weighted average atomic mass
     ItemRange<ElIsotopeComponent> isotopes;  //!< Isotopes for this element
 
     // COMPUTED PROPERTIES
 
     real_type cbrt_z = 0;  //!< Z^{1/3}
     real_type cbrt_zzp = 0;  //!< (Z (Z + 1))^{1/3}
     real_type log_z = 0;  //!< log Z
 
     real_type coulomb_correction = 0;  //!< f(Z)
     real_type mass_radiation_coeff = 0;  //!< 1/X_0 (bremsstrahlung)
 };
 
 //---------------------------------------------------------------------------//
 /*!
  * Fractional element component of a material.
  *
  * This represents, e.g., the fraction of hydrogen in water.
  */
 struct MatElementComponent
 {
     ElementId element;  //!< Index in MaterialParams elements
     real_type fraction;  //!< Fraction of number density
 };
 
 //---------------------------------------------------------------------------//
 /*!
  * Fundamental (static) properties of a material.
  *
  * Multiple material definitions are allowed to reuse a single element
  * definition vector (memory management from the params store should handle
  * this). Derivative properties such as electron_density are calculated from
  * the elemental components.
  */
 struct MaterialRecord
 {
     real_type number_density;  //!< Atomic number density [1/length^3]
     real_type temperature;  //!< Temperature [K]
     MatterState matter_state;  //!< Solid, liquid, gas
     ItemRange<MatElementComponent> elements;  //!< Element components
 
     // COMPUTED PROPERTIES
 
     real_type zeff;  //!< Weighted atomic number
     real_type density;  //!< Density [mass/length^3]
     real_type electron_density;  //!< Electron number density [1/length^3]
     real_type rad_length;  //!< Radiation length [length]
     units::MevEnergy mean_exc_energy;  //!< Mean excitation energy [MeV]
     units::LogMevEnergy log_mean_exc_energy;  //!< Log mean excitation energy
 };
 
 //---------------------------------------------------------------------------//
 /*!
  * Access material properties on the device.
  *
  * This view is created from \c MaterialParams.
  *
  * If a material has optical properties defined, \c optical_id will give the
  * index into the optical properties data. Otherwise, it will be an invalid ID,
  * or empty if no optical properties are present for any material.
  *
  * \sa MaterialParams (owns the pointed-to data)
  * \sa ElementView (uses the pointed-to element data in a kernel)
  * \sa IsotopeView (uses the pointed-to isotope data in a kernel)
  * \sa MaterialView (uses the pointed-to material data in a kernel)
  */
 template<Ownership W, MemSpace M>
 struct MaterialParamsData
 {
     template<class T>
     using Items = Collection<T, W, M>;
     template<class T>
     using MaterialItems = Collection<T, W, M, MaterialId>;
 
     Items<IsotopeRecord> isotopes;
     Items<ElementRecord> elements;
     Items<ElIsotopeComponent> isocomponents;
     Items<MatElementComponent> elcomponents;
     Collection<MaterialRecord, W, M, MaterialId> materials;
     IsotopeComponentId::size_type max_isotope_components{};
     ElementComponentId::size_type max_element_components{};
     MaterialItems<OpticalMaterialId> optical_id;
 
     //// MEMBER FUNCTIONS ////
 
     //! Whether the data is assigned
     explicit CELER_FUNCTION operator bool() const
     {
         return !materials.empty();
     }
 
     //! Assign from another set of data
     template<Ownership W2, MemSpace M2>
     MaterialParamsData& operator=(MaterialParamsData<W2, M2> const& other)
     {
         CELER_EXPECT(other);
         isotopes = other.isotopes;
         elements = other.elements;
         isocomponents = other.isocomponents;
         elcomponents = other.elcomponents;
         materials = other.materials;
         max_isotope_components = other.max_isotope_components;
         max_element_components = other.max_element_components;
         optical_id = other.optical_id;
         return *this;
     }
 };
 
 //---------------------------------------------------------------------------//
 // STATE
 //---------------------------------------------------------------------------//
 /*!
  * Dynamic material state of a particle track.
  */
 struct MaterialTrackState
 {
     MaterialId material_id;  //!< Current material being tracked
 };
 
 //---------------------------------------------------------------------------//
 /*!
  * Store dynamic states of multiple physical particles.
  *
  * The "element scratch space" is a 2D array of reals, indexed with
  * [trackslot_id][el_component_id], where the fast-moving dimension has the
  * greatest number of element components of any material in the problem. This
  * can be used for the physics to calculate microscopic cross sections.
  *
  * \sa MaterialStateStore (owns the pointed-to data)
  * \sa MaterialTrackView (uses the pointed-to data in a kernel)
  */
 template<Ownership W, MemSpace M>
 struct MaterialStateData
 {
     template<class T>
     using Items = StateCollection<T, W, M>;
 
     Items<MaterialTrackState> state;
     Items<real_type> element_scratch;  // 2D array: [num states][max
                                        // components]
 
     //! Whether the interface is assigned
     explicit CELER_FUNCTION operator bool() const { return !state.empty(); }
 
     //! State size
     CELER_FUNCTION size_type size() const { return state.size(); }
 
     //! Assign from another set of data
     template<Ownership W2, MemSpace M2>
     MaterialStateData& operator=(MaterialStateData<W2, M2>& other)
     {
         CELER_EXPECT(other);
         state = other.state;
         element_scratch = other.element_scratch;
         return *this;
     }
 };
 
 //---------------------------------------------------------------------------//
 /*!
  * Resize a material state in host code.
  */
 template<MemSpace M>
 inline void resize(MaterialStateData<Ownership::value, M>* data,
                    HostCRef<MaterialParamsData> const& params,
                    size_type size)
 {
     CELER_EXPECT(size > 0);
     resize(&data->state, size);
     resize(&data->element_scratch, size * params.max_element_components);
 }
 
 //---------------------------------------------------------------------------//
 }  // namespace celeritas

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