Materials

Build materials from chemical formulas, inspect fractions, mix, and export XML.

Nucleide models a material as a map from canonical nuclide identifiers to masses. From that compact representation it can derive atom fractions, weight fractions, and serializations used by transport codes.

From a chemical formula

The formula parser understands element symbols, parentheses, and hydrates. For example, H2O expands to natural hydrogen and natural oxygen using AME2020 masses and natural abundances.

Browse the Materials Compendium

The full DOE/PNNL Materials Compendium — hundreds of named materials with isotope-level weight fractions — is fetched as JSON and parsed in your browser by Nucleide’s WASM build, using the same MaterialsCompendium API available in Python. Pick a material to inspect its composition.

Atom vs. weight fractions

For a material with stored masses $m_i$:

where $M_i$ is the atomic mass of nuclide $i$. The demo above computes both and plots them as grouped horizontal bars.

Mixing materials

Material::mix_by_mass combines materials using relative mass weights. The fractions do not need to sum to one; they are normalized internally.

XML export

The to_xml(name, density) method produces an OpenMC-style material XML fragment, including the canonical nuclide list, densities, and mass fractions.

See also

• Tutorial: Build materials
• Theory: Nuclear data
• Crate docs: crates/material/src/lib.rs