A Rust interface for SandiaDecay C++ library, used to calculate nuclear decays and emissions.

Disclaimer

This crate is not coordinated nor endorsed by SandiaDecay. This is a completely separate effort.

This library can

• Query Element information:
  • Identification (symbol, name)
  • Naturally occurring isotopes and their abundances
  • List of flouresence x-rays (if database happen to contain them)
• Query Nuclide information:
  • Identification (symbol, mass number $A$)
  • Mass
  • Half-life $T_{1/2}$
  • Children Transitions (i.e. decay branches)
  • Parents Transitions (i.e. creating branches)
• Predict nuclide mixture evolution:
  • nuclide activities at time $t$
  • energies and intensities of various ProductTypess (notably, $\gamma$ and x-ray) at the time $t$
  • energies and counts of various ProductTypess in the time interval $[t; t + l]$
  • evolution equation (functions describing abundance of each nuclide over time)

Build

This crate has multiple build options. See detailed instructions at [building].

After choosing your option, add

# Cargo.toml
sdecay = "0.2"

Safety

As an FFI crate, safety is a big concern. See [safety] for notes on safety design.

Walkthrough

Database file

SandiaDecay uses it's own database xml-based database format, and I'm not really sure how you'd go about creating it yourself. Library's repository provides several versions, so you need to pick one before using the crate.

Constructing a database

Database file is required in some form to construct a Database. There are several options to go about this:

• Download database yourself, and
  • obtain database file bytes^{1 2}, and use from_bytes-like constructor
  • get a path to database file, and use from_path-like constructor
  • store a path to database file in the SANDIA_DATABASE_PATH environment variable, and use from_env-like constructor
• Enable one of database* features and construct it directly via corresponding method. Note, that this approach will download the database from GitHub before compilation, and embed it into your binary, so expect for build to take some time.

For example, assuming you have a database (or a symlink to it) in your current directory named sandia.decay.xml, here is how you would construct it:

# #[cfg(feature = "alloc")] {
# use sdecay::Database;
let database = Database::from_path("sandia.decay.xml").unwrap();
# }

Querying for info

Element

See element function

Element is queried for with ElementSpec implementors, notably:

• by name as &[str] (or other text-related type, like &CStr, &OsStr)
• atomic number (i.e. number of protons) as i32 (or smaller integer, like i16, u16, etc)
• atomic number, but constructed by [element] macro:

# use sdecay::element;
element!(H);
element!(k);
element!(Pu);
element!(mo);

Database returns Element structure, containing all of the element info:

• Symbol
• Name
• Naturally occurring isotopes and their abundances (as a list of NuclideAbundancePair)
• List of flouresence x-rays (as a list of EnergyIntensityPair)

Code pretty-printing isotopes and xrays fields can be found in the doc-example. Here's their output for W (Tungsten):

 0.130% of W180
26.300% of W182
14.300% of W183
30.670% of W184
28.600% of W186

58.0 keV (0.578 relative intensity)
59.3 keV (1.000 relative intensity)
67.2 keV (0.338 relative intensity)
69.1 keV (0.086 relative intensity)

Nuclide

See nuclide function

Nuclide is queried for with NuclideSpec implementors, notably:

• by symbol as &[str] (or other text-related type, like &CStr, &OsStr)
• NumSpec (i.e. numeric identification on nuclide)
• NumSpec, but constructed by [nuclide] macro:

# use sdecay::nuclide;
nuclide!(H-2);
nuclide!(k-40);
nuclide!(Pu-239);
nuclide!(mo-95);

Database returns Nuclide structure, containing all of the nuclide info:

• Symbol
• Mass number $A$
• Mass (in a.m.u.)
• Half-life $T_{1/2}$
• Children Transitions
• Parent Transitions

Code for pretty-printing decays_to_children and decay_from_parents fields can be found in the doc-example. Here's their output for ${}^{247}\text{Es}$:

> 0.50: \text{Fm247m}(EC) -> \text{Es247} + \nu
> 0.10: \text{Md251} -> \text{Es247} + \alpha
| 1.00 of AlphaParticle at 7550.00 keV
> 0.50: \text{Fm247}(EC) -> \text{Es247} + \nu
< 0.93: \text{Es247}(EC) -> \text{Cf247} + \nu
< 0.07: \text{Es247} -> \text{Bk243m} + \alpha
| 0.02 of AlphaParticle at 7213.00 keV
| 0.12 of AlphaParticle at 7275.00 keV
| 0.86 of AlphaParticle at 7323.00 keV
< 0.07: \text{Es247} -> \text{Bk243} + \alpha
| 0.02 of AlphaParticle at 7213.00 keV
| 0.12 of AlphaParticle at 7275.00 keV
| 0.86 of AlphaParticle at 7323.00 keV

Constructing a mixture

Empty mixture can be constructed with new/new_in functions:

# #[cfg(feature = "alloc")] {
# use sdecay::Mixture;
let mixture = Mixture::new();
# }

Next, mixture should be populated with nuclides by calling add_nuclide (alternatively, add_aged_nuclide_by_activity or add_nuclide_by_abundance).

Let's add $1 \mu \text{Ci}$ of ${}^{40}\text{K}$ to it:

# #[cfg(feature = "alloc")] {
# use sdecay::{Database, Mixture, nuclide, wrapper::NuclideActivityPair, cst::Ci};
# const DATABASE_PATH: &str = env!("SANDIA_DATABASE_PATH");
# let database = Database::from_path(DATABASE_PATH).unwrap();
# let mut mixture = Mixture::new();
let k40 = database.nuclide(nuclide!(k - 40));
assert!(mixture.add_nuclide(NuclideActivityPair {
    nuclide: k40,
    activity: 1e-6 * Ci
}));
# }

If debug-printed now, mixture would show the following:

GenericMixture(BoxContainer(NuclideMixture { K40: 3.70e4 Bq }))

There are other ways to add a nuclide to the mixture:

• nuclide can be pre-aged (add_aged_nuclide_by_activity, add_aged_nuclide_by_num_atoms)

# #[cfg(feature = "alloc")] {
# use sdecay::{Database, Mixture, nuclide, wrapper::NuclideActivityPair, cst::{Ci, second}};
# const DATABASE_PATH: &str = env!("SANDIA_DATABASE_PATH");
# let database = Database::from_path(DATABASE_PATH).unwrap();
# let mut mixture = Mixture::new();
let rn220 = database.nuclide(nuclide!(Rn - 220));
mixture
    .add_aged_nuclide_by_activity(rn220, 1e-6 * Ci, 10.0 * second)
    .unwrap();
# }

GenericMixture(BoxContainer(NuclideMixture { Tl208: 2.96e-5 Bq, Pb208: NaN Bq, Pb212: 6.99e0 Bq, Bi212: 6.66e-3 Bq, Po212: 4.

• nuclide can be added in a "secular equilibrium" (add_nuclide_in_secular_equilibrium)

# #[cfg(feature = "alloc")] {
# use sdecay::{Database, Mixture, nuclide, wrapper::NuclideActivityPair, cst::Ci};
# const DATABASE_PATH: &str = env!("SANDIA_DATABASE_PATH");
# let database = Database::from_path(DATABASE_PATH).unwrap();
# let mut mixture = Mixture::new();
let ar42 = database.nuclide(nuclide!(Ar - 42));
mixture
    .add_nuclide_in_secular_equilibrium(ar42, 1e-6 * Ci)
    .unwrap();
# }

GenericMixture(BoxContainer(NuclideMixture { Ar42: 3.70e4 Bq }))

• nuclide can be added in a "prompt equilibrium" (add_nuclide_in_prompt_equilibrium)

# #[cfg(feature = "alloc")] {
# use sdecay::{Database, Mixture, nuclide, wrapper::NuclideActivityPair, cst::Ci};
# const DATABASE_PATH: &str = env!("SANDIA_DATABASE_PATH");
# let database = Database::from_path(DATABASE_PATH).unwrap();
# let mut mixture = Mixture::new();
let u238 = database.nuclide(nuclide!(U - 238));
assert!(mixture.add_nuclide_in_prompt_equilibrium(u238, 1e-6 * Ci));
# }

GenericMixture(BoxContainer(NuclideMixture { U238: 3.70e4 Bq, Th234: 3.70e4 Bq, Pa234m: 3.70e4 Bq }))

Calculating mixture evolution

Activities

See activities

# #[cfg(feature = "alloc")] {
# use sdecay::{Database, Mixture, nuclide, wrapper::NuclideActivityPair, cst::{Ci, hour}};
# const DATABASE_PATH: &str = env!("SANDIA_DATABASE_PATH");
# let database = Database::from_path(DATABASE_PATH).unwrap();
# let mut mixture = Mixture::new();
let rn221 = database.nuclide(nuclide!(Rn - 221));
assert!(mixture.add_nuclide(NuclideActivityPair {
    nuclide: rn221,
    activity: 1e-6 * Ci
}));
for NuclideActivityPair { nuclide, activity } in mixture.activities(hour).iter() {
    println!("{:9.3e} Ci of {}", activity / Ci, nuclide.symbol);
}
# }

  0.000e0 Ci of Tl205
 4.244e-9 Ci of Tl209
 2.675e-8 Ci of Pb209
4.127e-32 Ci of Bi209
 5.541e-8 Ci of Pb213
 2.030e-7 Ci of Bi213
 1.985e-7 Ci of Po213
 3.793e-8 Ci of Po217
 1.836e-7 Ci of At217
 1.895e-7 Ci of Rn221
 1.836e-7 Ci of Fr221

Decay particles

See decay_particles

For $\gamma$:

# #[cfg(feature = "alloc")] {
# use sdecay::{Database, Mixture, nuclide, wrapper::{NuclideActivityPair, EnergyRatePair, HowToOrder, ProductType}, cst::{Ci, keV, hour}};
# const DATABASE_PATH: &str = env!("SANDIA_DATABASE_PATH");
# let database = Database::from_path(DATABASE_PATH).unwrap();
# let mut mixture = Mixture::new();
let ar42 = database.nuclide(nuclide!(Ar - 42));
assert!(mixture.add_nuclide(NuclideActivityPair {
    nuclide: ar42,
    activity: 1e-6 * Ci
}));
for EnergyRatePair {
    energy,
    num_per_second,
} in &mixture.decay_particle(
    hour,
    ProductType::GammaParticle,
    HowToOrder::OrderByAbundance,
) {
    println!("{:7.3e} keV at {:.2e}/second", energy / keV, num_per_second);
}
# }

1.525e3 keV at 3.79e2/second
3.126e2 keV at 7.06e0/second
8.997e2 keV at 1.09e0/second
1.921e3 keV at 8.68e-1/second
1.021e3 keV at 4.24e-1/second
2.424e3 keV at 4.24e-1/second
6.920e2 keV at 6.57e-2/second
1.228e3 keV at 4.74e-2/second

For $e^{-}$:

# #[cfg(feature = "alloc")] {
# use sdecay::{Database, Mixture, nuclide, wrapper::{NuclideActivityPair, EnergyRatePair, HowToOrder, ProductType}, cst::{Ci, keV, hour}};
# const DATABASE_PATH: &str = env!("SANDIA_DATABASE_PATH");
# let database = Database::from_path(DATABASE_PATH).unwrap();
# let mut mixture = Mixture::new();
# let ar42 = database.nuclide(nuclide!(Ar - 42));
# assert!(mixture.add_nuclide(NuclideActivityPair {
#     nuclide: ar42,
#     activity: 1e-6 * Ci
# }));
for EnergyRatePair {
    energy,
    num_per_second,
} in &mixture.decay_particle(
    hour,
    ProductType::BetaParticle,
    HowToOrder::OrderByAbundance,
) {
    println!("{:7.3e} keV at {:.2e}/second", energy / keV, num_per_second);
}
# }

5.990e2 keV at 3.70e4/second
3.525e3 keV at 1.65e3/second
2.001e3 keV at 3.56e2/second
1.688e3 keV at 6.86e0/second
7.851e1 keV at 1.41e0/second
1.101e3 keV at 1.01e0/second

Decay particles in interval

See decay_particles_in_interval

For $\tilde{\nu}$:

# #[cfg(feature = "alloc")] {
# use sdecay::{Database, Mixture, nuclide, wrapper::{NuclideActivityPair, EnergyCountPair, HowToOrder, ProductType}, cst::{Ci, keV, day}};
# const DATABASE_PATH: &str = env!("SANDIA_DATABASE_PATH");
# let database = Database::from_path(DATABASE_PATH).unwrap();
# let mut mixture = Mixture::new();
let c10 = database.nuclide(nuclide!(c - 9));
assert!(mixture.add_nuclide(NuclideActivityPair {
    nuclide: c10,
    activity: 1e-6 * Ci
}));
for EnergyCountPair { energy, count } in &mixture.decay_particles_in_interval(
    0.0,
    day,
    ProductType::CaptureElectronParticle,
    HowToOrder::OrderByEnergy,
    1000,
) {
    println!("{:7.3e} keV at {:.2e}", energy / keV, count);
}
# }

1.840e3 keV at 2.41e-52
2.485e3 keV at 6.35e-52
4.335e3 keV at 2.09e-51
1.371e4 keV at 3.87e-53
1.415e4 keV at 1.84e-52
1.649e4 keV at 1.97e-52

For $e^{+}$:

# #[cfg(feature = "alloc")] {
# use sdecay::{Database, Mixture, nuclide, wrapper::{NuclideActivityPair, EnergyCountPair, HowToOrder, ProductType}, cst::{Ci, keV, day}};
# const DATABASE_PATH: &str = env!("SANDIA_DATABASE_PATH");
# let database = Database::from_path(DATABASE_PATH).unwrap();
# let mut mixture = Mixture::new();
# let c10 = database.nuclide(nuclide!(c - 9));
# assert!(mixture.add_nuclide(NuclideActivityPair {
#     nuclide: c10,
#     activity: 1e-6 * Ci
# }));
for EnergyCountPair { energy, count } in &mixture.decay_particles_in_interval(
    0.0,
    day,
    ProductType::PositronParticle,
    HowToOrder::OrderByEnergy,
    1000,
) {
    println!("{:7.3e} keV at {:.2e}", energy / keV, count);
}
# }

8.178e2 keV at 6.35e-50
1.463e3 keV at 1.02e-48
3.313e3 keV at 3.74e-47
1.269e4 keV at 3.68e-47
1.313e4 keV at 1.93e-46
1.547e4 keV at 3.43e-46

Reading equations

See decayed_to_nuclides_evolutions

Returned vector contains NuclideTimeEvolutions, each describing evolution of a Nuclide. Evolution is described as a vector of additive terms, each being of form $\text{term\_coeff} \cdot \exp(- \text{exponential\_coeff} \cdot \text{t})$

doc-example contains a bunch of code to pretty-print terms for 1$\mu \text{Ci}$ of ${}^{24}\text{Ne}$:

N(Ne24, t) = 1.083e7 * exp(+3.418e-3 * t) + 1.083e7 * exp(+3.418e-3 * t)
N(Na24, t) = -1.086e7 * exp(+3.418e-3 * t) + -1.086e7 * exp(+3.418e-3 * t) + 1.086e7 * exp(+1.284e-5 * t) + 1.077e3 * exp(+3.435e1 * t)
N(Na24m, t) = 1.077e3 * exp(+3.418e-3 * t) + 1.077e3 * exp(+3.418e-3 * t) + -1.077e3 * exp(+3.435e1 * t)
N(Mg24, t) = 3.539e4 * exp(+3.418e-3 * t) + 3.539e4 * exp(+3.418e-3 * t) + -1.086e7 * exp(+1.284e-5 * t) + 5.383e-1 * exp(+3.435e1 * t) + 1.083e7 * exp(+0.000e0 * t)