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/* Copyright 2021 Luca Fedeli Maxence Thevenet
*
* This file is part of WarpX.
*
* License: BSD-3-Clause-LBNL
*/
#include "SpeciesPhysicalProperties.H"
#include "Utils/WarpXConst.H"
#include <AMReX_AmrCore.H>
#include <limits>
#include <map>
#include <string>
using namespace species;
namespace {
struct Properties
{
amrex::Real mass;
amrex::Real charge;
};
const auto string_to_species = std::map<std::string, PhysicalSpecies>{
{"unspecified", PhysicalSpecies::unspecified},
{"electron" , PhysicalSpecies::electron},
{"positron" , PhysicalSpecies::positron},
{"muon" , PhysicalSpecies::muon},
{"antimuon" , PhysicalSpecies::antimuon},
{"photon" , PhysicalSpecies::photon},
{"neutron" , PhysicalSpecies::neutron},
{"hydrogen" , PhysicalSpecies::hydrogen},
{"hydrogen1" , PhysicalSpecies::hydrogen1},
{"protium" , PhysicalSpecies::hydrogen1},
{"hydrogen2" , PhysicalSpecies::hydrogen2},
{"deuterium" , PhysicalSpecies::hydrogen2},
{"hydrogen3" , PhysicalSpecies::hydrogen3},
{"tritium" , PhysicalSpecies::hydrogen3},
{"proton" , PhysicalSpecies::proton},
{"helium" , PhysicalSpecies::helium},
{"helium3" , PhysicalSpecies::helium3},
{"helium4" , PhysicalSpecies::helium4},
{"alpha" , PhysicalSpecies::alpha},
{"lithium" , PhysicalSpecies::lithium},
{"lithium6" , PhysicalSpecies::lithium6},
{"lithium7" , PhysicalSpecies::lithium7},
{"beryllium" , PhysicalSpecies::beryllium},
{"beryllium9" , PhysicalSpecies::beryllium9},
{"boron" , PhysicalSpecies::boron},
{"boron10" , PhysicalSpecies::boron10},
{"boron11" , PhysicalSpecies::boron11},
{"carbon" , PhysicalSpecies::carbon},
{"carbon12" , PhysicalSpecies::carbon12},
{"carbon13" , PhysicalSpecies::carbon13},
{"carbon14" , PhysicalSpecies::carbon14},
{"nitrogen" , PhysicalSpecies::nitrogen},
{"nitrogen14" , PhysicalSpecies::nitrogen14},
{"nitrogen15" , PhysicalSpecies::nitrogen15},
{"oxygen" , PhysicalSpecies::oxygen},
{"oxygen16" , PhysicalSpecies::oxygen16},
{"oxygen17" , PhysicalSpecies::oxygen17},
{"oxygen18" , PhysicalSpecies::oxygen18},
{"fluorine" , PhysicalSpecies::fluorine},
{"fluorine19" , PhysicalSpecies::fluorine19},
{"neon" , PhysicalSpecies::neon},
{"neon20" , PhysicalSpecies::neon20},
{"neon21" , PhysicalSpecies::neon21},
{"neon22" , PhysicalSpecies::neon22},
{"aluminium" , PhysicalSpecies::aluminium},
{"argon" , PhysicalSpecies::argon},
{"copper" , PhysicalSpecies::copper},
{"xenon" , PhysicalSpecies::xenon},
{"gold" , PhysicalSpecies::gold},
};
const auto species_to_string = std::map<PhysicalSpecies, std::string>{
{PhysicalSpecies::unspecified, "unspecified"},
{PhysicalSpecies::electron , "electron"},
{PhysicalSpecies::positron , "positron"},
{PhysicalSpecies::muon , "muon"},
{PhysicalSpecies::antimuon , "antimuon"},
{PhysicalSpecies::photon , "photon"},
{PhysicalSpecies::neutron , "neutron"},
{PhysicalSpecies::hydrogen , "hydrogen"},
{PhysicalSpecies::hydrogen1 , "hydrogen1"},
{PhysicalSpecies::hydrogen2 , "hydrogen2"},
{PhysicalSpecies::hydrogen3 , "hydrogen3"},
{PhysicalSpecies::proton , "proton"},
{PhysicalSpecies::helium , "helium"},
{PhysicalSpecies::helium3 , "helium3"},
{PhysicalSpecies::helium4 , "helium4"},
{PhysicalSpecies::alpha , "alpha"},
{PhysicalSpecies::lithium , "lithium"},
{PhysicalSpecies::lithium6 , "lithium6"},
{PhysicalSpecies::lithium7 , "lithium7"},
{PhysicalSpecies::beryllium , "beryllium"},
{PhysicalSpecies::beryllium9 , "beryllium9"},
{PhysicalSpecies::boron , "boron"},
{PhysicalSpecies::boron10 , "boron10"},
{PhysicalSpecies::boron11 , "boron11"},
{PhysicalSpecies::carbon , "carbon"},
{PhysicalSpecies::carbon12 , "carbon12"},
{PhysicalSpecies::carbon13 , "carbon13"},
{PhysicalSpecies::carbon14 , "carbon14"},
{PhysicalSpecies::nitrogen , "nitrogen"},
{PhysicalSpecies::nitrogen14 , "nitrogen14"},
{PhysicalSpecies::nitrogen15 , "nitrogen15"},
{PhysicalSpecies::oxygen , "oxygen"},
{PhysicalSpecies::oxygen16 , "oxygen16"},
{PhysicalSpecies::oxygen17 , "oxygen17"},
{PhysicalSpecies::oxygen18 , "oxygen18"},
{PhysicalSpecies::fluorine , "fluorine"},
{PhysicalSpecies::fluorine19 , "fluorine19"},
{PhysicalSpecies::neon , "neon"},
{PhysicalSpecies::neon20 , "neon20"},
{PhysicalSpecies::neon21 , "neon21"},
{PhysicalSpecies::neon22 , "neon22"},
{PhysicalSpecies::aluminium , "aluminium"},
{PhysicalSpecies::argon , "argon"},
{PhysicalSpecies::copper , "copper"},
{PhysicalSpecies::xenon , "xenon"},
{PhysicalSpecies::gold , "gold"}
};
constexpr auto quiet_NaN = std::numeric_limits<amrex::Real>::quiet_NaN();
// The atomic mass data below is from this NIST page
// https://physics.nist.gov/cgi-bin/Compositions/stand_alone.pl?ele=&ascii=ascii2&isotype=some
const
std::map<PhysicalSpecies,Properties> species_to_properties
{
{PhysicalSpecies::unspecified, Properties{
quiet_NaN,
quiet_NaN}},
{PhysicalSpecies::electron, Properties{
PhysConst::m_e,
-PhysConst::q_e}},
{PhysicalSpecies::positron, Properties{
PhysConst::m_e,
PhysConst::q_e}},
{PhysicalSpecies::muon, Properties{
amrex::Real(206.7682830) * PhysConst::m_e,
-PhysConst::q_e}},
{PhysicalSpecies::antimuon, Properties{
amrex::Real(206.7682830) * PhysConst::m_e,
PhysConst::q_e}},
{PhysicalSpecies::photon, Properties{
amrex::Real(0.0),
amrex::Real(0.0)}},
{PhysicalSpecies::neutron, Properties{
amrex::Real(1.0013784193052508) * PhysConst::m_p,
amrex::Real(0.0)}},
{PhysicalSpecies::proton, Properties{
PhysConst::m_p,
PhysConst::q_e}},
{PhysicalSpecies::hydrogen, Properties{
amrex::Real(1.00797) * PhysConst::m_u,
amrex::Real(1) * PhysConst::q_e}},
{PhysicalSpecies::hydrogen1, Properties{
amrex::Real(1.00782503223) * PhysConst::m_u,
amrex::Real(1) * PhysConst::q_e}},
{PhysicalSpecies::hydrogen2, Properties{
amrex::Real(2.01410177812) * PhysConst::m_u,
amrex::Real(1) * PhysConst::q_e}},
{PhysicalSpecies::hydrogen3, Properties{
amrex::Real(3.0160492779) * PhysConst::m_u,
amrex::Real(1) * PhysConst::q_e}},
{PhysicalSpecies::helium, Properties{
amrex::Real(4.002602) * PhysConst::m_u,
amrex::Real(2) * PhysConst::q_e}},
{PhysicalSpecies::helium3, Properties{
amrex::Real(3.0160293201) * PhysConst::m_u,
amrex::Real(2) * PhysConst::q_e}},
{PhysicalSpecies::helium4, Properties{
amrex::Real(4.00260325413) * PhysConst::m_u,
amrex::Real(2) * PhysConst::q_e}},
{PhysicalSpecies::alpha, Properties{
amrex::Real(4.00260325413) * PhysConst::m_u - amrex::Real(2) * PhysConst::m_e,
amrex::Real(2) * PhysConst::q_e}},
{PhysicalSpecies::lithium, Properties{
amrex::Real(6.967) * PhysConst::m_u,
amrex::Real(3) * PhysConst::q_e}},
{PhysicalSpecies::lithium6, Properties{
amrex::Real(6.0151228874) * PhysConst::m_u,
amrex::Real(3) * PhysConst::q_e}},
{PhysicalSpecies::lithium7, Properties{
amrex::Real(7.0160034366) * PhysConst::m_u,
amrex::Real(3) * PhysConst::q_e}},
{PhysicalSpecies::beryllium, Properties{
amrex::Real(9.0121831) * PhysConst::m_u,
amrex::Real(4) * PhysConst::q_e}},
{PhysicalSpecies::beryllium9, Properties{
amrex::Real(9.012183065) * PhysConst::m_u,
amrex::Real(4) * PhysConst::q_e}},
{PhysicalSpecies::boron, Properties{
amrex::Real(10.813) * PhysConst::m_u,
amrex::Real(5) * PhysConst::q_e}},
{PhysicalSpecies::boron10, Properties{
amrex::Real(10.01293695) * PhysConst::m_u,
amrex::Real(5) * PhysConst::q_e}},
{PhysicalSpecies::boron11, Properties{
amrex::Real(11.00930536) * PhysConst::m_u,
amrex::Real(5) * PhysConst::q_e}},
{PhysicalSpecies::carbon, Properties{
amrex::Real(12.0106) * PhysConst::m_u,
amrex::Real(6) * PhysConst::q_e}},
{PhysicalSpecies::carbon12, Properties{
amrex::Real(12.0000000) * PhysConst::m_u,
amrex::Real(6) * PhysConst::q_e}},
{PhysicalSpecies::carbon13, Properties{
amrex::Real(13.00335483507) * PhysConst::m_u,
amrex::Real(6) * PhysConst::q_e}},
{PhysicalSpecies::carbon14, Properties{
amrex::Real(14.0032419884) * PhysConst::m_u,
amrex::Real(6) * PhysConst::q_e}},
{PhysicalSpecies::nitrogen, Properties{
amrex::Real(14.00685) * PhysConst::m_u,
amrex::Real(7) * PhysConst::q_e}},
{PhysicalSpecies::nitrogen14, Properties{
amrex::Real(14.00307400443) * PhysConst::m_u,
amrex::Real(7) * PhysConst::q_e}},
{PhysicalSpecies::nitrogen15, Properties{
amrex::Real(15.00010889888) * PhysConst::m_u,
amrex::Real(7) * PhysConst::q_e}},
{PhysicalSpecies::oxygen, Properties{
amrex::Real(15.9994) * PhysConst::m_u,
amrex::Real(8) * PhysConst::q_e}},
{PhysicalSpecies::oxygen16, Properties{
amrex::Real(15.99491461957) * PhysConst::m_u,
amrex::Real(8) * PhysConst::q_e}},
{PhysicalSpecies::oxygen17, Properties{
amrex::Real(16.99913175650) * PhysConst::m_u,
amrex::Real(8) * PhysConst::q_e}},
{PhysicalSpecies::oxygen18, Properties{
amrex::Real(17.99915961286) * PhysConst::m_u,
amrex::Real(8) * PhysConst::q_e}},
{PhysicalSpecies::fluorine, Properties{
amrex::Real(18.998403163) * PhysConst::m_u,
amrex::Real(9) * PhysConst::q_e}},
{PhysicalSpecies::fluorine19, Properties{
amrex::Real(18.99840316273) * PhysConst::m_u,
amrex::Real(9) * PhysConst::q_e}},
{PhysicalSpecies::neon, Properties{
amrex::Real(20.1797) * PhysConst::m_u,
amrex::Real(10) * PhysConst::q_e}},
{PhysicalSpecies::neon20, Properties{
amrex::Real(19.9924401762) * PhysConst::m_u,
amrex::Real(10) * PhysConst::q_e}},
{PhysicalSpecies::neon21, Properties{
amrex::Real(20.993846685) * PhysConst::m_u,
amrex::Real(10) * PhysConst::q_e}},
{PhysicalSpecies::neon22, Properties{
amrex::Real(21.991385114) * PhysConst::m_u,
amrex::Real(10) * PhysConst::q_e}},
{PhysicalSpecies::aluminium, Properties{
amrex::Real(26.98153853) * PhysConst::m_u,
amrex::Real(13) * PhysConst::q_e}},
{PhysicalSpecies::argon, Properties{
amrex::Real(39.948) * PhysConst::m_u,
amrex::Real(18) * PhysConst::q_e}},
{PhysicalSpecies::copper, Properties{
amrex::Real(63.546) * PhysConst::m_u,
amrex::Real(29) * PhysConst::q_e}},
{PhysicalSpecies::xenon, Properties{
amrex::Real(131.293) * PhysConst::m_u,
amrex::Real(54) * PhysConst::q_e}},
{PhysicalSpecies::gold, Properties{
amrex::Real(196.966569) * PhysConst::m_u,
amrex::Real(79) * PhysConst::q_e}},
};
}
namespace species
{
std::optional<PhysicalSpecies> from_string(const std::string& species)
{
const auto phys_spec = string_to_species.find(species);
return (phys_spec != string_to_species.end())?
std::make_optional(phys_spec->second) : std::nullopt;
}
amrex::Real get_charge (const PhysicalSpecies& ps)
{
return species_to_properties.at(ps).charge;
}
amrex::Real get_mass (const PhysicalSpecies& ps)
{
return species_to_properties.at(ps).mass;
}
std::string get_name (const PhysicalSpecies& ps)
{
return species_to_string.at(ps);
}
}
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