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Add properties for neutron, hydrogen isotopes, helium isotopes #3151

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2e5d076
Add properties for neutron, hydrogen isotopes, helium isotopes
RemiLehe May 31, 2022
029f3e1
Update code to be more consistent
RemiLehe May 31, 2022
8ce861d
Correct typo
RemiLehe May 31, 2022
ea3217e
Update documentation
RemiLehe May 31, 2022
9549830
Fix typo
RemiLehe May 31, 2022
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7 changes: 6 additions & 1 deletion Docs/source/usage/parameters.rst
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Original file line number Diff line number Diff line change
Expand Up @@ -573,7 +573,12 @@ Particle initialization

* ``<species_name>.species_type`` (`string`) optional (default `unspecified`)
Type of physical species.
Currently, the accepted species are ``"electron"``, ``"positron"``, ``"photon"``, ``"hydrogen"`` (or equivalently ``"proton"``), ``"helium"`` (or equivalently ``"alpha"``), ``"boron"``, ``"carbon"``, ``"oxygen"``, ``"nitrogen"``, ``"argon"``, ``"copper"`` and ``"xenon"``.
Currently, the accepted species are ``"electron"``, ``"positron"``, ``"photon"``,
``"neutron"``, ``"hydrogen"`` (or equivalently ``"proton"``), ``"deuterium"``
(or equivalently ``"hydrogen2"``), ``"tritium"`` (or equivalently ``"hydrogen3"``),
``"helium"`` (or equivalently ``"alpha"``), ``"helium3"``, ``"helium4"``,
``"boron"``, ``"boron10"``, ``"boron11"``, ``"carbon"``, ``"oxygen"``,
``"nitrogen"``, ``"argon"``, ``"copper"`` and ``"xenon"``.
Either this or both ``mass`` and ``charge`` have to be specified.

* ``<species_name>.charge`` (`float`) optional (default `NaN`)
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51 changes: 43 additions & 8 deletions Source/Particles/SpeciesPhysicalProperties.H
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Expand Up @@ -17,8 +17,9 @@
#include <map>
#include <string>

enum struct PhysicalSpecies{unspecified=0, electron, positron, photon, hydrogen, helium, boron,
boron10, boron11, carbon, nitrogen, oxygen, argon, copper, xenon};
enum struct PhysicalSpecies{unspecified=0, electron, positron, photon, neutron,
hydrogen, hydrogen2, hydrogen3, helium, helium3, helium4, boron, boron10,
boron11, carbon, nitrogen, oxygen, argon, copper, xenon};

namespace species
{
Expand All @@ -33,14 +34,20 @@ namespace species
return PhysicalSpecies::positron;
if( species=="photon" )
return PhysicalSpecies::photon;
if( species=="hydrogen" )
if( species=="neutron" )
return PhysicalSpecies::neutron;
if( (species=="hydrogen") || (species=="proton") )
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@RemiLehe RemiLehe May 31, 2022

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Note that this is not very consistent with the way in which we treat "helium".
For consistency, we should distinguish:

  • hydrogen (includes the mass of the electron, averages over isotopes abundance)
  • proton/hydrogen1 (does not include the mass of the electron, does not average over isotopes)
    However, in order to preserve the code behavior, I did not introduce this change.

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@ax3l ax3l Jun 2, 2022

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Agreed. Didn't we discuss this for #3090 that @lucafedeli88 has open? :)

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@RemiLehe RemiLehe Jun 2, 2022

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Ah, yes. Actually the present PR duplicates #3090. I will close it for now.

return PhysicalSpecies::hydrogen;
if( species=="proton" )
return PhysicalSpecies::hydrogen;
if( species=="helium" )
return PhysicalSpecies::helium;
if( species=="alpha" )
if( (species=="hydrogen2") || (species=="deuterium") )
return PhysicalSpecies::hydrogen2;
if( (species=="hydrogen3") || (species=="tritium") )
return PhysicalSpecies::hydrogen3;
if( (species=="helium") || (species=="alpha") )
return PhysicalSpecies::helium;
if( species=="helium3" )
return PhysicalSpecies::helium3;
if( species=="helium4" )
return PhysicalSpecies::helium4;
if( species=="boron" )
return PhysicalSpecies::boron;
if( species=="boron10" )
Expand Down Expand Up @@ -75,10 +82,20 @@ namespace species
return PhysConst::q_e;
case PhysicalSpecies::photon:
return 0.;
case PhysicalSpecies::neutron:
return 0.;
case PhysicalSpecies::hydrogen:
return PhysConst::q_e;
case PhysicalSpecies::hydrogen2:
return PhysConst::q_e;
case PhysicalSpecies::hydrogen3:
return PhysConst::q_e;
case PhysicalSpecies::helium:
return PhysConst::q_e * amrex::Real(2.0);
case PhysicalSpecies::helium3:
return PhysConst::q_e * amrex::Real(2.0);
case PhysicalSpecies::helium4:
return PhysConst::q_e * amrex::Real(2.0);
case PhysicalSpecies::boron:
return PhysConst::q_e * amrex::Real(5.0);
case PhysicalSpecies::boron10:
Expand Down Expand Up @@ -115,10 +132,20 @@ namespace species
return PhysConst::m_e;
case PhysicalSpecies::photon:
return 0.;
case PhysicalSpecies::neutron:
return PhysConst::m_p * amrex::Real(1.0013784193052508);
case PhysicalSpecies::hydrogen:
return PhysConst::m_p;
case PhysicalSpecies::hydrogen2:
return PhysConst::m_p * amrex::Real(1.99901);
case PhysicalSpecies::hydrogen3:
return PhysConst::m_p * amrex::Real(2.99372);
case PhysicalSpecies::helium:
return PhysConst::m_p * amrex::Real(3.97369);
case PhysicalSpecies::helium3:
return PhysConst::m_p * amrex::Real(2.99369);
case PhysicalSpecies::helium4:
return PhysConst::m_p * amrex::Real(3.97314);
case PhysicalSpecies::boron:
return PhysConst::m_p * amrex::Real(10.7319);
case PhysicalSpecies::boron10:
Expand Down Expand Up @@ -157,8 +184,16 @@ namespace species
return "photon";
case PhysicalSpecies::hydrogen:
return "hydrogen";
case PhysicalSpecies::hydrogen2:
return "hydrogen2";
case PhysicalSpecies::hydrogen3:
return "hydrogen3";
case PhysicalSpecies::helium:
return "helium";
case PhysicalSpecies::helium3:
return "helium3";
case PhysicalSpecies::helium4:
return "helium4";
case PhysicalSpecies::boron:
return "boron";
case PhysicalSpecies::boron10:
Expand Down