mckit-nuclides 0.6.0

Python tools to work with elements and nuclides

Contents

• Description

• Contributing

• Notes

• References

Description

The module presents basic information on chemical elements and nuclides including natural presence. The data is organized as Polars tables. Polars allows efficient data joining and selecting on huge datsets produced in computations like [1].

More details in documentation.

Contributing

Some specific: in development environment we use uv, just, ruff.

To setup development environment, run:

just install | reinstall

To build documentation, run:

just docs        # - for local online docs rendering, while editing
just docs-build  # - to build documentation

To release, run:

just bump [major|minor|patch]  # - in `devel` branch

Then merge devel to master (via Pull Request) and if all the checks are passed create Release. Manually.

Notes

Half lives are extracted from [5].

References

1. Y. Chen and U. Fischer, “Rigorous mcnp based shutdown dose rate calculations: computational scheme, verification calculations and application to ITER” Fusion Engineering and Design, vol. 63–64, pp. 107–114, Dec. 2002, doi: 10.1016/S0920-3796(02)00144-8.

2. Kim, Sunghwan, Gindulyte, Asta, Zhang, Jian, Thiessen, Paul A. and Bolton, Evan E.. “PubChem Periodic Table and Element pages: improving access to information on chemical elements from authoritative sources” Chemistry Teacher International, vol. 3, no. 1, 2021, pp. 57-65. https://doi.org/10.1515/cti-2020-0006

3. Elements table. https://pubchem.ncbi.nlm.nih.gov/rest/pug/periodictable/CSV

4. Coursey, J.S., Schwab, D.J., Tsai, J.J., and Dragoset, R.A. (2018-06-14), Atomic Weights and Isotopic Compositions (version 4.1). [Online] Available: http://physics.nist.gov/Comp [year, month, day]. National Institute of Standards and Technology, Gaithersburg, MD.

5. JEFF-3.3 radioactive decay data file https://www.oecd-nea.org/dbdata/jeff/jeff33/downloads/JEFF33-rdd_all.asc