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Merge pull request #205 from bshanahan/lithium
Add support for Lithium
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| #pragma once | ||
| #ifndef ADAS_LITHIUM_H | ||
| #define ADAS_LITHIUM_H | ||
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| #include "adas_reaction.hxx" | ||
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| #include <array> | ||
| #include <initializer_list> | ||
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| /// Ionisation energies in eV | ||
| /// from https://www.webelements.com/lithium/atoms.html | ||
| /// Conversion 1 kJ mol‑1 = 1.0364e-2 eV | ||
| /// These are added (removed) from the electron energy during recombination (ionisation) | ||
| constexpr std::array<BoutReal, 3> lithium_ionisation_energy{ | ||
| 5.39, 75.64, 122.45}; | ||
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| /// The name of the species. This initializer list can be passed to a string | ||
| /// constructor, or used to index into an Options tree. | ||
| /// | ||
| /// li, li+, li+2, ... | ||
| /// | ||
| /// Special cases for level=0, 1 and 3 | ||
| /// | ||
| /// @tparam level The ionisation level: 0 is neutral, 3 is fully stripped. | ||
| template <int level> | ||
| constexpr std::initializer_list<char> lithium_species_name{'l', 'i', '+', '0' + level}; | ||
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| template <> | ||
| constexpr std::initializer_list<char> lithium_species_name<3>{'l', 'i', '+', '3'}; | ||
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| template <> | ||
| constexpr std::initializer_list<char> lithium_species_name<1>{'l', 'i', '+'}; | ||
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| template <> | ||
| constexpr std::initializer_list<char> lithium_species_name<0>{'l', 'i'}; | ||
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| /// ADAS effective ionisation (ADF11) | ||
| /// | ||
| /// @tparam level The ionisation level of the ion on the left of the reaction | ||
| template <int level> | ||
| struct ADASLithiumIonisation : public OpenADAS { | ||
| ADASLithiumIonisation(std::string, Options& alloptions, Solver*) | ||
| : OpenADAS(alloptions["units"], "scd96_li.json", "plt96_li.json", level, | ||
| -lithium_ionisation_energy[level]) {} | ||
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| void transform(Options& state) override { | ||
| calculate_rates( | ||
| state["species"]["e"], // Electrons | ||
| state["species"][lithium_species_name<level>], // From this ionisation state | ||
| state["species"][lithium_species_name<level + 1>] // To this state | ||
| ); | ||
| } | ||
| }; | ||
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| ///////////////////////////////////////////////// | ||
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| /// ADAS effective recombination coefficients (ADF11) | ||
| /// | ||
| /// @tparam level The ionisation level of the ion on the right of the reaction | ||
| template <int level> | ||
| struct ADASLithiumRecombination : public OpenADAS { | ||
| /// @param alloptions The top-level options. Only uses the ["units"] subsection. | ||
| ADASLithiumRecombination(std::string, Options& alloptions, Solver*) | ||
| : OpenADAS(alloptions["units"], "acd96_li.json", "prb96_li.json", level, | ||
| lithium_ionisation_energy[level]) {} | ||
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| void transform(Options& state) override { | ||
| calculate_rates( | ||
| state["species"]["e"], // Electrons | ||
| state["species"][lithium_species_name<level + 1>], // From this ionisation state | ||
| state["species"][lithium_species_name<level>] // To this state | ||
| ); | ||
| } | ||
| }; | ||
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| /// @tparam level The ionisation level of the ion on the right of the reaction | ||
| /// @tparam Hisotope The hydrogen isotope ('h', 'd' or 't') | ||
| template <int level, char Hisotope> | ||
| struct ADASLithiumCX : public OpenADASChargeExchange { | ||
| /// @param alloptions The top-level options. Only uses the ["units"] subsection. | ||
| ADASLithiumCX(std::string, Options& alloptions, Solver*) | ||
| : OpenADASChargeExchange(alloptions["units"], "ccd89_li.json", level) {} | ||
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| void transform(Options& state) override { | ||
| Options& species = state["species"]; | ||
| calculate_rates( | ||
| species["e"], // Electrons | ||
| species[lithium_species_name<level + 1>], // From this ionisation state | ||
| species[{Hisotope}], // and this neutral hydrogen atom | ||
| species[lithium_species_name<level>], // To this state | ||
| species[{Hisotope, '+'}] // and this hydrogen ion | ||
| ); | ||
| } | ||
| }; | ||
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| namespace { | ||
| // Ionisation by electron-impact | ||
| RegisterComponent<ADASLithiumIonisation<0>> register_ionisation_li0("li + e -> li+ + 2e"); | ||
| RegisterComponent<ADASLithiumIonisation<1>> register_ionisation_li1("li+ + e -> li+2 + 2e"); | ||
| RegisterComponent<ADASLithiumIonisation<2>> register_ionisation_li2("li+2 + e -> li+3 + 2e"); | ||
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| // Recombination | ||
| RegisterComponent<ADASLithiumRecombination<0>> register_recombination_li0("li+ + e -> li"); | ||
| RegisterComponent<ADASLithiumRecombination<1>> register_recombination_li1("li+2 + e -> li+"); | ||
| RegisterComponent<ADASLithiumRecombination<2>> register_recombination_li2("li+3 + e -> li+2"); | ||
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| // Charge exchange | ||
| RegisterComponent<ADASLithiumCX<0, 'h'>> register_cx_li0h("li+ + h -> li + h+"); | ||
| RegisterComponent<ADASLithiumCX<1, 'h'>> register_cx_li1h("li+2 + h -> li+ + h+"); | ||
| RegisterComponent<ADASLithiumCX<2, 'h'>> register_cx_li2h("li+3 + h -> li+2 + h+"); | ||
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| RegisterComponent<ADASLithiumCX<0, 'd'>> register_cx_li0d("li+ + d -> li + d+"); | ||
| RegisterComponent<ADASLithiumCX<1, 'd'>> register_cx_li1d("li+2 + d -> li+ + d+"); | ||
| RegisterComponent<ADASLithiumCX<2, 'd'>> register_cx_li2d("li+3 + d -> li+2 + d+"); | ||
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| RegisterComponent<ADASLithiumCX<0, 't'>> register_cx_li0t("li+ + t -> li + t+"); | ||
| RegisterComponent<ADASLithiumCX<1, 't'>> register_cx_li1t("li+2 + t -> li+ + t+"); | ||
| RegisterComponent<ADASLithiumCX<2, 't'>> register_cx_li2t("li+3 + t -> li+2 + t+"); | ||
| } // namespace | ||
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| #endif // ADAS_LITHIUM_H |
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