mckit-nuclides: tables with information on elements and nuclides

Maintained License PyPI - Python Version PyPI Documentation Status

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

Tests https://codecov.io/gh/MC-kit/mckit-nuclides/branch/master/graph/badge.svg?token=wlqoa368k8 pre-commit https://img.shields.io/endpoint?url=https://raw.githubusercontent.com/astral-sh/ruff/main/assets/badge/v2.json https://img.shields.io/endpoint?url=https://raw.githubusercontent.com/astral-sh/uv/main/assets/badge/v0.json

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

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