Add Bonkile2024 Parameter Set

[Dharshannan]

Description

This PR adds the Mayur2024 lithium-ion parameter set as a built-in PyBaMM parameter set and registers it through the pybamm_parameter_sets entry-point mechanism.

The implementation includes:

• Addition of the Mayur2024 parameter set and supporting data files.
• Registration of the parameter set within pyproject.toml.
• Addition of the required package structure and exports so that the parameter set can be loaded through the standard PyBaMM interface.

The new parameter set can now be accessed directly using

param = pybamm.ParameterValues("Mayur2024")

in the same manner as existing parameter sets such as Chen2020 and OKane2022.

Motivation

This change enables the direct use of the parameter set without requiring manual imports or user-side registration. Integrating the parameter set into the existing entry-point framework ensures consistency with the rest of the PyBaMM ecosystem and simplifies model development and reproducibility.

Type of change

• Feature

Checklist

• No style issues (nox -s pre-commit)
• All tests pass (nox -s tests)
• Documentation builds successfully (nox -s doctests)
• Code has been commented where necessary
• Tests have been added to verify correct registration and loading of the parameter set

[codecov]

Codecov Report

✅ All modified and coverable lines are covered by tests.
✅ Project coverage is 98.21%. Comparing base (d63699d) to head (a93b7b6).
⚠️ Report is 20 commits behind head on main.

Additional details and impacted files

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  Files         339      341     +2     
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+ Hits        31424    32282   +858     
- Misses        572      587    +15     

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[Dharshannan]

Closing PR as no response.

[rtimms]

Reopening — this is a useful contribution, but the citation wiring needs fixing before it can go in. Sorry for the slow response.

The main issue: the publication these parameters actually come from is never registered as a citation.

1. The source paper is not cited

The get_parameter_values() docstring names the source in plain prose:

Beginning-of-life and degradation … parameters … are taken from the supplementary information of Bonkile et al., "Is silicon worth it? Modelling degradation in composite silicon/graphite lithium-ion battery electrodes"

But the registered list is:

"citations": ["Chen2020", "Ai2022", "OKane2022", "OKane2020", "Ai2020"],

Bonkile 2024 is absent, and there is no Bonkile2024 key in packages/pybamm/src/pybamm/CITATIONS.bib. So pybamm.print_citations() lists the upstream papers the parameters derive from, but never the paper they were actually taken from — which is the one a user of this set needs to cite.

Please add to CITATIONS.bib (alphabetically, between Beeckman1990 and BrosaPlanella2021):

@article{Bonkile2024,
  title   = {Is silicon worth it? Modelling degradation in composite silicon--graphite lithium-ion battery electrodes},
  journal = {Journal of Power Sources},
  volume  = {606},
  pages   = {234256},
  year    = {2024},
  issn    = {0378-7753},
  doi     = {https://doi.org/10.1016/j.jpowsour.2024.234256},
  url     = {https://www.sciencedirect.com/science/article/pii/S0378775324002076},
  author  = {Mayur P. Bonkile and Yang Jiang and Niall Kirkaldy and Valentin Sulzer and Robert Timms and Huizhi Wang and Gregory Offer and Billy Wu}
}

then put "Bonkile2024" first in the citations list, and change the docstring prose to :footcite:t:`Bonkile2024` so it renders like the neighbouring references.

2. Ai2020 is not a valid citation key, and it breaks the whole citation print

CITATIONS.bib has Ai2019 and Ai2022 — there is no Ai2020. The existing Ai2020.py parameter set registers "citations": ["Ai2019"].

So this key falls through _parse_citation into _unknown_citations, and pybamm.print_citations() emits Citation with key "Ai2020" is invalid. Worse, the except KeyError in Citations.print sits outside the for key in self._unknown_citations loop, so one bad key aborts parsing of every remaining unknown citation. Should be Ai2019.

3. The same bad key breaks the docs build

The docstring contains :footcite:t:`Ai2020`, which sphinxcontrib-bibtex cannot resolve — broken reference in the API docs. nox -s doctests doesn't build the docs, so the checklist wouldn't have caught it.

4. Yang2017 is cited in prose but not registered

The docstring attributes the SEI parameters to :footcite:t:`Yang2017` (that key does exist in CITATIONS.bib), but it's missing from the citations list. Please add it.

5. The parameter set is named after the first author's given name

Mayur2024 — the author is Mayur P. Bonkile. Every other set here is surname+year (Chen2020, OKane2022, ORegan2022, BrosaPlanella2022). This should be Bonkile2024.

This is more than cosmetic: the name is the entry-point key in pyproject.toml and the public pybamm.ParameterValues("…") string, so renaming it after a release is a breaking change. Better to get it right now.

Minor

• input/parameters/lithium_ion/__init__.py: 'Xu2019', 'Mayur2024', ] has a trailing comma plus a space before ], and the list is otherwise alphabetical — it belongs after 'Marquis2019'.

• In the returned dict:

  "Electrolyte conductivity [S.m-1]"
  "": electrolyte_conductivity_Nyman2008_arrhenius,

  That's an implicit string concatenation, so the key ends up as "Electrolyte conductivity [S.m-1]" via a two-part literal rather than as written. Looks like a bad reflow — please make it a single key on one entry.

[rtimms]

@Dharshannan, thanks for this contribution! In future feel free to ping specific people for review - due to the increasing number of PRs, things sometimes get buried in the noise of GitHub notifications.

[Dharshannan]

@rtimms I have revised the PR as per your review. Please feel free to accept and merge. Thank you.