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94 changes: 94 additions & 0 deletions EXT_SpeciesType.md
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Convention for Specifying Particle Species
==========================================

openPMD extension name: `SpeciesType`

openPMD extension ID: `4`
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note: this will be removed in 2.0.0 but we have to assign it since we are still in 1.X



Introduction
------------

This convention is for standardizing the names of particle species, e.g. in
particle physics.


Additional Record Attribute
---------------------------

The following additional attribute for openPMD `records` is defined in this
extension:

- `SpeciesType`
- type: *(string)*
- scope: *optional*
- description: particle species in this record. If there are multiple
species to be specified, they can be specified using a
semicolon separated list.
- allowed values:
- *see the lists below* and additionally
- `other` if none of the ones below applies, user are free to append a
free text after a colon, e.g. `other:neutralino` or `other:cherry`
- examples:
- `electron` (e.g. on an electron `particle record` or an electron
density `mesh record`)
- `electron;proton;#12C` (e.g. on a `mesh record` for a plasma's
local charge density)
- `other:apple;other:orange` (for a `record` mixing apples & oranges)

This attribute can be used with any `record` (including `mesh records`).

### SubAtomic Particles

- `antimuon`
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Should we add antitau? (See remark below on the tau lepton.)

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Yes we should add antitau. And tao is a typo. Should be tau everywhere.

- `antiproton`
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Should we add antineutron?

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Yes.

- `bottom`
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Shouldn't this be bottom-quark and bottom-antiquark for consistency?

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Yes.

- `charm-antiquark`
- `charm-quark`
- `deuteron`
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It seems that deuteron could be expressed as #2H. Using the convention below. Therefore, I suggest that we remove it from this list.

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Correct that deuteron is the same as #2H with a charge state of 1. In terms of having the name in the standard I don't care either way. @ax3l: Do you have an opinion?

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sure, Deuterium should not be here

- `down-antiquark`
- `down-quark`
- `electron`
- `electron-neutrino`
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Should we add electron-antineutrino?

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Sure.

- `gluon`
- `graviton`
- `higgs-boson`
- `muon`
- `muon-neutrino`
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Should we add muon_antineutrino?

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Yes.

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And I thought you wanted to point to Majorana neutrinos here ;)

- `neutron`
- `photon`
- `pion`
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Is there a reason to standardize the name of the pion, but not of all the other mesons?
(If the reason is that the pion is the most common, I am fine with this ; I am definitely not a specialist... I was just wondering.)

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The list I came up with was meant to get the discussion going rather then being complete (I am definitely not a specialist either). Do you have a list of names for the other mesons? By all means let us put them in.

- `positron`
- `proton`
- `strange-antiquark`
- `strange-quark`
- `tao-antiquark`
- `tao-quark`
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@RemiLehe RemiLehe Feb 5, 2018

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Also, I am not sure whether a tao-quark and tao-antiquark exist in the standard model... (If I remember well, the quarks of the standard model are up, down, strange, charm, bottom, top.)

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Correct. That is a typo and should be removed.

- `tao-neutrino`
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@RemiLehe RemiLehe Feb 5, 2018

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Shouldn't this be tau-neutrino (and adding tau-antineutrino) instead of tao-neutrino ? In addition, we should probably add tau as a particle (for the counterpart of muon and electron).

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Yes. The change should be made.

- `top-antiquark`
- `top-quark`
- `up-antiquark`
- `up-quark`
- `w-boson`
- `z-boson`

### Atoms & Isotopes

Element namings follow the abbreviated namings of the periodic table, defined
by *The International Union of Pure and Applied Chemistry* (IUPAC).
An example would be `Si` for silicon.

Specifications of isotopes are denoted by a pound symbol `#` followed
by the isotopic number followed by the chemical symbol, e.g.: `#3He`
for Helium-3.

The charge state is not encoded by the `SpeciesType` attribute.
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By charge state, do we mean ionization state? Could charge state be considered ambiguous for some users?

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@ax3l ax3l Feb 5, 2018

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Imho, charge state is the more general concept while ionization state only applies to atoms & molecules. This section just says we do not express it in this extension.

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OK, sounds good.

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I concur with Alex.

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*Axel ;-)

Any extension using this standard can define how to specify the charge state.

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@ax3l ax3l Feb 1, 2018

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Should we mention that the most abundant isotope can just be short-handed as He (for #4He)? It's somehow missing, but would allow ambiguity.

Is D ok for #2H or shall it be forced to the latter?

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I would say that the standard should assume that "He" is equivalent to "#4He".

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Deuterium would be "#2H"

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excellent, so we keep the abbreviations to a minimum: regular elements in the IUPAC periodic table

### Molecules

Use standard chemical notation, e.g.: `H20`.
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The isotope prefix can be used with molecules. Example "#2H2O" for two deuterium and "#2HHO" for one deuterium.

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idea: we prefix the allowed values with the sections, e.g. subatomic:, atom:/isotope:, molecule:, ...


The isotope prefix can be used with molecules as well.
Examples for heavy water: `#2H2O` for two deuterium and `#2HHO` for one
deuterium.
2 changes: 2 additions & 0 deletions STANDARD.md
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Expand Up @@ -730,6 +730,8 @@ defined:

- **ED-PIC**: electro-dynamic/static particle-in-cell codes,
see [EXT_ED-PIC.md](EXT_ED-PIC.md).
- **SpeciesType**: naming lists for particle species,
see [EXT_SpeciesType.md](EXT_SpeciesType.md).

Extensions to similar domains such as fluid, finite-element or
molecular-dynamics simulations, CCD images or other particle and/or mesh-based
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